#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/01/4100120.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4100120
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja050938y
_journal_year                    2005
_chemical_formula_sum            'C64 H136 Co K N2 O10 Si8'
_chemical_formula_weight         1416.50
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.686(3)
_cell_angle_beta                 103.374(3)
_cell_angle_gamma                100.456(2)
_cell_formula_units_Z            2
_cell_length_a                   12.9740(7)
_cell_length_b                   16.1730(9)
_cell_length_c                   20.1670(7)
_cell_measurement_temperature    120.0(1)
_cell_volume                     4037.2(3)
_diffrn_ambient_temperature      120.0(1)
_exptl_crystal_density_diffrn    1.165
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4100120
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co -0.17647(3) -0.29315(3) 0.75893(2) 0.02300(12) Uani 1 1 d . . .
K1 K 0.27643(6) 0.04687(4) 0.58009(3) 0.02782(16) Uani 1 1 d . . .
Si1 Si -0.21022(7) -0.30121(6) 0.87061(4) 0.02544(19) Uani 1 1 d . . .
Si2 Si -0.06074(7) -0.34383(5) 0.85585(4) 0.02434(18) Uani 1 1 d . . .
Si3 Si -0.15630(7) -0.43810(6) 0.76654(4) 0.02651(19) Uani 1 1 d . . .
Si4 Si -0.30797(7) -0.40251(6) 0.78605(4) 0.02530(19) Uani 1 1 d . . .
Si5 Si -0.23941(8) -0.20657(6) 0.95249(5) 0.0300(2) Uani 1 1 d . . .
Si6 Si 0.12781(7) -0.29979(6) 0.89951(4) 0.02545(19) Uani 1 1 d . . .
Si7 Si -0.09769(10) -0.52753(6) 0.69520(5) 0.0395(3) Uani 1 1 d . . .
Si8 Si -0.49686(9) -0.43678(7) 0.74267(5) 0.0250(2) Uani 0.7426(15) 1 d PD . .
Si58 Si -0.4858(3) -0.4904(2) 0.73375(16) 0.0250(2) Uani 0.2574(15) 1 d PD . .
O1 O 0.0103(2) -0.21135(17) 0.71290(12) 0.0401(6) Uani 1 1 d . . .
O2 O -0.3439(2) -0.21059(17) 0.68420(14) 0.0437(6) Uani 1 1 d . . .
O3 O 0.47868(19) 0.00064(15) 0.60221(12) 0.0334(5) Uani 1 1 d . . .
O4 O 0.4543(2) 0.16225(15) 0.55766(12) 0.0338(5) Uani 1 1 d . . .
O5 O 0.1479(2) -0.11407(15) 0.51926(12) 0.0345(5) Uani 1 1 d . . .
O6 O 0.1449(2) 0.03310(16) 0.44686(11) 0.0362(5) Uani 1 1 d . . .
O7 O 0.2490(2) 0.03366(16) 0.71322(12) 0.0355(5) Uani 1 1 d . . .
O8 O 0.1792(2) 0.16805(15) 0.63955(11) 0.0338(5) Uani 1 1 d . . .
O9 O -0.1487(3) 0.08288(18) 0.72576(14) 0.0590(9) Uani 1 1 d . . .
O10 O -0.4616(4) 0.0608(3) 0.8070(3) 0.1090(16) Uani 1 1 d . . .
N1 N 0.3079(2) -0.11167(18) 0.64959(14) 0.0329(6) Uani 1 1 d . . .
N2 N 0.2401(2) 0.20436(18) 0.50876(14) 0.0331(6) Uani 1 1 d . . .
C1 C -0.1279(3) -0.1110(2) 0.97331(19) 0.0368(8) Uani 1 1 d . . .
H1A H -0.0602 -0.1280 0.9906 0.055 Uiso 1 1 calc R . .
H1B H -0.1412 -0.0741 1.0072 0.055 Uiso 1 1 calc R . .
H1C H -0.1253 -0.0819 0.9327 0.055 Uiso 1 1 calc R . .
C2 C -0.2353(4) -0.2643(2) 1.03557(18) 0.0440(10) Uani 1 1 d . . .
C3 C -0.3097(5) -0.3494(3) 1.0245(2) 0.0669(15) Uani 1 1 d . . .
