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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/05/4060573.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_4060573
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om050391w
_journal_year                    2006
_chemical_formula_sum            'C79 H93 K O9.25 Os P3'
_chemical_formula_weight         1512.74
_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                105.875(11)
_cell_angle_beta                 97.4580(10)
_cell_angle_gamma                96.5680(10)
_cell_formula_units_Z            4
_cell_length_a                   12.7231(3)
_cell_length_b                   24.8384(4)
_cell_length_c                   25.0650(6)
_cell_measurement_temperature    100(2)
_cell_volume                     7460.6(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.347
_cod_database_code               4060573
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
Os1 Os 0.378092(15) 0.282062(8) 0.287396(9) 0.01729(6) Uani 1 1 d . . .
K1 K 0.53754(9) 0.21270(5) 0.36530(5) 0.0256(3) Uani 1 1 d . . .
P1 P 0.28318(10) 0.34170(5) 0.34279(6) 0.0192(3) Uani 1 1 d . . .
O1 O 0.4245(3) 0.09913(16) 0.34923(19) 0.0375(10) Uani 1 1 d . . .
C1 C 0.2504(4) 0.3250(2) 0.4075(2) 0.0229(12) Uani 1 1 d . . .
Os2 Os 0.479701(15) 0.223497(8) 0.777240(9) 0.01683(6) Uani 1 1 d . A .
K2 K 0.31745(10) 0.30267(5) 0.86964(5) 0.0290(3) Uani 1 1 d . . .
P2 P 0.48025(10) 0.34051(5) 0.24931(6) 0.0181(3) Uani 1 1 d . . .
O2 O 0.5617(3) 0.12087(15) 0.27428(18) 0.0323(10) Uani 1 1 d . . .
C2 C 0.2168(4) 0.2682(2) 0.4045(3) 0.0291(13) Uani 1 1 d . . .
H2 H 0.2202 0.2391 0.3714 0.035 Uiso 1 1 calc R . .
P3 P 0.25061(11) 0.22288(5) 0.21485(6) 0.0203(3) Uani 1 1 d . . .
O3 O 0.7414(3) 0.20473(15) 0.31719(17) 0.0286(9) Uani 1 1 d . . .
C3 C 0.1791(5) 0.2542(3) 0.4488(3) 0.0343(15) Uani 1 1 d . . .
H3 H 0.1549 0.2156 0.4456 0.041 Uiso 1 1 calc R . .
P4 P 0.59183(10) 0.28042(5) 0.74210(6) 0.0182(3) Uani 1 1 d . . .
O4 O 0.7333(3) 0.29257(15) 0.41442(16) 0.0290(9) Uani 1 1 d . . .
C4 C 0.1758(5) 0.2963(3) 0.4988(3) 0.0373(16) Uani 1 1 d . . .
H4 H 0.1492 0.2867 0.5292 0.045 Uiso 1 1 calc R . .
P5 P 0.37846(10) 0.15328(5) 0.70133(6) 0.0185(3) Uani 1 1 d . . .
O5 O 0.5881(3) 0.27508(15) 0.48525(17) 0.0281(9) Uani 1 1 d . . .
C5 C 0.2126(5) 0.3523(3) 0.5026(3) 0.0376(16) Uani 1 1 d . . .
H5 H 0.2125 0.3814 0.5363 0.045 Uiso 1 1 calc R . .
P6 P 0.59533(11) 0.17902(5) 0.82322(6) 0.0210(3) Uani 1 1 d . . .
O6 O 0.4127(3) 0.18905(16) 0.44374(18) 0.0335(10) Uani 1 1 d . . .
C6 C 0.2495(5) 0.3661(2) 0.4573(3) 0.0303(14) Uani 1 1 d . . .
H6 H 0.2745 0.4046 0.4607 0.036 Uiso 1 1 calc R . .
O7 O 0.3119(3) 0.40004(16) 0.82613(18) 0.0354(10) Uani 1 1 d . A .
C7 C 0.3479(4) 0.4169(2) 0.3768(2) 0.0222(12) Uani 1 1 d . . .
O8 O 0.4715(3) 0.40132(15) 0.91537(18) 0.0342(10) Uani 1 1 d . A .
C8 C 0.4531(5) 0.4267(2) 0.4058(3) 0.0300(13) Uani 1 1 d . . .
H8 H 0.4882 0.3954 0.4080 0.036 Uiso 1 1 calc R . .
O9 O 0.4290(3) 0.33389(16) 0.98614(18) 0.0352(10) Uani 1 1 d . A .
C9 C 0.5068(5) 0.4812(2) 0.4314(3) 0.0308(13) Uani 1 1 d . . .
H9 H 0.5786 0.4871 0.4505 0.037 Uiso 1 1 calc R . .
O10 O 0.2753(3) 0.23615(18) 0.94407(19) 0.0414(11) Uani 1 1 d . A .
C10 C 0.4561(5) 0.5274(2) 0.4292(3) 0.0368(15) Uani 1 1 d . . .
H10 H 0.4924 0.5649 0.4475 0.044 Uiso 1 1 calc R . .
O11 O 0.1082(3) 0.23960(18) 0.8611(2) 0.0438(11) Uani 1 1 d . A .
C11 C 0.3522(5) 0.5183(2) 0.4002(3) 0.0384(16) Uani 1 1 d . . .
H11 H 0.3177 0.5497 0.3975 0.046 Uiso 1 1 calc R . .
O12 O 0.1466(3) 0.30498(16) 0.78785(18) 0.0363(10) Uani 1 1 d . A .
C12 C 0.2987(5) 0.4637(2) 0.3752(3) 0.0301(13) Uani 1 1 d . . .
H12 H 0.2267 0.4580 0.3566 0.036 Uiso 1 1 calc R . .
C13 C 0.1499(4) 0.3563(2) 0.3160(2) 0.0204(11) Uani 1 1 d . . .
C14 C 0.0652(4) 0.3637(2) 0.3461(3) 0.0285(14) Uani 1 1 d . . .
H14 H 0.0712 0.3583 0.3824 0.034 Uiso 1 1 calc R . .
C15 C -0.0285(5) 0.3790(2) 0.3228(3) 0.0366(16) Uani 1 1 d . . .
H15 H -0.0863 0.3831 0.3433 0.044 Uiso 1 1 calc R . .
C16 C -0.0389(4) 0.3882(2) 0.2713(3) 0.0340(15) Uani 1 1 d . . .
H16 H -0.1019 0.4001 0.2566 0.041 Uiso 1 1 calc R . .
C17 C 0.0447(5) 0.3798(2) 0.2409(3) 0.0337(14) Uani 1 1 d . . .
H17 H 0.0382 0.3849 0.2044 0.040 Uiso 1 1 calc R . .
C18 C 0.1368(4) 0.3642(2) 0.2632(2) 0.0258(13) Uani 1 1 d . . .
H18 H 0.1930 0.3587 0.2418 0.031 Uiso 1 1 calc R . .
C19 C 0.4249(4) 0.3870(2) 0.2090(2) 0.0239(12) Uani 1 1 d . . .
C20 C 0.4367(4) 0.3842(2) 0.1534(2) 0.0278(13) Uani 1 1 d . . .
H20 H 0.4783 0.3582 0.1343 0.033 Uiso 1 1 calc R . .
C21 C 0.3886(5) 0.4189(2) 0.1258(3) 0.0358(15) Uani 1 1 d . . .
