
###########################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
###########################################################################
#
#  This CIF contains data generated directly from one or more entries in
#  the Cambridge Structural Database and will include bibliographic, 
#  chemical, crystal, experimental, refinement, and atomic coordinate data,
#  as available.
#     
#  Copyright  2014  The Cambridge Crystallographic Data Centre
# 
#  This CIF is provided on the understanding that it is used for bona fide 
#  research purposes only.  It may contain copyright material of the CCDC
#  or of third parties, and may not be copied or further disseminated in 
#  any form, whether machine-readable or not, except for the purpose of 
#  generating routine backup copies on your local computer system.
# 
#  For further information about the CCDC, data deposition and data 
#  retrieval see <www.ccdc.cam.ac.uk>. Bona fide researchers may freely 
#  download  Mercury and enCIFer from this site to visualise CIF-encoded 
#  structures and to carry out CIF format checking respectively.
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###########################################################################

data_CSD_CIF_SOBWOW
_audit_creation_date 2008-10-28
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD SOBWOW
_database_code_depnum_ccdc_archive 'CCDC 677156'
_chemical_formula_sum 'C206 H224 Cl26 F5 N36 O46.5'
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_Int_Tables_number 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
_cell_length_a 22.460(3)
_cell_length_b 24.252(4)
_cell_length_c 24.970(4)
_cell_angle_alpha 76.770(7)
_cell_angle_beta 89.903(8)
_cell_angle_gamma 73.669(8)
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
Cl 0.87
F 0.64
N 0.68
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cl1 Cl 0.3469(2) 0.92826(18) 0.12056(19)
F1 F 0.4687(4) 0.7175(2) 0.7585(3)
F2 F 0.3479(3) 0.8666(2) 0.8197(3)
F3 F 0.2224(4) 0.8401(4) 0.7443(3)
Cl2 Cl 0.6499(3) 0.9107(3) 0.7741(3)
Cl3 Cl 0.2622(3) 0.8932(3) 0.1978(3)
N1 N 0.2465(6) 0.9308(4) 0.8584(4)
N2 N 0.4210(5) 0.9135(4) 0.7513(4)
Cl4 Cl 0.7600(3) 0.8379(3) 0.8438(3)
F4 F 0.3685(4) 0.5918(3) 0.8312(3)
N3 N 0.4278(6) 0.8924(4) 0.9179(4)
F5 F 0.1950(4) 0.6995(3) 0.8537(3)
Cl5 Cl 0.6021(4) 0.4176(3) 0.6053(3)
Cl6 Cl 0.6958(3) 0.7840(3) 0.7823(3)
O1 O 0.4642(5) 1.0484(4) 0.8393(4)
N4 N 0.1874(5) 0.8721(5) 0.9262(4)