H3A H -0.2937 -0.3831 0.9896 0.100 Uiso 1 1 calc R . .
H3B H -0.3833 -0.3422 1.0107 0.100 Uiso 1 1 calc R . .
H3C H -0.2995 -0.3772 1.0663 0.100 Uiso 1 1 calc R . .
C4 C -0.2583(4) -0.2089(3) 1.0920(2) 0.0535(11) Uani 1 1 d . . .
H4A H -0.2093 -0.1555 1.0988 0.080 Uiso 1 1 calc R . .
H4B H -0.2486 -0.2366 1.1338 0.080 Uiso 1 1 calc R . .
H4C H -0.3312 -0.2001 1.0785 0.080 Uiso 1 1 calc R . .
C5 C -0.1194(5) -0.2805(3) 1.0630(2) 0.0630(14) Uani 1 1 d . . .
H5A H -0.0690 -0.2278 1.0713 0.095 Uiso 1 1 calc R . .
H5B H -0.1020 -0.3159 1.0298 0.095 Uiso 1 1 calc R . .
H5C H -0.1156 -0.3080 1.1048 0.095 Uiso 1 1 calc R . .
C6 C -0.3679(3) -0.1644(2) 0.9193(2) 0.0461(10) Uani 1 1 d . . .
C7 C -0.3708(5) -0.1383(4) 0.8480(2) 0.0738(17) Uani 1 1 d . . .
H7A H -0.3662 -0.1854 0.8196 0.111 Uiso 1 1 calc R . .
H7B H -0.3110 -0.0931 0.8491 0.111 Uiso 1 1 calc R . .
H7C H -0.4372 -0.1196 0.8299 0.111 Uiso 1 1 calc R . .
C8 C -0.4661(4) -0.2314(3) 0.9262(3) 0.0723(15) Uani 1 1 d . . .
H8A H -0.4577 -0.2443 0.9731 0.108 Uiso 1 1 calc R . .
H8B H -0.4703 -0.2817 0.8984 0.108 Uiso 1 1 calc R . .
H8C H -0.5312 -0.2097 0.9113 0.108 Uiso 1 1 calc R . .
C9 C -0.3759(5) -0.0875(3) 0.9620(3) 0.0753(17) Uani 1 1 d . . .
H9A H -0.3768 -0.1024 1.0076 0.113 Uiso 1 1 calc R . .
H9B H -0.4411 -0.0683 0.9418 0.113 Uiso 1 1 calc R . .
H9C H -0.3148 -0.0434 0.9634 0.113 Uiso 1 1 calc R . .
C10 C 0.1994(3) -0.3044(2) 0.82857(18) 0.0390(8) Uani 1 1 d . . .
H10A H 0.1792 -0.2642 0.7964 0.058 Uiso 1 1 calc R . .
H10B H 0.1794 -0.3600 0.8059 0.058 Uiso 1 1 calc R . .
H10C H 0.2760 -0.2914 0.8473 0.058 Uiso 1 1 calc R . .
C11 C 0.1709(3) -0.3814(2) 0.96235(18) 0.0355(7) Uani 1 1 d . . .
C12 C 0.1059(4) -0.3926(3) 1.01780(19) 0.0449(9) Uani 1 1 d . . .
H12A H 0.1178 -0.3401 1.0446 0.067 Uiso 1 1 calc R . .
H12B H 0.1291 -0.4350 1.0469 0.067 Uiso 1 1 calc R . .
H12C H 0.0304 -0.4096 0.9964 0.067 Uiso 1 1 calc R . .
C13 C 0.2931(3) -0.3599(3) 0.9969(2) 0.0515(10) Uani 1 1 d . . .
H13A H 0.3097 -0.3064 1.0228 0.077 Uiso 1 1 calc R . .
H13B H 0.3336 -0.3572 0.9625 0.077 Uiso 1 1 calc R . .
H13C H 0.3118 -0.4028 1.0268 0.077 Uiso 1 1 calc R . .
C14 C 0.1477(3) -0.4677(2) 0.9212(2) 0.0434(9) Uani 1 1 d . . .
H14A H 0.1869 -0.4636 0.8861 0.065 Uiso 1 1 calc R . .
H14B H 0.0717 -0.4837 0.9007 0.065 Uiso 1 1 calc R . .
H14C H 0.1700 -0.5095 0.9513 0.065 Uiso 1 1 calc R . .
