#------------------------------------------------------------------------------
#$Date: 2018-08-14 18:38:52 +0300 (Tue, 14 Aug 2018) $
#$Revision: 209689 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/31/7113166.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_7113166
loop_
_publ_author_name
'Rodriguez-Zubiri, Mireia'
'Gallo, Vito'
'Rosé, Jacky'
'Welter, Richard'
'Braunstein, Pierre'
_publ_section_title
;
 Assembling metals and clusters around an octaphosphine ligand based on
 N-substituted bis(diphenylphosphanyl)amines: structural characterization
 of dendrimer-like Co₁₂ and Co₁₆ branched clusters
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   1
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              64
_journal_page_last               66
_journal_paper_doi               10.1039/b713540h
_journal_year                    2008
_chemical_formula_moiety         'C242 H186 Co16 N8 O32 P16 S4, 2(C H2 Cl2)'
_chemical_formula_sum            'C244 H190 Cl4 Co16 N8 O32 P16 S4'
_chemical_formula_weight         5454.48
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.6200(9)
_cell_angle_beta                 97.8450(9)
_cell_angle_gamma                116.4261(15)
_cell_formula_units_Z            1
_cell_length_a                   18.7300(4)
_cell_length_b                   19.7900(4)
_cell_length_c                   20.4200(7)
_cell_measurement_reflns_used    23235
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     6522.7(3)
_computing_cell_refinement       'Denzo (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Nonius B.V., 1998)'
_computing_molecular_graphics    'PLATON 98 (Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'π scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1167
_diffrn_reflns_av_sigmaI/netI    0.2821
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            43918
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_diffrn_reflns_theta_min         1.04
_exptl_absorpt_coefficient_mu    1.222
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2770
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.989
_refine_diff_density_min         -0.896
_refine_diff_density_rms         0.265
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.229
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1486
_refine_ls_number_reflns         29507
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.229
_refine_ls_R_factor_all          0.3234
_refine_ls_R_factor_gt           0.1615
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0600P)²+60.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2633
_refine_ls_wR_factor_ref         0.3302
_reflns_number_gt                12040
_reflns_number_total             29507
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             7102767
_cod_data_source_file            b713540h.txt
_cod_data_source_block           spider_Co16
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (17
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (114
times).

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_database_code               7113166
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
Co1 Co 0.52694(10) -0.04568(10) 0.81253(10) 0.0407(5) Uani 1 1 d .
Co2 Co 0.53534(10) 0.03673(10) 0.72611(9) 0.0389(5) Uani 1 1 d .
Co3 Co 0.52900(11) 0.08306(10) 0.84380(9) 0.0411(5) Uani 1 1 d .
Co4 Co 0.65284(10) 0.08249(10) 0.82497(10) 0.0430(5) Uani 1 1 d .
Co5 Co -0.14818(11) -0.27976(10) 0.72202(10) 0.0454(5) Uani 1 1 d .
Co6 Co -0.29196(11) -0.35454(11) 0.67042(10) 0.0462(5) Uani 1 1 d .
Co7 Co -0.23589(11) -0.39164(10) 0.76627(10) 0.0437(5) Uani 1 1 d .
Co8 Co -0.24438(11) -0.26553(11) 0.78991(10) 0.0486(5) Uani 1 1 d .
Cl1 Cl 0.8925(7) 0.0598(6) 0.6666(9) 0.166(7) Uani 0.50 1 d P
Cl2 Cl 0.8392(6) -0.0555(8) 0.5494(7) 0.113(4) Uani 0.50 1 d P
Cl3 Cl 0.0085(8) 0.1894(7) 0.8495(6) 0.115(4) Uani 0.50 1 d P
Cl4 Cl 0.0138(7) 0.0481(6) 0.8066(5) 0.096(3) Uani 0.50 1 d P
S1 S 0.2219(2) -0.3407(2) 0.5304(2) 0.0647(12) Uani 1 1 d .
S2 S -0.1691(2) -0.4617(2) 0.3852(2) 0.0566(11) Uani 1 1 d .