C1 C 0.4017(8) 1.0013(6) 0.8950(6)
N5 N 0.4816(4) 0.7899(4) 0.8925(4)
N6 N 0.4962(5) 0.8215(5) 0.7266(4)
N7 N 0.2077(5) 0.7721(5) 0.9650(4)
O2 O 0.1971(5) 1.1139(4) 0.8089(4)
C2 C 0.2800(7) 0.9609(6) 0.8254(5)
C3 C 0.3906(7) 0.9480(5) 0.9231(5)
N8 N 0.1250(7) 0.8927(5) 0.7906(5)
Cl7 Cl 0.1936(4) 0.9158(4) 0.4129(4)
Cl8 Cl 0.2518(4) 1.0145(3) 0.1562(3)
N9 N 0.3344(6) 0.8942(4) 0.9875(5)
N10 N 0.5388(6) 0.6157(5) 0.7442(4)
N11 N 0.2373(5) 0.6734(5) 0.9944(5)
O3 O 0.2415(6) 0.9225(6) 1.0270(5)
C4 C 0.2683(7) 1.0215(5) 0.8091(5)
N12 N 0.4765(8) 0.5437(5) 0.7859(5)
C5 C 0.3335(7) 0.9261(6) 0.8055(5)
C6 C 0.3387(7) 0.9503(6) 0.9577(5)
C7 C 0.4742(7) 0.8919(5) 0.8862(5)
N13 N 0.4638(5) 0.7015(5) 0.9094(4)
C8 C 0.4922(7) 0.9420(7) 0.8598(6)
N14 N 0.3567(7) 0.7829(5) 1.0433(5)
O4 O 0.5607(5) 0.8268(4) 0.8522(4)
N15 N 0.1208(7) 0.7789(8) 0.7003(5)
O5 O 0.4758(4) 0.9743(4) 0.7050(4)
C9 C 0.5114(7) 0.8716(6) 0.7079(5)
Cl9 Cl 0.6970(4) 0.4231(4) 0.6750(4)
N16 N 0.1045(6) 0.8003(7) 0.8483(5)
O6 O 0.4818(5) 0.5187(4) 0.9326(4)
O7 O 0.3327(7) 0.3527(6) 0.8728(4)
N17 N 0.2914(9) 0.8949(6) 0.6771(5)
Cl10 Cl 0.3018(4) 0.8639(4) 0.3599(4)
N18 N 0.3370(8) 0.5856(5) 0.9827(5)
O8 O 0.5254(6) 0.3654(5) 0.7855(4)
C10 C 0.3716(7) 0.9508(6) 0.7710(5)
O9 O 0.1128(7) 0.9559(5) 0.9304(5)
N19 N 0.1274(7) 0.8770(6) 0.6312(6)
C11 C 0.3009(7) 1.0026(6) 0.9620(5)
O10 O 0.1922(7) 0.6050(5) 1.0440(5)
C12 C 0.1979(8) 0.9632(6) 0.8757(5)
N20 N 0.3805(7) 0.8281(8) 0.6356(5)
O11 O 0.4558(5) 0.9363(5) 1.0409(4)
N21 N 0.1897(7) 0.5922(7) 0.9055(5)
Cl11 Cl 0.8909(5) 0.9196(4) 0.7681(4)
C13 C 0.5354(8) 0.7721(9) 0.7156(6)
C14 C 0.3572(7) 1.0148(5) 0.7549(5)
C15 C 0.0619(10) 0.8458(9) 0.8478(6)
C16 C 0.2069(8) 0.8978(8) 0.7324(6)
C17 C 0.5000(7) 0.7319(6) 0.8875(6)
N22 N 0.4359(6) 0.6172(4) 0.9339(4)
C18 C 0.3033(9) 0.8185(8) 1.0499(5)
C19 C 0.3598(9) 1.0545(6) 0.8996(6)
C20 C 0.4565(13) 0.4452(7) 0.8095(7)
O12 O 0.2449(5) 1.0794(6) 0.6433(4)
N23 N 0.2915(9) 0.5312(6) 0.8721(5)
C21 C 0.1357(8) 0.7321(9) 1.0229(6)
C22 C 0.2100(8) 1.0547(6) 0.8279(6)
N24 N 0.2456(8) 0.5926(8) 0.7249(5)
C23 C 0.1766(6) 1.0255(7) 0.8613(6)
C24 C 0.5641(7) 0.8755(7) 0.6764(6)
C25 C 0.5476(9) 0.4587(7) 0.7645(7)
C26 C 0.3112(9) 1.0551(6) 0.9307(6)
C27 C 0.2555(8) 0.8033(8) 1.0826(6)
C28 C 0.5601(9) 0.6648(6) 0.7224(6)
N25 N 0.4057(6) 0.7271(9) 0.6383(5)
C29 C 0.3071(7) 1.0475(5) 0.7755(6)
O13 O 0.0241(6) 0.8269(5) 0.7245(5)
N26 N 0.2201(8) 0.8669(7) 0.5624(6)
C30 C 0.4773(8) 0.6460(7) 0.9080(5)