C15 C 0.1667(3) -0.1844(2) 0.93781(17) 0.0323(7) Uani 1 1 d . . .
C16 C 0.0992(3) -0.1314(2) 0.89035(18) 0.0356(7) Uani 1 1 d . . .
H16A H 0.0239 -0.1522 0.8871 0.053 Uiso 1 1 calc R . .
H16B H 0.1132 -0.1351 0.8458 0.053 Uiso 1 1 calc R . .
H16C H 0.1182 -0.0736 0.9085 0.053 Uiso 1 1 calc R . .
C17 C 0.1450(4) -0.1761(2) 1.00898(18) 0.0445(9) Uani 1 1 d . . .
H17A H 0.0701 -0.1978 1.0064 0.067 Uiso 1 1 calc R . .
H17B H 0.1625 -0.1177 1.0256 0.067 Uiso 1 1 calc R . .
H17C H 0.1887 -0.2074 1.0396 0.067 Uiso 1 1 calc R . .
C18 C 0.2862(3) -0.1489(3) 0.9422(2) 0.0492(10) Uani 1 1 d . . .
H18A H 0.3000 -0.1539 0.8976 0.074 Uiso 1 1 calc R . .
H18B H 0.3302 -0.1799 0.9729 0.074 Uiso 1 1 calc R . .
H18C H 0.3031 -0.0905 0.9587 0.074 Uiso 1 1 calc R . .
C19 C 0.0567(4) -0.5112(6) 0.7261(3) 0.123(3) Uani 1 1 d . . .
H19A H 0.0882 -0.4541 0.7207 0.184 Uiso 1 1 calc R . .
H19B H 0.0833 -0.5491 0.6997 0.184 Uiso 1 1 calc R . .
H19C H 0.0758 -0.5222 0.7735 0.184 Uiso 1 1 calc R . .
C20 C -0.1425(6) -0.6415(3) 0.7098(2) 0.082(2) Uani 1 1 d . . .
C21 C -0.0872(10) -0.7011(4) 0.6804(4) 0.161(5) Uani 1 1 d . . .
H21A H -0.0893 -0.6904 0.6336 0.242 Uiso 1 1 calc R . .
H21B H -0.1232 -0.7579 0.6827 0.242 Uiso 1 1 calc R . .
H21C H -0.0135 -0.6934 0.7059 0.242 Uiso 1 1 calc R . .
C22 C -0.2688(9) -0.6702(5) 0.6718(4) 0.180(6) Uani 1 1 d . . .
H22A H -0.3097 -0.6343 0.6889 0.270 Uiso 1 1 calc R . .
H22B H -0.2939 -0.7275 0.6804 0.270 Uiso 1 1 calc R . .
H22C H -0.2780 -0.6658 0.6235 0.270 Uiso 1 1 calc R . .
C23 C -0.1409(7) -0.6520(3) 0.7846(3) 0.108(3) Uani 1 1 d . . .
H23A H -0.1769 -0.6115 0.8007 0.163 Uiso 1 1 calc R . .
H23B H -0.0675 -0.6433 0.8109 0.163 Uiso 1 1 calc R . .
H23C H -0.1773 -0.7079 0.7895 0.163 Uiso 1 1 calc R . .
C24 C -0.1222(5) -0.4966(3) 0.6037(2) 0.0625(13) Uani 1 1 d . . .
C25 C -0.0472(6) -0.4143(3) 0.5998(3) 0.102(3) Uani 1 1 d . . .
H25A H -0.0579 -0.3716 0.6303 0.153 Uiso 1 1 calc R . .
H25B H -0.0626 -0.3973 0.5539 0.153 Uiso 1 1 calc R . .
H25C H 0.0263 -0.4217 0.6129 0.153 Uiso 1 1 calc R . .
C26 C -0.1031(5) -0.5634(3) 0.5545(2) 0.0738(16) Uani 1 1 d . . .
H26A H -0.1503 -0.6161 0.5560 0.111 Uiso 1 1 calc R . .
H26B H -0.0294 -0.5704 0.5680 0.111 Uiso 1 1 calc R . .
H26C H -0.1177 -0.5456 0.5089 0.111 Uiso 1 1 calc R . .
C27 C -0.2388(6) -0.4844(6) 0.5804(3) 0.140(4) Uani 1 1 d . . .