P1 P 0.4016(2) -0.13563(19) 0.76090(19) 0.0408(9) Uani 1 1 d .
P2 P 0.4589(2) -0.0712(2) 0.64775(19) 0.0412(9) Uani 1 1 d .
P3 P 0.5717(2) 0.2066(2) 0.85770(19) 0.0434(9) Uani 1 1 d .
P4 P 0.7240(2) 0.2067(2) 0.8353(2) 0.0462(10) Uani 1 1 d .
P5 P -0.1030(2) -0.3280(2) 0.64586(19) 0.0432(9) Uani 1 1 d .
P6 P -0.2793(2) -0.4243(2) 0.58376(19) 0.0445(10) Uani 1 1 d .
P7 P -0.2445(2) -0.3985(2) 0.8692(2) 0.0488(10) Uani 1 1 d .
P8 P -0.1821(2) -0.2312(2) 0.8989(2) 0.0500(10) Uani 1 1 d .
O1 O -0.4154(7) -0.3207(8) 0.7987(7) 0.103(5) Uani 1 1 d .
O2 O -0.4509(7) -0.3762(7) 0.6033(7) 0.095(4) Uani 1 1 d .
O3 O -0.2159(6) -0.2046(6) 0.6366(5) 0.058(3) Uani 1 1 d .
O4 O -0.2012(7) -0.1068(7) 0.7760(7) 0.084(4) Uani 1 1 d .
O5 O -0.4147(6) -0.4803(6) 0.7170(6) 0.071(3) Uani 1 1 d .
O6 O -0.0608(6) -0.3098(6) 0.8334(5) 0.056(3) Uani 1 1 d .
O7 O -0.2456(7) -0.5445(6) 0.7341(6) 0.076(4) Uani 1 1 d .
O8 O -0.0058(6) -0.1255(6) 0.7633(6) 0.084(4) Uani 1 1 d .
O9 O 0.4021(6) 0.0497(6) 0.9202(6) 0.066(3) Uani 1 1 d .
O10 O 0.6424(6) 0.0981(6) 0.9676(6) 0.058(3) Uani 1 1 d .
O11 O 0.6812(6) 0.0299(6) 0.6931(5) 0.060(3) Uani 1 1 d .
O12 O 0.7881(7) 0.0554(7) 0.8750(6) 0.084(4) Uani 1 1 d .
O13 O 0.3849(5) 0.0458(5) 0.7411(4) 0.048(3) Uani 1 1 d .
O14 O 0.5537(7) 0.1417(6) 0.6354(6) 0.065(3) Uani 1 1 d .
O15 O 0.6333(6) -0.1155(6) 0.7891(6) 0.073(4) Uani 1 1 d .
O16 O 0.5070(7) -0.0801(7) 0.9443(7) 0.084(4) Uani 1 1 d .
N1 N 0.3855(6) -0.1433(6) 0.6758(5) 0.046(3) Uani 1 1 d .
N2 N 0.6678(6) 0.2537(6) 0.8446(6) 0.049(3) Uani 1 1 d .
N3 N -0.1795(6) -0.4012(6) 0.5828(5) 0.043(3) Uani 1 1 d .
N4 N -0.1924(7) -0.3115(6) 0.9272(6) 0.046(3) Uani 1 1 d .
C1 C 0.0353(8) -0.4285(8) 0.4868(7) 0.048(4) Uani 1 1 d .
H1 H 0.0606 -0.3782 0.4781 0.057 Uiso 1 1 calc .
C2 C 0.0731(8) -0.4421(8) 0.5426(7) 0.045(4) Uani 1 1 d .
C3 C -0.0374(8) -0.4843(8) 0.4431(7) 0.047(4) Uani 1 1 d .
C4 C 0.1541(8) -0.3770(8) 0.5863(8) 0.052(4) Uani 1 1 d .
H4A H 0.1779 -0.3968 0.6201 0.063 Uiso 1 1 calc .
H4B H 0.1459 -0.3350 0.6110 0.063 Uiso 1 1 calc .
C5 C 0.3057(8) -0.1340(8) 0.8537(8) 0.050(4) Uani 1 1 d .