Cl12? Cl 0.9089(5) 0.7916(5) 0.8080(5)
C31 C 0.0975(9) 0.7462(9) 0.8789(5)
C32 C 0.1877(11) 0.9233(12) 0.5678(6)
Cl13 Cl 0.8169(6) 0.8625(5) 0.7203(5)
N27 N 0.5378(7) 0.7843(6) 1.0232(5)
O14 O 0.6539(6) 0.8246(5) 0.6386(5)
C33 C 0.5578(7) 0.7061(7) 0.8638(5)
N28 N 0.4981(7) 0.8908(6) 1.0532(5)
C34 C 0.5146(8) 1.0473(6) 0.8030(6)
C35 C 0.5116(9) 0.8332(6) 0.8754(6)
C36 C 0.3611(11) 0.4396(7) 0.8520(6)
C37 C 0.2394(9) 0.9289(9) 0.6993(7)
C38 C 0.3854(11) 0.5326(7) 0.8297(7)
C39 C 0.5687(8) 0.6484(7) 0.8633(6)
O15 O 0.4176(8) 0.6835(6) 0.4776(5)
O16 O 0.4161(6) 0.9057(6) 0.5947(5)
C40 C 0.1662(8) 0.8254(7) 0.9608(5)
O17 O 0.0101(7) 1.0430(7) 0.6402(5)
C41 C 0.3465(11) 0.5027(7) 0.8520(6)
C42 C 0.5056(9) 1.1113(7) 0.7703(6)
N29 N 0.468(1) 0.7114(5) 1.0418(5)
C43 C 0.3883(9) 0.5426(6) 0.9738(6)
N30 N 0.4203(6) 0.6297(8) 0.6462(5)
Cl14 Cl 0.6566(5) 0.5110(5) 0.5688(5)
C44 C 0.2223(10) 0.9922(9) 0.6874(6)
C45 C 0.5900(7) 0.7699(7) 0.6860(6)
C46 C 0.1362(7) 0.9896(9) 0.7438(6)
C47 C 0.1417(10) 0.6965(9) 0.8814(7)
O18 O 0.3024(6) 0.8845(6) 0.5135(4)
O19 O 0.5500(6) 0.6349(6) 1.0327(5)
C48 C 0.2908(10) 0.5716(7) 1.0097(7)
C49 C 0.3657(11) 0.7055(10) 0.5035(8)
N31 N 0.1795(9) 0.6835(9) 0.7183(5)
C50 C 0.4386(10) 0.5090(7) 0.8075(6)
C51 C 0.5286(10) 0.5197(7) 0.7644(7)
C52 C 0.2613(13) 0.4383(8) 0.8958(8)
O20 O 0.2191(9) 0.7226(7) 1.1399(5)
C53 C 0.3145(14) 0.704(1) 1.0957(7)
C54 C 0.4676(7) 0.9249(6) 0.7203(6)
C55 C 0.4562(8) 0.9976(6) 0.8626(6)
C56 C 0.2355(9) 0.6162(7) 1.0188(7)
C57 C 0.3239(10) 0.9227(10) 0.6469(8)
C58 C 0.1398(8) 0.6408(9) 0.9051(6)
C59 C 0.3641(11) 0.7231(7) 1.0684(6)
C60 C 0.1561(8) 0.9262(8) 0.7546(6)
C61 C 0.5222(8) 0.7170(6) 0.7318(6)
C62 C 0.1593(9) 0.9308(7) 0.9145(6)
C63 C 0.3905(9) 0.4811(6) 0.9933(7)
C64 C 0.1931(9) 0.7245(8) 0.9949(6)
C65 C 0.0357(7) 0.9363(10) 0.6676(7)
N32 N 0.359(1) 0.5496(7) 0.6877(6)
C66 C 0.0995(9) 0.7844(10) 1.0178(7)
C67 C 0.1368(9) 1.1494(6) 0.8198(8)
C68 C 0.2854(11) 0.8857(8) 1.0215(6)
C69 C 0.6143(8) 0.6663(7) 0.6952(7)
C70 C 0.1107(7) 0.8351(7) 0.9868(6)
C71 C 0.4394(10) 0.5570(7) 0.9464(6)
N33 N 0.0729(9) 0.7693(13) 0.5736(7)
O21 O 0.5004(8) 0.5584(7) 0.6257(6)
O22 O 0.6120(7) 0.5429(4) 0.7156(6)
C72 C 0.2706(8) 0.9480(6) 0.1400(8)
C73 C 0.4212(9) 0.7777(9) 0.6216(6)
C74 C 0.6007(9) 0.8296(8) 0.6626(7)
C75 C 0.5309(8) 0.6165(6) 0.8856(6)
C76 C 0.0774(11) 0.8838(11) 0.6640(7)
C77 C 0.565(1) 0.5600(9) 0.7397(6)
C78 C 0.0842(9) 0.6980(13) 0.7610(7)
O23 O 0.0328(6) 0.9564(6) 0.8098(5)