H27A H -0.2870 -0.5363 0.5826 0.210 Uiso 1 1 calc R . .
H27B H -0.2518 -0.4682 0.5342 0.210 Uiso 1 1 calc R . .
H27C H -0.2507 -0.4411 0.6097 0.210 Uiso 1 1 calc R . .
C28 C -0.5612(4) -0.3433(3) 0.7527(3) 0.0432(11) Uani 0.7426(15) 1 d PD . .
H28A H -0.5440 -0.3237 0.8001 0.065 Uiso 0.7426(15) 1 calc PR . .
H28B H -0.6382 -0.3595 0.7362 0.065 Uiso 0.7426(15) 1 calc PR . .
H28C H -0.5344 -0.2990 0.7269 0.065 Uiso 0.7426(15) 1 calc PR . .
C29 C -0.5454(3) -0.5198(3) 0.80038(19) 0.0381(7) Uani 0.7426(15) 1 d PD . .
C30 C -0.4846(5) -0.5927(3) 0.8037(3) 0.0652(7) Uani 0.7426(15) 1 d PD . .
H30A H -0.4083 -0.5711 0.8188 0.098 Uiso 0.7426(15) 1 calc PR . .
H30B H -0.5001 -0.6214 0.7591 0.098 Uiso 0.7426(15) 1 calc PR . .
H30C H -0.5070 -0.6314 0.8351 0.098 Uiso 0.7426(15) 1 calc PR . .
C31 C -0.6665(4) -0.5554(4) 0.7772(3) 0.0652(7) Uani 0.7426(15) 1 d PD . .
H31A H -0.7055 -0.5101 0.7751 0.098 Uiso 0.7426(15) 1 calc PR . .
H31B H -0.6877 -0.5939 0.8091 0.098 Uiso 0.7426(15) 1 calc PR . .
H31C H -0.6824 -0.5844 0.7327 0.098 Uiso 0.7426(15) 1 calc PR . .
C32 C -0.5226(5) -0.4781(4) 0.8731(2) 0.0652(7) Uani 0.7426(15) 1 d PD . .
H32A H -0.4467 -0.4556 0.8891 0.098 Uiso 0.7426(15) 1 calc PR . .
H32B H -0.5447 -0.5192 0.9029 0.098 Uiso 0.7426(15) 1 calc PR . .
H32C H -0.5621 -0.4332 0.8727 0.098 Uiso 0.7426(15) 1 calc PR . .
C33 C -0.5366(3) -0.4697(2) 0.64657(18) 0.0381(7) Uani 0.7426(15) 1 d PD . .
C34 C -0.4860(5) -0.3995(4) 0.6081(3) 0.0652(7) Uani 0.7426(15) 1 d PD . .
H34A H -0.5078 -0.3479 0.6184 0.098 Uiso 0.7426(15) 1 calc PR . .
H34B H -0.5098 -0.4145 0.5598 0.098 Uiso 0.7426(15) 1 calc PR . .
H34C H -0.4088 -0.3920 0.6219 0.098 Uiso 0.7426(15) 1 calc PR . .
C35 C -0.4955(5) -0.5496(3) 0.6319(3) 0.0652(7) Uani 0.7426(15) 1 d PD . .
H35A H -0.5264 -0.5947 0.6555 0.098 Uiso 0.7426(15) 1 calc PR . .
H35B H -0.4182 -0.5393 0.6473 0.098 Uiso 0.7426(15) 1 calc PR . .
H35C H -0.5161 -0.5649 0.5836 0.098 Uiso 0.7426(15) 1 calc PR . .
C36 C -0.6594(4) -0.4879(4) 0.6183(3) 0.0652(7) Uani 0.7426(15) 1 d PD . .
H36A H -0.6917 -0.5322 0.6420 0.098 Uiso 0.7426(15) 1 calc PR . .
H36B H -0.6762 -0.5050 0.5704 0.098 Uiso 0.7426(15) 1 calc PR . .
H36C H -0.6871 -0.4379 0.6248 0.098 Uiso 0.7426(15) 1 calc PR . .
C37 C -0.0639(3) -0.2448(2) 0.73337(16) 0.0306(7) Uani 1 1 d . . .