H21 H 0.3970 0.4162 0.0881 0.043 Uiso 1 1 calc R . .
C22 C 0.3287(5) 0.4573(3) 0.1532(3) 0.0373(16) Uani 1 1 d . . .
H22 H 0.2948 0.4805 0.1341 0.045 Uiso 1 1 calc R . .
C23 C 0.3178(5) 0.4620(2) 0.2086(3) 0.0315(14) Uani 1 1 d . . .
H23 H 0.2784 0.4892 0.2278 0.038 Uiso 1 1 calc R . .
C24 C 0.3652(4) 0.4266(2) 0.2358(2) 0.0247(12) Uani 1 1 d . . .
H24 H 0.3565 0.4295 0.2735 0.030 Uiso 1 1 calc R . .
C25 C 0.5907(4) 0.3949(2) 0.2971(2) 0.0210(12) Uani 1 1 d . . .
C26 C 0.6451(4) 0.3831(2) 0.3431(2) 0.0248(13) Uani 1 1 d . . .
H26 H 0.6240 0.3482 0.3504 0.030 Uiso 1 1 calc R . .
C27 C 0.7304(4) 0.4219(2) 0.3788(3) 0.0300(13) Uani 1 1 d . . .
H27 H 0.7658 0.4136 0.4107 0.036 Uiso 1 1 calc R . .
C28 C 0.7644(4) 0.4727(2) 0.3683(3) 0.0325(14) Uani 1 1 d . . .
H28 H 0.8233 0.4987 0.3924 0.039 Uiso 1 1 calc R . .
C29 C 0.7109(5) 0.4848(2) 0.3223(3) 0.0356(15) Uani 1 1 d . . .
H29 H 0.7325 0.5195 0.3148 0.043 Uiso 1 1 calc R . .
C30 C 0.6263(4) 0.4464(2) 0.2873(3) 0.0308(14) Uani 1 1 d . . .
H30 H 0.5911 0.4550 0.2555 0.037 Uiso 1 1 calc R . .
C31 C 0.5614(4) 0.3035(2) 0.1982(2) 0.0213(12) Uani 1 1 d . . .
C32 C 0.5081(5) 0.2595(2) 0.1518(3) 0.0297(14) Uani 1 1 d . . .
H32 H 0.4324 0.2498 0.1472 0.036 Uiso 1 1 calc R . .
C33 C 0.5629(5) 0.2292(2) 0.1121(2) 0.0278(13) Uani 1 1 d . . .
H33 H 0.5245 0.1996 0.0807 0.033 Uiso 1 1 calc R . .
C34 C 0.6722(5) 0.2422(2) 0.1184(3) 0.0381(16) Uani 1 1 d . . .
H34 H 0.7098 0.2219 0.0911 0.046 Uiso 1 1 calc R . .
C35 C 0.7278(5) 0.2854(3) 0.1650(3) 0.0434(17) Uani 1 1 d . . .
H35 H 0.8037 0.2944 0.1695 0.052 Uiso 1 1 calc R . .
C36 C 0.6725(5) 0.3158(2) 0.2053(3) 0.0324(14) Uani 1 1 d . . .
H36 H 0.7110 0.3448 0.2373 0.039 Uiso 1 1 calc R . .
C37 C 0.1542(4) 0.2474(2) 0.1675(2) 0.0214(11) Uani 1 1 d . . .
C38 C 0.1973(5) 0.2876(2) 0.1439(2) 0.0286(13) Uani 1 1 d . . .
H38 H 0.2718 0.3021 0.1538 0.034 Uiso 1 1 calc R . .
C39 C 0.1341(5) 0.3070(3) 0.1063(3) 0.0370(16) Uani 1 1 d . . .
H39 H 0.1650 0.3355 0.0917 0.044 Uiso 1 1 calc R . .
C40 C 0.0267(5) 0.2854(3) 0.0900(3) 0.0445(18) Uani 1 1 d . . .
H40 H -0.0167 0.2977 0.0632 0.053 Uiso 1 1 calc R . .
C41 C -0.0166(5) 0.2457(3) 0.1133(3) 0.0430(17) Uani 1 1 d . . .
H41 H -0.0910 0.2309 0.1028 0.052 Uiso 1 1 calc R . .
C42 C 0.0457(4) 0.2269(2) 0.1518(3) 0.0321(14) Uani 1 1 d . . .
H42 H 0.0138 0.1997 0.1675 0.039 Uiso 1 1 calc R . .
C43 C 0.2924(4) 0.1678(2) 0.1581(2) 0.0250(12) Uani 1 1 d . . .
C44 C 0.2370(5) 0.1478(2) 0.1033(3) 0.0322(14) Uani 1 1 d . . .
H44 H 0.1746 0.1630 0.0936 0.039 Uiso 1 1 calc R . .
C45 C 0.2702(5) 0.1060(2) 0.0621(3) 0.0385(15) Uani 1 1 d . . .
H45 H 0.2327 0.0940 0.0244 0.046 Uiso 1 1 calc R . .
C46 C 0.3601(5) 0.0821(2) 0.0774(3) 0.0395(16) Uani 1 1 d . . .
H46 H 0.3824 0.0526 0.0503 0.047 Uiso 1 1 calc R . .
C47 C 0.4153(5) 0.1013(2) 0.1311(3) 0.0343(14) Uani 1 1 d . . .
H47 H 0.4769 0.0855 0.1410 0.041 Uiso 1 1 calc R . .
C48 C 0.3828(4) 0.1437(2) 0.1715(3) 0.0288(13) Uani 1 1 d . . .
H48 H 0.4224 0.1564 0.2087 0.035 Uiso 1 1 calc R . .
C49 C 0.1531(4) 0.1755(2) 0.2379(2) 0.0236(12) Uani 1 1 d . . .
C50 C 0.1502(4) 0.1166(2) 0.2234(3) 0.0293(13) Uani 1 1 d . . .
H50 H 0.1950 0.0990 0.1986 0.035 Uiso 1 1 calc R . .
C51 C 0.0816(5) 0.0838(2) 0.2456(3) 0.0390(16) Uani 1 1 d . . .
H51 H 0.0802 0.0439 0.2357 0.047 Uiso 1 1 calc R . .
C52 C 0.0160(5) 0.1081(2) 0.2816(3) 0.0369(15) Uani 1 1 d . . .
H52 H -0.0288 0.0855 0.2973 0.044 Uiso 1 1 calc R . .
C53 C 0.0159(5) 0.1666(3) 0.2947(3) 0.0375(15) Uani 1 1 d . . .
H53 H -0.0310 0.1838 0.3183 0.045 Uiso 1 1 calc R . .
C54 C 0.0844(4) 0.1991(2) 0.2731(3) 0.0319(14) Uani 1 1 d . . .
H54 H 0.0844 0.2388 0.2827 0.038 Uiso 1 1 calc R . .
C55 C 0.3297(5) 0.1058(3) 0.3727(3) 0.0480(18) Uani 1 1 d . . .
H55A H 0.2850 0.0684 0.3653 0.058 Uiso 1 1 calc R . .
H55B H 0.2876 0.1296 0.3553 0.058 Uiso 1 1 calc R . .
C56 C 0.3600(5) 0.1335(3) 0.4350(3) 0.0432(17) Uani 1 1 d . . .
H56A H 0.2950 0.1345 0.4528 0.052 Uiso 1 1 calc R . .