C79 C 0.3772(10) 0.8884(9) 0.6239(7)
O24 O 0.5036(6) 0.8556(5) 1.0963(5)
N34 N 0.1790(11) 0.6895(7) 0.5818(5)
C80 C 0.4936(11) 0.6789(9) 0.5994(7)
C81 C 0.0043(9) 0.8512(9) 0.8763(7)
C82 C 0.0189(14) 0.8149(13) 0.5751(8)
C83 C 0.3135(11) 0.9881(9) 0.6320(6)
C84 C 0.5473(7) 0.8817(7) 1.0170(6)
O25 O 0.2368(7) 0.4983(6) 0.7513(5)
C85 C 0.2881(10) 0.5106(7) 1.0284(7)
C86 C 0.5144(11) 0.4228(8) 0.7843(7)
C87 C 0.4198(13) 0.6874(8) 1.0614(6)
C88 C 0.189(1) 0.6271(11) 0.7402(7)
C89 C 0.4724(12) 0.7814(10) 0.5940(7)
Cl15 Cl 0.6933(7) 0.5143(5) 0.8342(6)
O26 O 0.6998(7) 0.7433(7) 0.9425(7)
C90 C 0.4402(9) 0.6767(10) 0.6276(6)
C91 C -0.0017(8) 0.7984(12) 0.9042(7)
C92 C 0.3494(10) 0.7678(11) 0.5035(6)
O27 O 0.1372(9) 0.6157(7) 0.6191(6)
C93 C 0.2662(12) 0.5338(9) 0.7292(8)
C94 C 0.1369(9) 0.9287(10) 0.6006(8)
C95 C 0.2538(13) 0.5016(9) 0.8919(8)
C96 C 0.041(1) 0.6845(12) 0.9343(7)
C97 C 0.1718(11) 1.0195(8) 0.7103(10)
C98 C 0.3163(14) 0.4094(8) 0.8741(8)
C99 C 0.0434(10) 0.7430(9) 0.9063(7)
C100 C 0.5115(8) 0.7314(12) 0.5821(7)
O28 O -0.0524(7) 0.7903(7) 0.9351(6)
C101 C 0.2921(11) 0.7862(10) 0.5305(8)
O29 O 0.0683(8) 0.9368(7) 0.4927(7)
C102 C 0.2645(15) 0.7441(11) 1.1055(8)
C103 C 0.0711(11) 0.8256(10) 0.6981(7)
C104 C 0.0951(13) 0.9868(11) 0.6058(8)
C105 C 0.2710(11) 0.8498(10) 0.5349(7)
C106 C -0.0351(14) 0.9233(13) 0.5458(9)
C107 C 0.6288(8) 0.7193(8) 0.6774(6)
C108 C 0.5588(9) 0.7318(11) 1.0152(6)
C109 C 0.2746(13) 0.6955(12) 0.5482(8)
C110 C 0.6243(10) 0.8120(8) 0.9765(9)
C111 C 0.0687(12) 0.9082(12) 0.8132(6)
C112 C 0.1500(12) 0.5997(10) 0.7745(8)
C113 C 0.2636(10) 1.0194(9) 0.6533(8)
C114 C 0.5737(8) 0.9240(7) 0.9956(7)
C115 C 0.3295(15) 0.6717(11) 0.5272(7)
C116 C 0.2016(11) 0.9786(12) 0.5404(6)
N35 N 0.2583(8) 0.7518(10) 0.5490(5)
C117 C 0.6138(14) 0.7112(9) 0.9911(9)
C118 C 0.4341(13) 0.6212(7) 1.0822(8)
C119 C 0.0277(18) 0.7075(11) 0.6336(11)
C120 C 0.4169(11) 0.4148(7) 0.8310(8)
C121 C 0.2586(13) 0.5981(11) 0.5705(8)
O30 O 0.1542(7) 0.5119(6) 0.9343(6)
C122 C 0.3763(15) 0.6074(9) 1.1072(7)
C123 C 0.3264(12) 0.5114(10) 0.7071(7)
C124 C 0.0467(10) 0.9864(12) 0.6394(8)
C125 C 0.6904(9) 0.843(1) 0.8151(8)
C126 C 0.5815(10) 0.3377(6) 0.763(1)
C127 C 0.6233(10) 0.9138(9) 0.9636(10)
C128 C 0.571(1) 0.8232(8) 1.0046(8)
C129 C 0.1258(11) 0.7214(10) 0.7274(7)
C130 C 0.2869(10) 1.1115(9) 0.6129(10)
O31 O -0.0703(9) 0.7440(11) 0.6671(7)
O32 O 0.0790(9) 0.8496(9) 0.4781(7)
C131 C 0.3452(15) 0.4512(10) 0.7066(9)