C38 C -0.2776(3) -0.2460(2) 0.71432(16) 0.0299(7) Uani 1 1 d . . .
C39 C 0.4093(3) -0.1330(2) 0.64083(19) 0.0381(8) Uani 1 1 d . . .
H39A H 0.3974 -0.1586 0.5949 0.046 Uiso 1 1 calc R . .
H39B H 0.4291 -0.1747 0.6725 0.046 Uiso 1 1 calc R . .
C40 C 0.5022(3) -0.0590(2) 0.65222(19) 0.0389(8) Uani 1 1 d . . .
H40A H 0.5144 -0.0322 0.6977 0.047 Uiso 1 1 calc R . .
H40B H 0.5674 -0.0784 0.6487 0.047 Uiso 1 1 calc R . .
C41 C 0.5671(3) 0.0704(3) 0.6113(2) 0.0460(9) Uani 1 1 d . . .
H41A H 0.6332 0.0503 0.6118 0.055 Uiso 1 1 calc R . .
H41B H 0.5760 0.1022 0.6544 0.055 Uiso 1 1 calc R . .
C42 C 0.5438(3) 0.1261(2) 0.5530(2) 0.0418(9) Uani 1 1 d . . .
H42A H 0.6063 0.1702 0.5552 0.050 Uiso 1 1 calc R . .
H42B H 0.5282 0.0930 0.5097 0.050 Uiso 1 1 calc R . .
C43 C 0.4333(3) 0.2189(2) 0.50503(19) 0.0400(8) Uani 1 1 d . . .
H43A H 0.4120 0.1879 0.4605 0.048 Uiso 1 1 calc R . .
H43B H 0.4981 0.2605 0.5067 0.048 Uiso 1 1 calc R . .
C44 C 0.3443(3) 0.2619(2) 0.5157(2) 0.0418(9) Uani 1 1 d . . .
H44A H 0.3659 0.2908 0.5610 0.050 Uiso 1 1 calc R . .
H44B H 0.3350 0.3042 0.4828 0.050 Uiso 1 1 calc R . .
C45 C 0.2169(3) -0.1816(2) 0.6207(2) 0.0410(8) Uani 1 1 d . . .
H45A H 0.1552 -0.1737 0.6380 0.049 Uiso 1 1 calc R . .
H45B H 0.2365 -0.2341 0.6362 0.049 Uiso 1 1 calc R . .
C46 C 0.1844(3) -0.1884(2) 0.54308(19) 0.0406(8) Uani 1 1 d . . .
H46A H 0.2457 -0.1956 0.5252 0.049 Uiso 1 1 calc R . .
H46B H 0.1273 -0.2373 0.5269 0.049 Uiso 1 1 calc R . .
C47 C 0.1195(3) -0.1168(2) 0.44689(17) 0.0396(8) Uani 1 1 d . . .
H47A H 0.0694 -0.1689 0.4286 0.048 Uiso 1 1 calc R . .
H47B H 0.1835 -0.1151 0.4295 0.048 Uiso 1 1 calc R . .
C48 C 0.0685(3) -0.0431(2) 0.42450(18) 0.0409(9) Uani 1 1 d . . .
H48A H 0.0439 -0.0473 0.3751 0.049 Uiso 1 1 calc R . .
H48B H 0.0064 -0.0433 0.4436 0.049 Uiso 1 1 calc R . .
C49 C 0.1013(3) 0.1048(3) 0.42280(17) 0.0401(8) Uani 1 1 d . . .
H49A H 0.0461 0.1133 0.4461 0.048 Uiso 1 1 calc R . .
H49B H 0.0683 0.0952 0.3742 0.048 Uiso 1 1 calc R . .
C50 C 0.1889(3) 0.1810(2) 0.43585(17) 0.0394(8) Uani 1 1 d . . .
H50A H 0.2439 0.1712 0.4128 0.047 Uiso 1 1 calc R . .
H50B H 0.1592 0.2281 0.4160 0.047 Uiso 1 1 calc R . .
C51 C 0.3151(3) -0.0952(3) 0.72298(18) 0.0431(9) Uani 1 1 d . . .
H51A H 0.3860 -0.0622 0.7443 0.052 Uiso 1 1 calc R . .
H51B H 0.3081 -0.1485 0.7439 0.052 Uiso 1 1 calc R . .