H56B H 0.4081 0.1117 0.4519 0.052 Uiso 1 1 calc R . .
C57 C 0.4366(5) 0.2211(3) 0.5016(3) 0.0373(15) Uani 1 1 d . . .
H57A H 0.4862 0.2033 0.5227 0.045 Uiso 1 1 calc R . .
H57B H 0.3699 0.2225 0.5180 0.045 Uiso 1 1 calc R . .
C58 C 0.4870(5) 0.2793(3) 0.5055(3) 0.0383(15) Uani 1 1 d . . .
H58A H 0.4396 0.2962 0.4823 0.046 Uiso 1 1 calc R . .
H58B H 0.4993 0.3036 0.5450 0.046 Uiso 1 1 calc R . .
C59 C 0.6486(5) 0.3284(2) 0.4928(3) 0.0371(15) Uani 1 1 d . . .
H59A H 0.6610 0.3508 0.5329 0.045 Uiso 1 1 calc R . .
H59B H 0.6094 0.3495 0.4705 0.045 Uiso 1 1 calc R . .
C60 C 0.7545(5) 0.3195(2) 0.4735(3) 0.0330(14) Uani 1 1 d . . .
H60A H 0.8018 0.3564 0.4820 0.040 Uiso 1 1 calc R . .
H60B H 0.7909 0.2955 0.4932 0.040 Uiso 1 1 calc R . .
C61 C 0.8285(4) 0.2843(2) 0.3912(3) 0.0292(13) Uani 1 1 d . . .
H61A H 0.8660 0.2578 0.4069 0.035 Uiso 1 1 calc R . .
H61B H 0.8773 0.3209 0.4010 0.035 Uiso 1 1 calc R . .
C62 C 0.7998(5) 0.2607(2) 0.3290(3) 0.0350(15) Uani 1 1 d . . .
H62A H 0.7550 0.2847 0.3134 0.042 Uiso 1 1 calc R . .
H62B H 0.8655 0.2592 0.3117 0.042 Uiso 1 1 calc R . .
C63 C 0.7073(5) 0.1785(3) 0.2579(3) 0.0377(15) Uani 1 1 d . . .
H63A H 0.7695 0.1788 0.2380 0.045 Uiso 1 1 calc R . .
H63B H 0.6548 0.1993 0.2426 0.045 Uiso 1 1 calc R . .
C64 C 0.6570(5) 0.1193(2) 0.2503(3) 0.0357(15) Uani 1 1 d . . .
H64A H 0.6398 0.0982 0.2097 0.043 Uiso 1 1 calc R . .
H64B H 0.7072 0.0998 0.2691 0.043 Uiso 1 1 calc R . .
C65 C 0.5025(5) 0.0664(2) 0.2671(3) 0.0391(16) Uani 1 1 d . . .
H65A H 0.5451 0.0449 0.2873 0.047 Uiso 1 1 calc R . .
H65B H 0.4860 0.0447 0.2267 0.047 Uiso 1 1 calc R . .
C66 C 0.4007(5) 0.0746(3) 0.2901(3) 0.0445(17) Uani 1 1 d . . .
H66A H 0.3623 0.0997 0.2727 0.053 Uiso 1 1 calc R . .
H66B H 0.3534 0.0376 0.2809 0.053 Uiso 1 1 calc R . .
C67 C 0.6938(4) 0.3382(2) 0.7928(3) 0.0248(13) Uani 1 1 d . A .
C68 C 0.6732(5) 0.3640(2) 0.8457(2) 0.0275(13) Uani 1 1 d . . .
H68 H 0.6090 0.3504 0.8566 0.033 Uiso 1 1 calc R A .
C69 C 0.7427(5) 0.4088(2) 0.8831(3) 0.0363(15) Uani 1 1 d . A .
H69 H 0.7255 0.4260 0.9190 0.044 Uiso 1 1 calc R . .
C70 C 0.8384(5) 0.4294(2) 0.8687(3) 0.0432(17) Uani 1 1 d . . .
H70 H 0.8874 0.4598 0.8948 0.052 Uiso 1 1 calc R A .
C71 C 0.8605(5) 0.4045(2) 0.8159(3) 0.0398(16) Uani 1 1 d . A .
H71 H 0.9247 0.4186 0.8052 0.048 Uiso 1 1 calc R . .
C72 C 0.7898(4) 0.3591(2) 0.7779(3) 0.0313(14) Uani 1 1 d . . .
H72 H 0.8066 0.3422 0.7418 0.038 Uiso 1 1 calc R A .
C73 C 0.6792(4) 0.2536(2) 0.6897(2) 0.0213(12) Uani 1 1 d . A .
C74 C 0.7502(4) 0.2173(2) 0.7016(2) 0.0224(12) Uani 1 1 d . . .
H74 H 0.7515 0.2074 0.7356 0.027 Uiso 1 1 calc R A .
C75 C 0.8175(4) 0.1958(2) 0.6654(2) 0.0248(12) Uani 1 1 d . A .
H75 H 0.8662 0.1724 0.6751 0.030 Uiso 1 1 calc R . .
C76 C 0.8145(4) 0.2084(2) 0.6145(2) 0.0281(13) Uani 1 1 d . . .
H76 H 0.8593 0.1927 0.5887 0.034 Uiso 1 1 calc R A .
C77 C 0.7459(5) 0.2439(2) 0.6020(3) 0.0300(13) Uani 1 1 d . A .
H77 H 0.7442 0.2531 0.5675 0.036 Uiso 1 1 calc R . .
C78 C 0.6790(4) 0.2666(2) 0.6391(2) 0.0261(13) Uani 1 1 d . . .
H78 H 0.6327 0.2912 0.6297 0.031 Uiso 1 1 calc R A .
C79 C 0.5216(4) 0.3245(2) 0.7042(2) 0.0202(11) Uani 1 1 d . A .
C80 C 0.5549(5) 0.3824(2) 0.7134(3) 0.0293(13) Uani 1 1 d . . .
H80 H 0.6170 0.4014 0.7402 0.035 Uiso 1 1 calc R A .
C81 C 0.4966(5) 0.4125(2) 0.6832(3) 0.0380(16) Uani 1 1 d . A .
H81 H 0.5191 0.4519 0.6899 0.046 Uiso 1 1 calc R . .
C82 C 0.4069(5) 0.3850(2) 0.6438(3) 0.0315(14) Uani 1 1 d . . .
H82 H 0.3675 0.4055 0.6234 0.038 Uiso 1 1 calc R A .
C83 C 0.3744(5) 0.3275(2) 0.6341(2) 0.0285(13) Uani 1 1 d . A .
H83 H 0.3138 0.3082 0.6063 0.034 Uiso 1 1 calc R . .
C84 C 0.4300(4) 0.2983(2) 0.6648(2) 0.0271(13) Uani 1 1 d . . .
H84 H 0.4051 0.2593 0.6589 0.032 Uiso 1 1 calc R A .
C85 C 0.4366(4) 0.1071(2) 0.6448(2) 0.0198(11) Uani 1 1 d . A .
C86 C 0.4228(4) 0.0480(2) 0.6291(3) 0.0291(13) Uani 1 1 d . . .
H86 H 0.3749 0.0280 0.6458 0.035 Uiso 1 1 calc R A .
C87 C 0.4780(5) 0.0182(3) 0.5897(3) 0.0435(17) Uani 1 1 d . A .
H87 H 0.4694 -0.0220 0.5802 0.052 Uiso 1 1 calc R . .