C132 C 0.6699(9) 0.8776(9) 0.6163(11)
C133 C 0.4142(13) 0.5318(11) 0.6644(9)
N36 N 0.0610(9) 0.8923(15) 0.5006(7)
C134 C 0.1084(10) 1.0383(12) 0.5800(9)
C135 C 0.0952(11) 0.6409(12) 0.7817(7)
C136 C 0.0122(14) 0.8736(16) 0.5426(9)
O33 O 0.3318(8) 0.7266(7) 0.9326(9)
C137 C -0.0227(15) 0.749(2) 0.6365(9)
C138 C 0.5621(10) 1.1086(9) 0.7327(8)
C139 C 0.2884(11) 0.3195(7) 0.8865(10)
C140 C 0.6452(9) 0.7487(11) 0.9724(8)
C141 C -0.0707(12) 1.1121(9) 0.6757(8)
C142 C 0.4504(9) 0.7218(9) 0.4498(10)
C143 C 0.1946(12) 0.5346(10) 0.9115(7)
C144 C -0.040(1) 1.0496(12) 0.6751(8)
C145 C 0.4459(9) 1.1377(6) 0.7369(7)
C146 C 0.3420(12) 0.4664(8) 1.0197(7)
C147 C 0.5778(12) 0.2757(8) 0.7597(10)
O34 O 0.3062(7) 0.6884(6) 0.6932(8)
Cl16 Cl 0.2475(9) 0.9847(8) 0.3350(8)
C148 C 0.1580(14) 1.0348(10) 0.5473(8)
C149 C 0.316(2) 0.5738(11) 0.5507(9)
C150 C 0.5819(11) 0.2373(8) 0.8150(9)
C151 C 0.4470(12) 0.5739(12) 0.6435(7)
C152 C 0.2386(12) 0.6615(10) 0.5676(8)
C153 C 0.5251(12) 0.6851(8) 1.0310(7)
C154 C 0.0713(16) 0.7159(12) 0.6045(9)
C155 C 0.6510(9) 0.8572(13) 0.9547(9)
C156 C 0.4000(17) 0.4319(10) 0.6846(11)
Cl17? Cl 0.7332(10) 0.5953(9) 0.7905(9)
C157 C -0.0247(17) 0.8062(16) 0.6044(11)
Cl18? Cl 0.7549(12) 0.4734(11) 0.8318(11)
C158 C 0.4360(11) 0.4727(13) 0.6598(8)
C159 C 0.5437(11) 0.6354(12) 0.4561(9)
C160 C -0.0989(10) 0.8488(11) 0.9420(11)
C161 C 0.0834(15) 0.9550(13) 0.0868(14)
C162 C 0.0854(11) 0.6372(10) 0.9355(8)
C163 C 0.1305(17) 0.6688(19) 0.6018(8)
Cl19? Cl 0.7886(10) 0.4409(9) 0.7923(9)
C164 C -0.0186(16) 1.1342(11) 0.6957(14)
C165 C 0.5020(11) 0.6834(12) 0.4179(10)
Cl20? Cl 0.0258(14) 0.6469(12) 0.0821(11)
C166 C 0.7331(16) 0.8628(14) 0.5909(13)
C167 C 0.2572(13) 1.1788(11) 0.6160(17)
C168 C 0.1648(14) 0.7716(13) 1.1566(11)
Cl21? Cl 0.0999(10) 0.9719(9) 0.1494(9)
C169 C 0.3107(14) 0.263(1) 0.8696(11)
Cl22? Cl 0.7677(12) 0.5704(10) 0.7583(11)
C170 C 0.6389(12) 0.4538(15) 0.6276(8)
Cl23 Cl 0.0531(14) 0.9801(11) 0.0419(13)
C171 C 0.5375(14) 0.7272(15) 0.3911(14)
C172 C 0.1284(17) 0.7315(16) 1.2011(10)
C173 C 0.0646(16) 1.2504(10) 0.799(2)
C174 C 0.2647(11) 0.9251(13) 0.3872(10)
C175 C 0.3257(15) 0.6419(14) 1.1141(11)
C176 C 0.3458(12) 0.6061(11) 0.5295(8)
C177 C -0.0816(17) 0.861(2) 0.6096(11)
C178 C -0.0804(11) 0.9118(18) 0.5776(11)
C179 C 0.8123(12) 0.6015(8) 0.9268(15)
C180 C -0.1252(10) 1.1154(12) 0.7145(9)
C181 C 0.7268(13) 0.6754(13) 0.9461(13)
C182 C 0.8926(11) 0.8527(18) 0.756(2)
Cl24 Cl 0.2904(14) 0.3367(13) 0.6522(13)