C52 C 0.2310(4) -0.0492(2) 0.7372(2) 0.0439(9) Uani 1 1 d . . .
H52A H 0.1596 -0.0798 0.7142 0.053 Uiso 1 1 calc R . .
H52B H 0.2355 -0.0451 0.7859 0.053 Uiso 1 1 calc R . .
C53 C 0.1806(3) 0.0837(2) 0.73509(17) 0.0384(8) Uani 1 1 d . . .
H53A H 0.1925 0.0856 0.7845 0.046 Uiso 1 1 calc R . .
H53B H 0.1054 0.0588 0.7152 0.046 Uiso 1 1 calc R . .
C54 C 0.2062(3) 0.1712(2) 0.71271(17) 0.0420(9) Uani 1 1 d . . .
H54A H 0.1653 0.2072 0.7307 0.050 Uiso 1 1 calc R . .
H54B H 0.2825 0.1946 0.7302 0.050 Uiso 1 1 calc R . .
C55 C 0.1968(4) 0.2510(2) 0.61671(19) 0.0431(9) Uani 1 1 d . . .
H55A H 0.2720 0.2779 0.6340 0.052 Uiso 1 1 calc R . .
H55B H 0.1526 0.2846 0.6340 0.052 Uiso 1 1 calc R . .
C56 C 0.1681(3) 0.2457(2) 0.53963(19) 0.0411(9) Uani 1 1 d . . .
H56A H 0.0946 0.2149 0.5231 0.049 Uiso 1 1 calc R . .
H56B H 0.1707 0.3023 0.5246 0.049 Uiso 1 1 calc R . .
C57 C -0.1865(3) -0.0052(2) 0.72782(19) 0.0417(8) Uani 1 1 d . . .
H57A H -0.1959 -0.0346 0.6835 0.050 Uiso 1 1 calc R . .
H57B H -0.2549 -0.0155 0.7408 0.050 Uiso 1 1 calc R . .
C58 C -0.0997(3) -0.0343(2) 0.78100(18) 0.0382(8) Uani 1 1 d . . .
H58A H -0.0409 -0.0452 0.7619 0.046 Uiso 1 1 calc R . .
H58B H -0.1288 -0.0845 0.8009 0.046 Uiso 1 1 calc R . .
C59 C -0.0638(4) 0.0417(2) 0.8328(2) 0.0487(10) Uani 1 1 d . . .
H59A H -0.1078 0.0377 0.8659 0.058 Uiso 1 1 calc R . .
H59B H 0.0113 0.0468 0.8568 0.058 Uiso 1 1 calc R . .
C60 C -0.0795(4) 0.1147(2) 0.7902(2) 0.0455(9) Uani 1 1 d . . .
H60A H -0.1116 0.1539 0.8124 0.055 Uiso 1 1 calc R . .
H60B H -0.0105 0.1443 0.7843 0.055 Uiso 1 1 calc R . .
C61 C -0.5124(6) 0.0945(4) 0.8543(3) 0.091(2) Uani 1 1 d . . .
H61A H -0.4848 0.0781 0.8999 0.109 Uiso 1 1 calc R . .
H61B H -0.5899 0.0738 0.8411 0.109 Uiso 1 1 calc R . .
C62 C -0.4885(5) 0.1843(3) 0.8528(3) 0.0710(14) Uani 1 1 d . . .
H62A H -0.4683 0.2113 0.8988 0.085 Uiso 1 1 calc R . .
H62B H -0.5505 0.2046 0.8268 0.085 Uiso 1 1 calc R . .
C63 C -0.3945(6) 0.2024(4) 0.8186(3) 0.0848(18) Uani 1 1 d . . .
H63A H -0.4170 0.2217 0.7734 0.102 Uiso 1 1 calc R . .
H63B H -0.3355 0.2442 0.8459 0.102 Uiso 1 1 calc R . .
C64 C -0.3636(5) 0.1191(4) 0.8150(3) 0.085(2) Uani 1 1 d . . .
H64A H -0.3322 0.1129 0.7763 0.103 Uiso 1 1 calc R . .
H64B H -0.3121 0.1115 0.8565 0.103 Uiso 1 1 calc R . .
C78 C -0.4619(13) -0.5874(7) 0.6904(8) 0.0432(11) Uani 0.2574(15) 1 d PD . .