C88 C 0.5457(5) 0.0468(3) 0.5640(3) 0.0404(16) Uani 1 1 d . . .
H88 H 0.5835 0.0265 0.5368 0.048 Uiso 1 1 calc R A .
C89 C 0.5577(4) 0.1049(2) 0.5782(2) 0.0308(13) Uani 1 1 d . A .
H89 H 0.6031 0.1247 0.5603 0.037 Uiso 1 1 calc R . .
C90 C 0.5052(4) 0.1344(2) 0.6179(2) 0.0242(12) Uani 1 1 d . . .
H90 H 0.5157 0.1746 0.6274 0.029 Uiso 1 1 calc R A .
C91 C 0.2703(4) 0.1708(2) 0.6542(2) 0.0201(11) Uani 1 1 d . A .
C92 C 0.2437(4) 0.1445(2) 0.5967(2) 0.0282(13) Uani 1 1 d . . .
H92 H 0.2838 0.1165 0.5796 0.034 Uiso 1 1 calc R A .
C93 C 0.1601(4) 0.1577(3) 0.5632(3) 0.0337(14) Uani 1 1 d . A .
H93 H 0.1448 0.1395 0.5238 0.040 Uiso 1 1 calc R . .
C94 C 0.0998(4) 0.1973(2) 0.5877(3) 0.0300(14) Uani 1 1 d . . .
H94 H 0.0421 0.2063 0.5654 0.036 Uiso 1 1 calc R A .
C95 C 0.1240(4) 0.2235(2) 0.6445(3) 0.0303(14) Uani 1 1 d . A .
H95 H 0.0819 0.2506 0.6614 0.036 Uiso 1 1 calc R . .
C96 C 0.2084(4) 0.2116(2) 0.6779(3) 0.0275(13) Uani 1 1 d . . .
H96 H 0.2246 0.2310 0.7170 0.033 Uiso 1 1 calc R A .
C97 C 0.2961(4) 0.0986(2) 0.7230(2) 0.0207(11) Uani 1 1 d . A .
C98 C 0.1850(4) 0.0892(2) 0.7135(3) 0.0333(14) Uani 1 1 d . . .
H98 H 0.1464 0.1079 0.6908 0.040 Uiso 1 1 calc R A .
C99 C 0.1294(5) 0.0521(3) 0.7373(3) 0.0422(17) Uani 1 1 d . A .
H99 H 0.0532 0.0465 0.7312 0.051 Uiso 1 1 calc R . .
C100 C 0.1836(5) 0.0237(2) 0.7693(3) 0.0375(15) Uani 1 1 d . . .
H100 H 0.1452 -0.0014 0.7853 0.045 Uiso 1 1 calc R A .
C101 C 0.2940(5) 0.0320(2) 0.7779(3) 0.0316(14) Uani 1 1 d . A .
H101 H 0.3323 0.0125 0.7997 0.038 Uiso 1 1 calc R . .
C102 C 0.3496(4) 0.0691(2) 0.7545(2) 0.0262(13) Uani 1 1 d . . .
H102 H 0.4258 0.0742 0.7603 0.031 Uiso 1 1 calc R A .
C103 C 0.6873(4) 0.1317(2) 0.7893(2) 0.0235(12) Uani 1 1 d . A .
C104 C 0.7876(5) 0.1254(3) 0.8158(3) 0.0387(15) Uani 1 1 d . . .
H104 H 0.8130 0.1464 0.8540 0.046 Uiso 1 1 calc R A .
C105 C 0.8497(5) 0.0892(3) 0.7874(3) 0.0421(17) Uani 1 1 d . A .
H105 H 0.9169 0.0854 0.8062 0.051 Uiso 1 1 calc R . .
C106 C 0.8152(5) 0.0584(2) 0.7320(3) 0.0345(15) Uani 1 1 d . . .
H106 H 0.8575 0.0331 0.7125 0.041 Uiso 1 1 calc R A .
C107 C 0.7184(5) 0.0652(2) 0.7053(3) 0.0382(15) Uani 1 1 d . A .
H107 H 0.6940 0.0444 0.6669 0.046 Uiso 1 1 calc R . .
C108 C 0.6561(5) 0.1014(2) 0.7332(3) 0.0296(13) Uani 1 1 d . . .
H108 H 0.5902 0.1058 0.7135 0.035 Uiso 1 1 calc R A .
C109 C 0.6959(4) 0.2271(2) 0.8818(2) 0.0246(12) Uani 1 1 d . A .
C110 C 0.6917(5) 0.2354(3) 0.9388(3) 0.0345(14) Uani 1 1 d . . .
H110 H 0.6356 0.2138 0.9493 0.041 Uiso 1 1 calc R A .
C111 C 0.7668(6) 0.2739(3) 0.9803(3) 0.0456(17) Uani 1 1 d . A .
H111 H 0.7607 0.2790 1.0187 0.055 Uiso 1 1 calc R . .
C112 C 0.8516(5) 0.3055(3) 0.9668(3) 0.0440(17) Uani 1 1 d . . .
H112 H 0.9033 0.3321 0.9953 0.053 Uiso 1 1 calc R A .
C113 C 0.8581(5) 0.2969(3) 0.9107(3) 0.0396(16) Uani 1 1 d . A .
H113 H 0.9161 0.3176 0.9007 0.047 Uiso 1 1 calc R . .
C114 C 0.7827(4) 0.2590(2) 0.8686(3) 0.0288(13) Uani 1 1 d . . .
H114 H 0.7892 0.2544 0.8303 0.035 Uiso 1 1 calc R A .
C115 C 0.5385(5) 0.1334(2) 0.8637(2) 0.0265(13) Uani 1 1 d . A .
C116 C 0.4504(5) 0.1474(3) 0.8892(3) 0.0360(15) Uani 1 1 d . . .
H116 H 0.4180 0.1785 0.8836 0.043 Uiso 1 1 calc R A .
C117 C 0.4086(6) 0.1169(3) 0.9229(3) 0.0439(17) Uani 1 1 d . A .
H117 H 0.3492 0.1277 0.9404 0.053 Uiso 1 1 calc R . .
C118 C 0.4532(7) 0.0711(3) 0.9308(3) 0.056(2) Uani 1 1 d . . .
H118 H 0.4248 0.0501 0.9536 0.067 Uiso 1 1 calc R A .
C119 C 0.5391(7) 0.0561(3) 0.9053(3) 0.058(2) Uani 1 1 d . A .
H119 H 0.5694 0.0243 0.9106 0.070 Uiso 1 1 calc R . .
C120 C 0.5831(6) 0.0863(3) 0.8719(3) 0.0445(18) Uani 1 1 d . . .
H120 H 0.6427 0.0752 0.8548 0.053 Uiso 1 1 calc R A .
C121 C 0.4196(5) 0.4250(3) 0.8317(3) 0.0404(16) Uani 1 1 d . . .
H12A H 0.4232 0.4558 0.8137 0.048 Uiso 1 1 calc R A .
H12B H 0.4614 0.3962 0.8130 0.048 Uiso 1 1 calc R . .
C122 C 0.4654(5) 0.4480(3) 0.8927(3) 0.0432(17) Uani 1 1 d . A .
H12C H 0.5379 0.4700 0.8977 0.052 Uiso 1 1 calc R . .
H12D H 0.4191 0.4735 0.9123 0.052 Uiso 1 1 calc R . .