C183 C 0.2717(18) 0.2253(10) 0.8908(14)
O35 O 0.0127(9) 0.9012(7) 0.1439(14)
C184 C 0.7954(12) 0.6666(11) 0.9363(19)
C185 C 0.7345(16) 0.526(3) 0.790(2)
C186 C 0.1034(13) 0.6970(14) 1.1726(11)
C187 C -0.1306(16) 0.8256(14) 0.9930(15)
Cl25 Cl 0.083(2) 0.5445(19) 0.1029(18)
O36 O 0.197(3) 0.717(3) 0.4141(18)
Cl26 Cl 0.841(6) 0.626(11) 0.553(9)
O37 O 0.182(2) 0.4089(12) 0.7650(12)
Cl27 Cl -0.060(7) 0.646(7) 0.108(10)
C188 C 0.265(5) 0.4137(15) 0.6480(16)
Cl28 Cl 0.7935(19) 0.517(2) 0.7486(17)
C189 C 0.1925(11) 1.1981(11) 0.5844(13)
C190 C 0.3254(18) 0.2695(12) 0.8120(16)
O38 O 0.3343(14) 0.7375(11) 0.818(2)
C191 C 0.3013(13) 1.2149(14) 0.5843(15)
C192 C -0.1925(16) 0.875(3) 0.9865(15)
C193 C 0.1274(12) 1.2161(8) 0.7816(11)
C194 C 0.6346(15) 0.2501(9) 0.7320(12)
C195 C 0.8373(19) 0.673(4) 0.982(3)
O39 O 0.143(3) 0.379(4) 0.712(2)
C196 C 0.1127(17) 1.2089(12) 0.7260(14)
O40 O 0.962(5) 0.565(5) 0.902(4)
C197 C 0.177(2) 0.702(2) 1.2492(17)
Cl29? Cl 0.5398(7) 0.8919(6) 0.5152(6)
C198 C 0.768(3) 0.625(2) 0.578(4)
O41 O 0.2811(17) 0.2394(12) 0.7269(14)
O42 O 0.156(5) 0.515(4) 0.510(3)
O43 O 0.9845(14) 0.9061(14) 0.0687(17)
Cl30 Cl 0.5945(13) 0.8740(13) 0.4598(13)
C199 C 0.742(3) 0.920(3) 0.5592(17)
Cl31? Cl 0.5359(18) 0.9683(13) 0.4328(19)
Cl32 Cl 0.5157(15) 0.8294(14) 0.4671(14)
Cl33 Cl 0.5113(17) 0.9669(11) 0.3992(13)
O44 O 0.023(5) 0.435(8) 0.427(6)
C200 C 0.744(3) 0.816(4) 0.565(2)
C201 C -0.095(3) 0.792(3) 1.0492(17)
Cl34 Cl 0.129(2) 0.909(2) 0.110(2)
Cl35? Cl 0.263(4) 0.423(4) 0.5754(18)
Cl36 Cl 0.6928(19) 0.6641(19) 0.5462(18)
O45 O 0.50000 0.50000 0.50000
C202 C 0.005(2) 0.5824(19) 0.1132(16)
Cl37 Cl -0.021(2) 0.5943(19) 0.0432(16)
O46 O 0.232(4) 0.772(6) 0.328(5)
Cl38 Cl 0.0789(19) 1.0261(17) 0.0984(17)
C203 C -0.0667(13) 0.683(2) 0.7030(13)
C204 C -0.127(3) 0.687(2) 0.735(4)
C205 C -0.119(2) 0.626(2) 0.7745(18)
Cl39? Cl 0.016(4) 0.577(3) 0.1850(14)
Cl40 Cl 0.183(4) 0.432(4) 0.645(5)
O47 O 0.052(3) 0.4114(16) 0.722(2)
O48 O 0.117(12) 0.657(8) 0.437(8)
C206 C 0.5111(15) 0.9026(10) 0.4497(7)
Cl41? Cl 0.5056(12) 0.8874(10) 0.3910(11)
O49 O 0.051(2) 0.218(2) 0.5492(19)
O50 O 0.062(2) 0.537(2) 0.7000(19)
H1 H 0.42220 0.87680 0.76040
H2 H 0.22200 0.86090 0.91140
H3 H 0.44740 0.80040 0.90800
H4 H 0.14460 0.85560 0.80050
H5 H 0.36350 0.86340 0.98480
H6 H 0.50570 0.62180 0.76210
H7 H 0.26980 0.67660 0.97730
H8 H 0.52810 0.93770 0.84060
H9 H 0.15240 0.78550 0.68340
H10 H 0.26840 1.00430 0.98530
H11 H 0.35150 0.81990 0.65560