H78A H -0.4309 -0.5718 0.6526 0.065 Uiso 0.2574(15) 1 calc PR . .
H78B H -0.5293 -0.6262 0.6740 0.065 Uiso 0.2574(15) 1 calc PR . .
H78C H -0.4133 -0.6137 0.7224 0.065 Uiso 0.2574(15) 1 calc PR . .
C79 C -0.5478(7) -0.5294(6) 0.8071(4) 0.0381(7) Uani 0.2574(15) 1 d PD . .
C80 C -0.4643(11) -0.5629(10) 0.8610(5) 0.0652(7) Uani 0.2574(15) 1 d PD . .
H80A H -0.4017 -0.5192 0.8772 0.098 Uiso 0.2574(15) 1 calc PR . .
H80B H -0.4439 -0.6101 0.8409 0.098 Uiso 0.2574(15) 1 calc PR . .
H80C H -0.4950 -0.5804 0.8984 0.098 Uiso 0.2574(15) 1 calc PR . .
C81 C -0.6455(10) -0.6009(9) 0.7813(6) 0.0652(7) Uani 0.2574(15) 1 d PD . .
H81A H -0.6242 -0.6457 0.7586 0.098 Uiso 0.2574(15) 1 calc PR . .
H81B H -0.7010 -0.5802 0.7499 0.098 Uiso 0.2574(15) 1 calc PR . .
H81C H -0.6726 -0.6219 0.8193 0.098 Uiso 0.2574(15) 1 calc PR . .
C82 C -0.5846(13) -0.4588(8) 0.8424(6) 0.0652(7) Uani 0.2574(15) 1 d PD . .
H82A H -0.5239 -0.4139 0.8601 0.098 Uiso 0.2574(15) 1 calc PR . .
H82B H -0.6145 -0.4804 0.8791 0.098 Uiso 0.2574(15) 1 calc PR . .
H82C H -0.6385 -0.4377 0.8099 0.098 Uiso 0.2574(15) 1 calc PR . .
C83 C -0.5736(6) -0.4384(5) 0.6637(4) 0.0381(7) Uani 0.2574(15) 1 d PD . .
C84 C -0.5190(11) -0.4226(10) 0.6043(5) 0.0652(7) Uani 0.2574(15) 1 d PD . .
H84A H -0.4704 -0.4608 0.6044 0.098 Uiso 0.2574(15) 1 calc PR . .
H84B H -0.4794 -0.3656 0.6095 0.098 Uiso 0.2574(15) 1 calc PR . .
H84C H -0.5730 -0.4314 0.5619 0.098 Uiso 0.2574(15) 1 calc PR . .
C85 C -0.5892(11) -0.3533(6) 0.6912(6) 0.0652(7) Uani 0.2574(15) 1 d PD . .
H85A H -0.5200 -0.3170 0.7081 0.098 Uiso 0.2574(15) 1 calc PR . .
H85B H -0.6254 -0.3619 0.7276 0.098 Uiso 0.2574(15) 1 calc PR . .
H85C H -0.6318 -0.3277 0.6551 0.098 Uiso 0.2574(15) 1 calc PR . .
C86 C -0.6853(7) -0.4944(9) 0.6368(6) 0.0652(7) Uani 0.2574(15) 1 d PD . .
H86A H -0.7198 -0.5047 0.6739 0.098 Uiso 0.2574(15) 1 calc PR . .
H86B H -0.6777 -0.5470 0.6171 0.098 Uiso 0.2574(15) 1 calc PR . .
H86C H -0.7285 -0.4665 0.6027 0.098 Uiso 0.2574(15) 1 calc PR . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 C37 1.722(3) . ?
Co1 C38 1.723(3) . ?
Co1 Si4 2.3940(9) . ?
Co1 Si1 2.3945(9) . ?
Co1 Si3 2.4110(10) . ?
Co1 Si2 2.4352(9) . ?
K1 O7 2.798(2) . ?
K1 O3 2.799(2) . ?
K1 O6 2.808(2) . ?
K1 O4 2.825(2) . ?
K1 O8 2.886(2) . ?
K1 O5 2.890(2) . ?
K1 N1 3.006(3) . ?
K1 N2 3.019(3) . ?
Si1 Si2 2.2506(12) . ?
Si1 Si4 2.2980(12) . ?