C123 C 0.5125(5) 0.4187(3) 0.9740(3) 0.0419(16) Uani 1 1 d . . .
H12E H 0.4609 0.4387 0.9952 0.050 Uiso 1 1 calc R A .
H12F H 0.5812 0.4448 0.9820 0.050 Uiso 1 1 calc R . .
C124 C 0.5296(5) 0.3670(3) 0.9916(3) 0.0464(17) Uani 1 1 d . A .
H12G H 0.5750 0.3449 0.9676 0.056 Uiso 1 1 calc R . .
H12H H 0.5666 0.3782 1.0312 0.056 Uiso 1 1 calc R . .
C125 C 0.4410(6) 0.2832(3) 1.0015(3) 0.0446(17) Uani 1 1 d . . .
H12I H 0.4840 0.2927 1.0396 0.054 Uiso 1 1 calc R A .
H12J H 0.4783 0.2585 0.9746 0.054 Uiso 1 1 calc R . .
C126 C 0.3312(6) 0.2534(3) 1.0005(3) 0.0474(18) Uani 1 1 d . A .
H12K H 0.3368 0.2200 1.0143 0.057 Uiso 1 1 calc R . .
H12L H 0.2920 0.2792 1.0252 0.057 Uiso 1 1 calc R . .
C127 C 0.1696(6) 0.2072(3) 0.9389(4) 0.059(2) Uani 1 1 d . . .
H12M H 0.1268 0.2325 0.9617 0.071 Uiso 1 1 calc R A .
H12N H 0.1724 0.1735 0.9526 0.071 Uiso 1 1 calc R . .
C128 C 0.1189(7) 0.1894(3) 0.8785(4) 0.065(2) Uani 1 1 d . A .
H12O H 0.1641 0.1661 0.8553 0.078 Uiso 1 1 calc R . .
H12P H 0.0475 0.1664 0.8733 0.078 Uiso 1 1 calc R . .
C129 C 0.0484(6) 0.2271(3) 0.8054(3) 0.0536(19) Uani 1 1 d . . .
H12Q H -0.0248 0.2076 0.8037 0.064 Uiso 1 1 calc R A .
H12R H 0.0840 0.2017 0.7782 0.064 Uiso 1 1 calc R . .
C130 C 0.0418(5) 0.2807(3) 0.7903(3) 0.0500(18) Uani 1 1 d . A .
H13A H -0.0049 0.2727 0.7534 0.060 Uiso 1 1 calc R . .
H13B H 0.0108 0.3073 0.8189 0.060 Uiso 1 1 calc R . .
C131 C 0.1453(5) 0.3537(3) 0.7687(3) 0.0439(17) Uani 1 1 d . . .
H13C H 0.1115 0.3822 0.7938 0.053 Uiso 1 1 calc R A .
H13D H 0.1038 0.3433 0.7302 0.053 Uiso 1 1 calc R . .
C132 C 0.2595(6) 0.3771(3) 0.7693(3) 0.0415(16) Uani 1 1 d . A .
H13E H 0.2963 0.3466 0.7492 0.050 Uiso 1 1 calc R . .
H13F H 0.2617 0.4070 0.7501 0.050 Uiso 1 1 calc R . .
H1H H 0.465(4) 0.239(2) 0.270(2) 0.024(14) Uiso 1 1 d . . .
H2H H 0.475(4) 0.313(2) 0.347(2) 0.031(15) Uiso 1 1 d . . .
H3H H 0.348(3) 0.2360(16) 0.3187(18) 0.000(10) Uiso 1 1 d . . .
H4H H 0.382(4) 0.2005(18) 0.805(2) 0.012(12) Uiso 1 1 d . . .
H5H H 0.519(5) 0.273(2) 0.836(3) 0.043(17) Uiso 1 1 d . . .
H6H H 0.394(4) 0.260(2) 0.757(2) 0.023(14) Uiso 1 1 d . . .
O1S O 0.8532(4) 0.1712(2) 0.4747(2) 0.0549(13) Uani 1 1 d . . .
C1S C 0.7413(5) 0.1550(3) 0.4574(3) 0.0505(18) Uani 1 1 d . . .
H1S1 H 0.7081 0.1883 0.4538 0.061 Uiso 1 1 calc R . .
H1S2 H 0.7099 0.1408 0.4861 0.061 Uiso 1 1 calc R . .
O2S O 0.1834(7) 0.3753(3) 0.9297(4) 0.037(2) Uiso 0.50 1 d P A 1
C2S C 0.7186(7) 0.1110(3) 0.4037(4) 0.069(2) Uani 1 1 d . . .
H2S1 H 0.6615 0.0805 0.4041 0.083 Uiso 1 1 calc R . .
H2S2 H 0.6947 0.1269 0.3729 0.083 Uiso 1 1 calc R . .
O3S O 0.2911(7) -0.0313(3) 0.9581(4) 0.047(2) Uani 0.50 1 d P . .
C3S C 0.8179(7) 0.0889(4) 0.3958(4) 0.078(3) Uani 1 1 d . . .
H3S1 H 0.8292 0.0822 0.3563 0.093 Uiso 1 1 calc R . .
H3S2 H 0.8174 0.0529 0.4057 0.093 Uiso 1 1 calc R . .
O4S O 0.9321(6) 0.5995(4) 0.3590(4) 0.138(3) Uani 1 1 d . . .
C4S C 0.9045(6) 0.1348(3) 0.4355(4) 0.057(2) Uani 1 1 d . . .
H4S1 H 0.9574 0.1177 0.4554 0.069 Uiso 1 1 calc R . .
H4S2 H 0.9425 0.1566 0.4140 0.069 Uiso 1 1 calc R . .
O5S O 0.0286(10) 0.0790(5) 0.9451(6) 0.092(4) Uani 0.50 1 d P . .
C5S C 0.1638(12) 0.3718(6) 0.9826(7) 0.040(3) Uiso 0.50 1 d P A 1
O6S O -0.0119(7) 0.5489(5) 0.5106(5) 0.056(3) Uani 0.50 1 d P . .
C6S C 0.1217(11) 0.4154(6) 1.0164(6) 0.039(3) Uiso 0.50 1 d P A 1
O7S O 0.1355(7) 0.0375(2) 0.4457(3) 0.117(3) Uani 1 1 d . . .
C7S C 0.1399(18) 0.4665(9) 0.9857(9) 0.071(5) Uiso 0.50 1 d P A 1
O8S O 0.0731(18) 0.5338(10) 0.8512(12) 0.156(7) Uiso 0.50 1 d P B 1
C8S C 0.1535(9) 0.4272(5) 0.9251(5) 0.029(3) Uiso 0.50 1 d P A 1
C9S C 0.2049(13) -0.0207(5) 0.9246(7) 0.056(4) Uani 0.50 1 d P . .
H9S1 H 0.2274 0.0124 0.9116 0.067 Uiso 0.50 1 calc PR . .
H9S2 H 0.1466 -0.0120 0.9466 0.067 Uiso 0.50 1 calc PR . .
C10S C 0.1646(11) -0.0729(4) 0.8740(5) 0.037(3) Uani 0.50 1 d P . .
H10A H 0.0854 -0.0827 0.8675 0.044 Uiso 0.50 1 calc PR . .
H10B H 0.1880 -0.0676 0.8394 0.044 Uiso 0.50 1 calc PR . .