H12 H 0.22450 0.60040 0.90110
H13 H 0.38170 1.03290 0.73100
H14 H 0.40300 0.63990 0.94370
H15 H 0.36580 1.09020 0.88080
H16 H 0.12550 0.69950 1.04400
H17 H 0.27060 0.61220 0.71070
H18 H 0.14040 1.04580 0.87470
H19 H 0.57230 0.91180 0.66560
H20 H 0.58520 0.44350 0.74990
H21 H 0.28320 1.09120 0.93180
H22 H 0.22010 0.83190 1.08800
H23 H 0.29850 1.08850 0.76680
H24 H 0.20550 0.83890 0.57920
H25 H 0.58500 0.72770 0.85010
H26 H 0.51350 1.02210 0.77820
H27 H 0.55430 1.03210 0.82430
H28 H 0.60360 0.63020 0.84690
H29 H 0.50820 1.13560 0.79610
H30 H 0.45880 0.74930 1.03590
H31 H 0.38590 0.63600 0.66210
H32 H 0.10100 1.00960 0.75860
H33 H 0.23250 0.41920 0.91120
H34 H 0.42500 0.45160 0.98780
H35 H 0.00140 0.93720 0.68870
H36 H 0.06310 0.78860 1.03630
H37 H 0.13550 1.14990 0.85850
H38 H 0.10430 1.13350 0.81020
H39 H 0.64070 0.63160 0.68890
H40 H 0.08340 0.87270 0.98350
H41 H 0.53980 0.57650 0.88620
H42 H 0.04780 0.72370 0.76880
H43 H 0.17140 0.72710 0.57690
H44 H 0.51850 0.64430 0.59170
H45 H -0.02520 0.88720 0.87540
H46 H 0.33940 1.00590 0.60960
H47 H 0.25380 0.50130 1.04480
H48 H 0.48110 0.81750 0.58320
H49 H 0.37270 0.79300 0.48820
H50 H 0.00550 0.68100 0.95240
H51 H 0.16020 1.06050 0.70330
H52 H 0.54740 0.73210 0.56380
H53 H -0.03560 0.96140 0.52750
H54 H 0.66510 0.72000 0.65970
H55 H 0.15980 0.55930 0.79020
H56 H 0.55800 0.96130 1.00250
H57 H 0.23610 0.97820 0.51970
H58 H 0.62780 0.67210 0.98830
H59 H 0.47170 0.59340 1.08010
H60 H 0.03150 0.66930 0.65420
H61 H 0.42760 0.37470 0.83190
H62 H 0.23370 0.57440 0.58540
H63 H 0.37940 0.56740 1.11900
H64 H 0.61740 0.33410 0.78640
H65 H 0.58500 0.36100 0.72660
H66 H 0.63890 0.94490 0.94740
H67 H 0.28810 1.10820 0.57490
H68 H 0.32870 1.09600 0.63020
H69 H 0.32130 0.42610 0.72050
H70 H 0.67200 0.89780 0.64520
H71 H 0.63820 0.90360 0.58830
H72 H 0.08430 1.07470 0.58460
H73 H 0.06510 0.62750 0.80190
H74 H 0.60030 1.09200 0.75530
H75 H 0.56000 1.14780 0.71210
H76 H 0.56040 1.08430 0.70760
H77 H 0.24820 0.34220 0.86760
H78 H 0.28350 0.31170 0.92590
H79 H -0.08650 1.13500 0.63830
H80 H 0.47000 0.73660 0.47580
H81 H 0.42260 0.75510 0.42390
H82 H -0.02460 1.02750 0.71240
H83 H -0.07050 1.03290 0.66300
H84 H 0.44310 1.17760 0.71790
H85 H 0.41230 1.13780 0.76070
H86 H 0.44360 1.11500 0.71060
H87 H 0.34410 0.42660 1.03220
H88 H 0.53980 0.27860 0.73850
H89 H 0.16480 1.07010 0.52830
H90 H 0.33030 0.53330 0.55370
H91 H 0.54600 0.25240 0.83390
H92 H 0.61870 0.23620 0.83530
H93 H 0.58380 0.19800 0.81210