H5 H 0.3419 -0.1442 0.8827 0.060 Uiso 1 1 calc .
C6 C 0.2428(9) -0.1257(9) 0.8769(8) 0.057(4) Uani 1 1 d .
H6 H 0.2360 -0.1301 0.9216 0.069 Uiso 1 1 calc .
C7 C 0.2727(9) -0.0856(10) 0.4665(8) 0.064(5) Uani 1 1 d .
H7 H 0.2295 -0.0933 0.4308 0.077 Uiso 1 1 calc .
C8 C 0.0798(9) -0.3354(10) 0.7697(8) 0.060(4) Uani 1 1 d .
H8 H 0.1316 -0.2982 0.7981 0.072 Uiso 1 1 calc .
C9 C 0.0354(8) -0.3122(8) 0.7288(7) 0.049(4) Uani 1 1 d .
H9 H 0.0560 -0.2584 0.7306 0.059 Uiso 1 1 calc .
C10 C -0.0394(8) -0.3655(7) 0.6845(7) 0.041(3) Uani 1 1 d .
C11 C 0.3484(8) -0.0301(8) 0.5817(7) 0.052(4) Uani 1 1 d .
H11 H 0.3589 0.0026 0.6249 0.062 Uiso 1 1 calc .
C12 C 0.2881(9) -0.0384(9) 0.5292(8) 0.062(4) Uani 1 1 d .
H12 H 0.2574 -0.0117 0.5363 0.075 Uiso 1 1 calc .
C13 C 0.6166(10) -0.1723(10) 0.5682(11) 0.075(6) Uani 1 1 d .
H13 H 0.6509 -0.1922 0.5533 0.090 Uiso 1 1 calc .
C14 C 0.6122(9) -0.1148(10) 0.5431(9) 0.072(5) Uani 1 1 d .
H14 H 0.6424 -0.0943 0.5106 0.086 Uiso 1 1 calc .
C15 C 0.5606(9) -0.0859(8) 0.5667(8) 0.056(4) Uani 1 1 d .
H15 H 0.5576 -0.0443 0.5509 0.067 Uiso 1 1 calc .
C16 C 0.3943(7) -0.0690(8) 0.5725(7) 0.042(3) Uani 1 1 d .
C17 C 0.3783(8) -0.1146(8) 0.5071(7) 0.049(4) Uani 1 1 d .
H17 H 0.4087 -0.1414 0.4987 0.058 Uiso 1 1 calc .
C18 C 0.3189(9) -0.1208(9) 0.4554(7) 0.060(4) Uani 1 1 d .
H18 H 0.3102 -0.1504 0.4112 0.072 Uiso 1 1 calc .
C19 C 0.3252(10) -0.3925(8) 0.7581(8) 0.066(5) Uani 1 1 d .
H19 H 0.3093 -0.4459 0.7553 0.079 Uiso 1 1 calc .
C20 C 0.4532(10) 0.0619(8) 0.8933(8) 0.050(4) Uani 1 1 d .
C21 C 0.5916(9) -0.0887(8) 0.7950(8) 0.052(4) Uani 1 1 d .
C22 C 0.5158(9) -0.0636(8) 0.8916(11) 0.066(6) Uani 1 1 d .
C23 C 0.2897(8) -0.2909(7) 0.7618(7) 0.048(4) Uani 1 1 d .
H23 H 0.2497 -0.2738 0.7615 0.058 Uiso 1 1 calc .
C24 C 0.2679(8) -0.3665(8) 0.7589(8) 0.055(4) Uani 1 1 d .
H24 H 0.2126 -0.4020 0.7572 0.066 Uiso 1 1 calc .
C25 C 0.1904(8) -0.1109(8) 0.8339(9) 0.056(4) Uani 1 1 d .
H25 H 0.1471 -0.1055 0.8493 0.068 Uiso 1 1 calc .
C26 C 0.1999(9) -0.1038(9) 0.7691(9) 0.061(5) Uani 1 1 d .
H26 H 0.1635 -0.0935 0.7403 0.073 Uiso 1 1 calc .