C11S C 0.2171(12) -0.1158(5) 0.8927(5) 0.044(3) Uani 0.50 1 d P . .
H11A H 0.1694 -0.1359 0.9117 0.053 Uiso 0.50 1 calc PR . .
H11B H 0.2355 -0.1440 0.8603 0.053 Uiso 0.50 1 calc PR . .
C12S C 0.3132(10) -0.0850(6) 0.9314(6) 0.048(4) Uani 0.50 1 d P . .
H12S H 0.3328 -0.1050 0.9595 0.058 Uiso 0.50 1 calc PR . .
H12T H 0.3738 -0.0817 0.9108 0.058 Uiso 0.50 1 calc PR . .
C13S C 1.0279(7) 0.6410(4) 0.3893(5) 0.096(4) Uani 1 1 d . . .
H13G H 1.0254 0.6552 0.4300 0.115 Uiso 1 1 calc R . .
H13H H 1.0366 0.6734 0.3736 0.115 Uiso 1 1 calc R . .
C14S C 1.1151(7) 0.6055(4) 0.3786(5) 0.082(3) Uani 1 1 d . . .
H14A H 1.1798 0.6282 0.3731 0.099 Uiso 1 1 calc R . .
H14B H 1.1347 0.5904 0.4106 0.099 Uiso 1 1 calc R . .
C15S C 0.9597(11) 0.5634(6) 0.3160(5) 0.145(7) Uani 1 1 d . . .
H15A H 0.9456 0.5759 0.2818 0.174 Uiso 1 1 calc R . .
H15B H 0.9171 0.5254 0.3086 0.174 Uiso 1 1 calc R . .
C16S C 1.0721(12) 0.5608(5) 0.3291(6) 0.130(5) Uani 1 1 d . . .
H16A H 1.0820 0.5238 0.3352 0.157 Uiso 1 1 calc R . .
H16B H 1.1088 0.5651 0.2977 0.157 Uiso 1 1 calc R . .
C17S C -0.1300(16) 0.1041(11) 0.9609(9) 0.106(8) Uani 0.50 1 d P . .
H17A H -0.1430 0.1310 0.9388 0.127 Uiso 0.50 1 calc PR . .
H17B H -0.1768 0.1089 0.9899 0.127 Uiso 0.50 1 calc PR . .
C18S C -0.1486(12) 0.0460(8) 0.9245(9) 0.084(7) Uani 0.50 1 d P . .
H18A H -0.1888 0.0205 0.9418 0.101 Uiso 0.50 1 calc PR . .
H18B H -0.1903 0.0433 0.8875 0.101 Uiso 0.50 1 calc PR . .
C19S C -0.0453(19) 0.0307(8) 0.9184(9) 0.110(9) Uani 0.50 1 d P . .
H19A H -0.0327 0.0003 0.9359 0.132 Uiso 0.50 1 calc PR . .
H19B H -0.0394 0.0170 0.8781 0.132 Uiso 0.50 1 calc PR . .
C20S C -0.0306(15) 0.1117(9) 0.9833(9) 0.094(7) Uani 0.50 1 d P . .
H20A H -0.0244 0.1003 1.0183 0.113 Uiso 0.50 1 calc PR . .
H20B H -0.0003 0.1524 0.9931 0.113 Uiso 0.50 1 calc PR . .
C21S C -0.1027(13) 0.5073(5) 0.5256(8) 0.055(5) Uani 0.50 1 d P . 2
C22S C -0.0596(12) 0.5045(8) 0.5209(7) 0.058(5) Uani 0.50 1 d P . 1
C23S C 0.0952(10) 0.5518(5) 0.4976(6) 0.038(3) Uani 0.50 1 d P . 1
C24S C 0.1785(8) 0.0072(3) 0.4792(5) 0.091(3) Uani 1 1 d . . .
H24A H 0.1508 0.0158 0.5152 0.109 Uiso 1 1 calc R . .
H24B H 0.2577 0.0172 0.4875 0.109 Uiso 1 1 calc R . .
C25S C 0.1466(8) -0.0541(3) 0.4479(4) 0.086(3) Uani 1 1 d . . .
H25A H 0.2078 -0.0701 0.4323 0.104 Uiso 1 1 calc R . .
H25B H 0.1214 -0.0757 0.4729 0.104 Uiso 1 1 calc R . .
C26S C 0.0594(6) -0.0561(3) 0.4026(4) 0.060(2) Uani 1 1 d . . .
H26A H -0.0089 -0.0760 0.4077 0.072 Uiso 1 1 calc R . .
H26B H 0.0763 -0.0760 0.3655 0.072 Uiso 1 1 calc R . .
C27S C 0.0513(8) 0.0044(3) 0.4068(4) 0.086(3) Uani 1 1 d . . .
H27A H 0.0541 0.0112 0.3698 0.103 Uiso 1 1 calc R . .
H27B H -0.0174 0.0137 0.4185 0.103 Uiso 1 1 calc R . .
C28S C 0.0869(17) 0.5604(9) 0.8898(10) 0.079(5) Uiso 0.50 1 d P C 2
C29S C 0.1214(19) 0.5896(9) 0.8839(9) 0.081(5) Uiso 0.50 1 d P B 1
C30S C 0.213(3) 0.5948(13) 0.9026(14) 0.130(9) Uiso 0.50 1 d P C 2
C31S C 0.2796(13) 0.5512(7) 0.8981(8) 0.058(4) Uiso 0.50 1 d P C 2
C32S C 0.2661(15) 0.5648(8) 0.8670(10) 0.068(5) Uiso 0.50 1 d P B 1
C33S C 0.185(2) 0.5258(9) 0.8191(10) 0.086(6) Uiso 0.50 1 d P B 1
C34S C 0.2397(18) 0.5346(10) 0.8376(11) 0.081(5) Uiso 0.50 1 d P C 2
C35S C 0.220(2) 0.5780(11) 0.9261(12) 0.104(7) Uiso 0.50 1 d P B 1
C36S C 0.030(3) 0.5456(18) 0.4947(19) 0.183(17) Uiso 0.50 1 d P . 2
O2SA O 0.219(2) 0.4018(13) 0.9485(14) 0.232(11) Uiso 0.50 1 d P A 2
C5SA C 0.137(2) 0.3579(13) 0.9772(15) 0.124(9) Uiso 0.50 1 d P A 2
C6SA C 0.075(2) 0.4252(12) 1.0015(13) 0.123(8) Uiso 0.50 1 d P A 2
C7SA C 0.115(5) 0.459(2) 0.961(3) 0.25(2) Uiso 0.50 1 d P A 2
O8SA O 0.1076(16) 0.5113(7) 0.8286(8) 0.113(5) Uiso 0.50 1 d P C 2
C8SA C 0.222(3) 0.4719(12) 0.9900(13) 0.131(9) Uiso 0.50 1 d P A 2
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
Os1 P1 2.3021(14) . ?
Os1 P3 2.3075(15) . ?
Os1 P2 2.3145(12) . ?
Os1 K1 3.5366(11) . ?
Os1 H1H 1.64(5) . ?
Os1 H2H 1.73(6) . ?
Os1 H3H 1.59(4) . ?
K1 O6 2.822(4) . ?
K1 O2 2.828(4) . ?
K1 O4 2.897(4) . ?
K1 O1 2.913(4) . ?
K1 O5 2.928(4) . ?
K1 O3 3.003(4) . ?
K1 H1H 2.73(5) . ?