Si1 Si5 2.3588(12) . ?
Si2 Si3 2.2858(12) . ?
Si2 Si6 2.3666(12) . ?
Si3 Si4 2.2615(12) . ?
Si3 Si7 2.3501(12) . ?
Si4 Si8 2.3590(14) . ?
Si4 Si58 2.460(3) . ?
Si5 C1 1.879(4) . ?
Si5 C6 1.901(4) . ?
Si5 C2 1.936(4) . ?
Si6 C10 1.884(3) . ?
Si6 C11 1.924(4) . ?
Si6 C15 1.931(3) . ?
Si7 C20 1.883(5) . ?
Si7 C24 1.897(5) . ?
Si7 C19 1.922(6) . ?
Si8 C28 1.882(5) . ?
Si8 C29 1.918(4) . ?
Si8 C33 1.919(4) . ?
Si58 C78 1.883(6) . ?
Si58 C79 1.913(5) . ?
Si58 C83 1.916(5) . ?
O1 C37 1.183(4) . ?
O2 C38 1.181(4) . ?
O3 C41 1.429(4) . ?
O3 C40 1.437(4) . ?
O4 C42 1.411(4) . ?
O4 C43 1.433(4) . ?
O5 C47 1.418(4) . ?
O5 C46 1.427(4) . ?
O6 C48 1.422(4) . ?
O6 C49 1.429(4) . ?
O7 C53 1.434(4) . ?
O7 C52 1.436(4) . ?
O8 C55 1.427(4) . ?
O8 C54 1.433(4) . ?
O9 C60 1.419(5) . ?
O9 C57 1.426(5) . ?
O10 C64 1.411(7) . ?
O10 C61 1.425(7) . ?
N1 C39 1.466(5) . ?
N1 C45 1.473(5) . ?
N1 C51 1.475(4) . ?
N2 C44 1.470(5) . ?
N2 C50 1.473(4) . ?
N2 C56 1.476(4) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C3 1.510(6) . ?
C2 C4 1.543(5) . ?
C2 C5 1.550(7) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 C7 1.505(7) . ?
C6 C9 1.524(6) . ?
C6 C8 1.551(6) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.545(5) . ?
C11 C14 1.547(5) . ?
C11 C13 1.547(5) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C18 1.533(5) . ?
C15 C17 1.532(5) . ?
C15 C16 1.533(5) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C21 1.485(8) . ?
C20 C23 1.520(7) . ?
C20 C22 1.616(12) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C25 1.516(7) . ?
C24 C27 1.527(8) . ?
C24 C26 1.536(6) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C31 1.528(4) . ?
C29 C30 1.528(4) . ?
C29 C32 1.537(4) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C35 1.530(4) . ?
C33 C34 1.529(4) . ?
C33 C36 1.533(4) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C39 C40 1.507(5) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 C42 1.510(5) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C44 1.504(5) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 C46 1.520(5) . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C47 C48 1.497(6) . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C49 C50 1.488(5) . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C50 H50A 0.9700 . ?
C50 H50B 0.9700 . ?
C51 C52 1.500(6) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C53 C54 1.502(5) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C55 C56 1.508(5) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 H56A 0.9700 . ?
C56 H56B 0.9700 . ?
C57 C58 1.517(5) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C58 C59 1.520(5) . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C59 C60 1.497(5) . ?
C59 H59A 0.9700 . ?
C59 H59B 0.9700 . ?
C60 H60A 0.9700 . ?
C60 H60B 0.9700 . ?
C61 C62 1.431(8) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C62 C63 1.524(7) . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C63 C64 1.477(8) . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
C79 C82 1.531(4) . ?
C79 C81 1.531(4) . ?
C79 C80 1.533(4) . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?
C82 H82A 0.9600 . ?
C82 H82B 0.9600 . ?
C82 H82C 0.9600 . ?
C83 C86 1.532(4) . ?
C83 C84 1.531(4) . ?
C83 C85 1.532(4) . ?
C84 H84A 0.9600 . ?
C84 H84B 0.9600 . ?
C84 H84C 0.9600 . ?
C85 H85A 0.9600 . ?
C85 H85B 0.9600 . ?
C85 H85C 0.9600 . ?
C86 H86A 0.9600 . ?
C86 H86B 0.9600 . ?
C86 H86C 0.9600 . ?