H94 H 0.68620 0.85000 0.93480
H95 H 0.41550 0.39190 0.68520
H96 H 0.47170 0.45990 0.64170
H97 H 0.52180 0.60810 0.47370
H98 H 0.56050 0.65010 0.48330
H99 H 0.57690 0.61550 0.43680
H100 H -0.07750 0.87650 0.94850
H101 H -0.12820 0.86730 0.91020
H102 H 0.08260 0.60080 0.95570
H103 H -0.03510 1.17500 0.69670
H104 H 0.01420 1.13030 0.67090
H105 H -0.00250 1.11100 0.73200
H106 H 0.48300 0.66970 0.39020
H107 H 0.76400 0.84890 0.62230
H108 H 0.25370 1.18240 0.65420
H109 H 0.13730 0.79580 1.12480
H110 H 0.18090 0.79680 1.17400
H111 H 0.35090 0.24310 0.89040
H112 H 0.50990 0.75970 0.36500
H113 H 0.57150 0.70750 0.37240
H114 H 0.55340 0.74170 0.41900
H115 H 0.09350 0.75890 1.21400
H116 H 0.07020 1.25610 0.83540
H117 H 0.03520 1.22820 0.79960
H118 H 0.04920 1.28810 0.77360
H119 H 0.29500 0.62690 1.13160
H120 H 0.38180 0.58950 0.51340
H121 H -0.11310 0.85720 0.63320
H122 H -0.11510 0.94370 0.57700
H123 H 0.85380 0.59090 0.91490
H124 H 0.78360 0.60010 0.89910
H125 H 0.80970 0.57420 0.96070
H126 H -0.15460 1.09840 0.70180
H127 H -0.14540 1.15600 0.71440
H128 H -0.10930 1.09380 0.75130
H129 H 0.26910 0.22170 0.92970
H130 H 0.28940 0.18680 0.88390
H131 H 0.23080 0.24240 0.87260
H132 H 0.79900 0.69400 0.90170
H133 H 0.07590 0.72290 1.14200
H134 H 0.08080 0.67520 1.19730
H135 H 0.13670 0.67010 1.15930
H136 H -0.14380 0.79430 0.98210
H137 H 0.16820 1.17290 0.60180
H138 H 0.19770 1.19490 0.54690
H139 H 0.17150 1.23830 0.58480
H140 H 0.34520 0.23120 0.80560
H141 H 0.35280 0.29390 0.80390
H142 H 0.28780 0.28760 0.78870
H143 H 0.34110 1.20220 0.60440
H144 H 0.28290 1.25630 0.58130
H145 H 0.30660 1.20770 0.54810
H146 H -0.21770 0.86530 1.01630
H147 H -0.21420 0.87920 0.95210
H148 H -0.18430 0.91170 0.98720
H149 H 0.16190 1.23290 0.78430
H150 H 0.63300 0.27390 0.69520
H151 H 0.63630 0.21050 0.73030
H152 H 0.67100 0.24940 0.75250
H153 H 0.87930 0.66590 0.97100
H154 H 0.83600 0.64480 1.01550
H155 H 0.82280 0.71230 0.98760
H156 H 0.14970 1.18700 0.71250
H157 H 0.09690 1.24720 0.70120
H158 H 0.08190 1.18800 0.72840
H159 H 0.18930 0.73120 1.26270
H160 H 0.21310 0.67640 1.23690
H161 H 0.16030 0.67830 1.27820
H162 H 0.73790 0.94690 0.58290
H163 H 0.71200 0.93740 0.52850
H164 H 0.78340 0.91280 0.54580
H165 H 0.73420 0.78280 0.58960
H166 H 0.78630 0.80430 0.55670
H167 H 0.71720 0.82770 0.53190
H168 H -0.12280 0.77890 1.07460
H169 H -0.07740 0.81830 1.06350
H170 H -0.06200 0.75880 1.04450
H171 H -0.03030 0.66860 0.72860
H172 H -0.06330 0.65470 0.68000
#END