K1 H2H 2.85(5) . ?
K1 H3H 2.74(4) . ?
P1 C13 1.853(5) . ?
P1 C1 1.865(5) . ?
P1 C7 1.867(5) . ?
O1 C55 1.416(8) . ?
O1 C66 1.417(8) . ?
C1 C6 1.382(8) . ?
C1 C2 1.404(7) . ?
Os2 P6 2.3111(13) . ?
Os2 P5 2.3142(14) . ?
Os2 P4 2.3143(12) . ?
Os2 K2 3.6292(13) . ?
Os2 H4H 1.62(4) . ?
Os2 H5H 1.62(6) . ?
Os2 H6H 1.62(5) . ?
K2 O12 2.805(4) . ?
K2 O8 2.818(4) . ?
K2 O10 2.871(4) . ?
K2 O11 2.881(4) . ?
K2 O2S 2.883(9) . ?
K2 O7 2.916(4) . ?
K2 O9 2.928(4) . ?
K2 O2SA 3.20(3) . ?
K2 H4H 2.88(5) . ?
K2 H5H 2.91(6) . ?
K2 H6H 3.05(5) . ?
P2 C31 1.863(5) . ?
P2 C25 1.866(6) . ?
P2 C19 1.869(5) . ?
O2 C64 1.422(7) . ?
O2 C65 1.424(6) . ?
C2 C3 1.379(8) . ?
C2 H2 0.9500 . ?
P3 C37 1.863(5) . ?
P3 C43 1.864(6) . ?
P3 C49 1.866(5) . ?
O3 C62 1.433(6) . ?
O3 C63 1.434(8) . ?
C3 C4 1.403(9) . ?
C3 H3 0.9500 . ?
P4 C79 1.864(5) . ?
P4 C73 1.864(5) . ?
P4 C67 1.872(6) . ?
O4 C61 1.422(7) . ?
O4 C60 1.423(7) . ?
C4 C5 1.389(8) . ?
C4 H4 0.9500 . ?
P5 C85 1.857(5) . ?
P5 C97 1.860(5) . ?
P5 C91 1.864(5) . ?
O5 C59 1.405(6) . ?
O5 C58 1.447(6) . ?
C5 C6 1.393(8) . ?
C5 H5 0.9500 . ?
P6 C109 1.850(6) . ?
P6 C115 1.862(5) . ?
P6 C103 1.870(5) . ?
O6 C56 1.410(7) . ?
O6 C57 1.424(8) . ?
C6 H6 0.9500 . ?
O7 C121 1.410(7) . ?
O7 C132 1.421(8) . ?
C7 C12 1.390(7) . ?
C7 C8 1.398(8) . ?
O8 C123 1.422(8) . ?
O8 C122 1.430(6) . ?
C8 C9 1.382(8) . ?
C8 H8 0.9500 . ?
O9 C124 1.409(7) . ?
O9 C125 1.432(6) . ?
C9 C10 1.390(8) . ?
C9 H9 0.9500 . ?
O10 C126 1.423(8) . ?
O10 C127 1.424(8) . ?
C10 C11 1.386(9) . ?
C10 H10 0.9500 . ?
O11 C129 1.434(8) . ?
O11 C128 1.443(8) . ?
C11 C12 1.381(8) . ?
C11 H11 0.9500 . ?
O12 C130 1.415(7) . ?
O12 C131 1.418(7) . ?
C12 H12 0.9500 . ?
C13 C18 1.382(7) . ?
C13 C14 1.394(7) . ?
C14 C15 1.397(8) . ?
C14 H14 0.9500 . ?
C15 C16 1.364(9) . ?
C15 H15 0.9500 . ?
C16 C17 1.390(8) . ?
C16 H16 0.9500 . ?
C17 C18 1.375(7) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.391(7) . ?
C19 C20 1.405(8) . ?
C20 C21 1.390(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.381(9) . ?
C21 H21 0.9500 . ?
C22 C23 1.386(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.396(7) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.385(7) . ?
C25 C30 1.403(7) . ?
C26 C27 1.395(8) . ?
C26 H26 0.9500 . ?
C27 C28 1.390(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.385(8) . ?
C28 H28 0.9500 . ?
C29 C30 1.378(8) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C36 1.389(7) . ?
C31 C32 1.391(8) . ?
C32 C33 1.389(8) . ?
C32 H32 0.9500 . ?
C33 C34 1.370(8) . ?
C33 H33 0.9500 . ?
C34 C35 1.394(10) . ?
C34 H34 0.9500 . ?
C35 C36 1.405(8) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C42 1.381(7) . ?
C37 C38 1.391(7) . ?
C38 C39 1.380(7) . ?
C38 H38 0.9500 . ?
C39 C40 1.376(8) . ?
C39 H39 0.9500 . ?
C40 C41 1.376(9) . ?
C40 H40 0.9500 . ?
C41 C42 1.381(8) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.386(8) . ?
C43 C48 1.401(7) . ?
C44 C45 1.398(8) . ?
C44 H44 0.9500 . ?
C45 C46 1.404(8) . ?
C45 H45 0.9500 . ?
C46 C47 1.365(9) . ?
C46 H46 0.9500 . ?
C47 C48 1.388(8) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C54 1.387(8) . ?
C49 C50 1.403(7) . ?
C50 C51 1.395(7) . ?
C50 H50 0.9500 . ?
C51 C52 1.373(9) . ?
C51 H51 0.9500 . ?
C52 C53 1.399(8) . ?
C52 H52 0.9500 . ?
C53 C54 1.379(7) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C56 1.501(10) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C58 1.485(8) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.509(8) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C61 C62 1.487(9) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.487(8) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 C66 1.498(9) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C68 1.379(8) . ?
C67 C72 1.408(7) . ?
C68 C69 1.375(8) . ?
C68 H68 0.9500 . ?
C69 C70 1.394(9) . ?
C69 H69 0.9500 . ?
C70 C71 1.379(9) . ?
C70 H70 0.9500 . ?
C71 C72 1.396(9) . ?
C71 H71 0.9500 . ?
C72 H72 0.9500 . ?
C73 C78 1.392(7) . ?
C73 C74 1.408(7) . ?
C74 C75 1.372(7) . ?
C74 H74 0.9500 . ?
C75 C76 1.390(8) . ?
C75 H75 0.9500 . ?
C76 C77 1.377(7) . ?
C76 H76 0.9500 . ?
C77 C78 1.390(8) . ?
C77 H77 0.9500 . ?
C78 H78 0.9500 . ?
C79 C84 1.391(8) . ?
C79 C80 1.397(7) . ?
C80 C81 1.404(7) . ?
C80 H80 0.9500 . ?
C81 C82 1.380(8) . ?
C81 H81 0.9500 . ?
C82 C83 1.385(8) . ?
C82 H82 0.9500 . ?
C83 C84 1.379(7) . ?
C83 H83 0.9500 . ?
C84 H84 0.9500 . ?
C85 C90 1.395(7) . ?
C85 C86 1.395(7) . ?
C86 C87 1.386(8) . ?
C86 H86 0.9500 . ?
C87 C88 1.384(8) . ?
C87 H87 0.9500 . ?
C88 C89 1.374(8) . ?
C88 H88 0.9500 . ?
C89 C90 1.362(8) . ?
C89 H89 0.9500 . ?
C90 H90 0.9500 . ?
C91 C92 1.388(8) . ?
C91 C96 1.406(7) . ?
C92 C93 1.393(7) . ?
C92 H92 0.9500 . ?
C93 C94 1.377(8) . ?
C93 H93 0.9500 . ?
C94 C95 1.372(9) . ?
C94 H94 0.9500 . ?
C95 C96 1.384(7) . ?
C95 H95 0.9500 . ?
C96 H96 0.9500 . ?
C97 C98 1.384(7) . ?
C97 C102 1.385(7) . ?
C98 C99 1.404(8) . ?
C98 H98 0.9500 . ?
C99 C100 1.377(9) . ?
C99 H99 0.9500 . ?
C100 C101 1.375(8) . ?
C100 H100 0.9500 . ?
C101 C102 1.396(7) . ?
C101 H101 0.9500 . ?
C102 H102 0.9500 . ?
C103 C108 1.381(8) . ?
C103 C104 1.407(8) . ?
C104 C105 1.378(8) . ?
C104 H104 0.9500 . ?
C105 C106 1.374(9) . ?
C105 H105 0.9500 . ?
C106 C107 1.374(8) . ?
C106 H106 0.9500 . ?
C107 C108 1.375(8) . ?
C107 H107 0.9500 . ?
C108 H108 0.9500 . ?
C109 C110 1.396(8) . ?
C109 C114 1.413(7) . ?
C110 C111 1.378(9) . ?
C110 H110 0.9500 . ?
C111 C112 1.392(9) . ?
C111 H111 0.9500 . ?
C112 C113 1.378(9) . ?
C112 H112 0.9500 . ?
C113 C114 1.381(8) . ?
C113 H113 0.9500 . ?
C114 H114 0.9500 . ?
C115 C116 1.394(8) . ?
C115 C120 1.410(7) . ?
C116 C117 1.394(8) . ?
C116 H116 0.9500 . ?
C117 C118 1.377(9) . ?
C117 H117 0.9500 . ?
C118 C119 1.374(10) . ?
C118 H118 0.9500 . ?
C119 C120 1.395(8) . ?
C119 H119 0.9500 . ?
C120 H120 0.9500 . ?
C121 C122 1.488(10) . ?
C121 H12A 0.9900 . ?
C121 H12B 0.9900 . ?
C122 H12C 0.9900 . ?
C122 H12D 0.9900 . ?
C123 C124 1.495(8) . ?
C123 H12E 0.9900 . ?
C123 H12F 0.9900 . ?
C124 H12G 0.9900 . ?
C124 H12H 0.9900 . ?
C125 C126 1.497(9) . ?
C125 H12I 0.9900 . ?
C125 H12J 0.9900 . ?
C126 H12K 0.9900 . ?
C126 H12L 0.9900 . ?
C127 C128 1.489(11) . ?
C127 H12M 0.9900 . ?
C127 H12N 0.9900 . ?
C128 H12O 0.9900 . ?
C128 H12P 0.9900 . ?
C129 C130 1.486(9) . ?
C129 H12Q 0.9900 . ?
C129 H12R 0.9900 . ?
C130 H13A 0.9900 . ?
C130 H13B 0.9900 . ?
C131 C132 1.499(9) . ?
C131 H13C 0.9900 . ?
C131 H13D 0.9900 . ?
C132 H13E 0.9900 . ?
C132 H13F 0.9900 . ?
O1S C1S 1.411(8) . ?
O1S C4S 1.422(9) . ?
C1S C2S 1.455(11) . ?
C1S H1S1 0.9900 . ?
C1S H1S2 0.9900 . ?
O2S C5S 1.404(19) . ?
O2S C8S 1.415(14) . ?
C2S C3S 1.448(10) . ?
C2S H2S1 0.9900 . ?
C2S H2S2 0.9900 . ?
O3S C9S 1.386(17) . ?
O3S C12S 1.398(15) . ?
C3S C4S 1.520(11) . ?
C3S H3S1 0.9900 . ?
C3S H3S2 0.9900 . ?
O4S C15S 1.318(14) . ?
O4S C13S 1.471(12) . ?
C4S H4S1 0.9900 . ?
C4S H4S2 0.9900 . ?
O5S C19S 1.38(2) . ?
O5S C20S 1.43(2) . ?
C5S C6S 1.39(2) . ?
O6S C36S 0.71(4) . ?
O6S C22S 1.304(18) . ?
O6S C23S 1.439(15) . ?
O6S C21S 1.613(16) . ?
O6S C22S 1.76(2) 2_566 ?
C6S C7S 1.66(2) . ?
O7S C27S 1.365(11) . ?
O7S C24S 1.376(10) . ?
C7S C8S 1.61(3) . ?
O8S C29S 1.42(3) . ?
O8S C33S 1.73(3) . ?
C9S C10S 1.527(18) . ?
C9S H9S1 0.9900 . ?
C9S H9S2 0.9900 . ?
C10S C11S 1.468(15) . ?
C10S H10A 0.9900 . ?
C10S H10B 0.9900 . ?
C11S C12S 1.448(18) . ?
C11S H11A 0.9900 . ?
C11S H11B 0.9900 . ?
C12S H12S 0.9900 . ?
C12S H12T 0.9900 . ?
C13S C14S 1.501(12) . ?
C13S H13G 0.9900 . ?
C13S H13H 0.9900 . ?
C14S C16S 1.415(15) . ?
C14S H14A 0.9900 . ?
C14S H14B 0.9900 . ?
C15S C16S 1.437(17) . ?
C15S H15A 0.9900 . ?
C15S H15B 0.9900 . ?
C16S H16A 0.9900 . ?
C16S H16B 0.9900 . ?
C17S C20S 1.29(2) . ?
C17S C18S 1.46(3) . ?
C17S H17A 0.9900 . ?
C17S H17B 0.9900 . ?
C18S C19S 1.42(3) . ?
C18S H18A 0.9900 . ?
C18S H18B 0.9900 . ?
C19S H19A 0.9900 . ?
C19S H19B 0.9900 . ?
C20S H20A 0.9900 . ?
C20S H20B 0.9900 . ?
C21S C36S 1.69(4) 2_566 ?
C22S C23S 1.35(2) 2_566 ?
C22S O6S 1.76(2) 2_566 ?
C22S C22S 1.95(3) 2_566 ?
C23S C22S 1.35(2) 2_566 ?
C24S C25S 1.489(11) . ?
C24S H24A 0.9900 . ?
C24S H24B 0.9900 . ?
C25S C26S 1.468(11) . ?
C25S H25A 0.9900 . ?
C25S H25B 0.9900 . ?
C26S C27S 1.495(10) . ?
C26S H26A 0.9900 . ?
C26S H26B 0.9900 . ?
C27S H27A 0.9900 . ?
C27S H27B 0.9900 . ?
C28S C30S 1.67(4) . ?
C28S O8SA 1.75(3) . ?
C29S C35S 1.64(3) . ?
C30S C31S 1.44(3) . ?
C30S C34S 1.98(4) . ?
C31S C34S 1.46(3) . ?
C32S C33S 1.50(3) . ?
C32S C35S 1.63(3) . ?
C34S O8SA 1.68(3) . ?
C36S C21S 1.69(4) 2_566 ?
O2SA C8SA 1.76(4) . ?
O2SA C5SA 1.78(4) . ?
C5SA C6SA 1.91(4) . ?
C6SA C7SA 1.58(6) . ?
C7SA C8SA 1.42(6) . ?