C27 C 0.2617(8) -0.1118(8) 0.7462(8) 0.053(4) Uani 1 1 d .
H27 H 0.2684 -0.1068 0.7016 0.064 Uiso 1 1 calc .
C28 C 0.3157(8) -0.1273(7) 0.7891(7) 0.041(3) Uani 1 1 d .
C29 C 0.4289(8) -0.2642(8) 0.7652(8) 0.053(4) Uani 1 1 d .
H29 H 0.4845 -0.2289 0.7676 0.063 Uiso 1 1 calc .
C30 C 0.4053(9) -0.3409(8) 0.7616(8) 0.057(4) Uani 1 1 d .
H30 H 0.4448 -0.3587 0.7616 0.069 Uiso 1 1 calc .
C31 C 0.8562(9) 0.2883(9) 0.6658(8) 0.062(4) Uani 1 1 d .
H31 H 0.8841 0.3052 0.6311 0.074 Uiso 1 1 calc .
C32 C 0.8465(12) 0.2949(9) 1.0338(9) 0.082(6) Uani 1 1 d .
H32 H 0.8318 0.2984 1.0764 0.098 Uiso 1 1 calc .
C33 C 0.7868(10) 0.2638(9) 0.9725(10) 0.077(5) Uani 1 1 d .
H33 H 0.7310 0.2468 0.9736 0.092 Uiso 1 1 calc .
C34 C 0.8073(9) 0.2576(8) 0.9118(8) 0.053(4) Uani 1 1 d .
C35 C 0.8201(8) 0.2055(8) 0.7414(8) 0.053(4) Uani 1 1 d .
H35 H 0.8231 0.1647 0.7589 0.064 Uiso 1 1 calc .
C36 C 0.8605(9) 0.2306(9) 0.6930(9) 0.060(4) Uani 1 1 d .
H36 H 0.8924 0.2081 0.6775 0.072 Uiso 1 1 calc .
C37 C 0.9286(12) 0.3206(10) 1.0301(11) 0.084(6) Uani 1 1 d .
H37 H 0.9705 0.3418 1.0706 0.100 Uiso 1 1 calc .
C38 C 0.5726(11) -0.2034(10) 0.6152(10) 0.073(5) Uani 1 1 d .
H38 H 0.5774 -0.2433 0.6330 0.088 Uiso 1 1 calc .
C39 C 0.5217(9) -0.1753(9) 0.6357(9) 0.063(5) Uani 1 1 d .
H39 H 0.4903 -0.1970 0.6671 0.076 Uiso 1 1 calc .
C40 C 0.5157(7) -0.1170(8) 0.6118(7) 0.042(4) Uani 1 1 d .
C41 C 0.8875(10) 0.2848(10) 0.9106(8) 0.071(5) Uani 1 1 d .
H41 H 0.9026 0.2827 0.8680 0.086 Uiso 1 1 calc .
C42 C 0.9475(11) 0.3154(11) 0.9699(10) 0.080(6) Uani 1 1 d .
H42 H 1.0030 0.3329 0.9677 0.096 Uiso 1 1 calc .
C43 C 0.5956(13) 0.3550(11) 1.0626(10) 0.093(6) Uani 1 1 d .
H43 H 0.5986 0.3851 1.1048 0.112 Uiso 1 1 calc .
C44 C 0.4766(19) 0.2859(15) 0.7085(11) 0.110(8) Uani 1 1 d .
H44 H 0.4918 0.3123 0.6734 0.132 Uiso 1 1 calc .
C45 C 0.5324(13) 0.2699(11) 0.7497(10) 0.085(6) Uani 1 1 d .
H45 H 0.5849 0.2830 0.7409 0.103 Uiso 1 1 calc .
C46 C 0.5099(9) 0.2360(9) 0.8016(9) 0.059(5) Uani 1 1 d .
C47 C 0.5920(11) 0.3394(9) 0.9460(8) 0.069(5) Uani 1 1 d .
H47 H 0.5933 0.3591 0.9062 0.083 Uiso 1 1 calc .
C48 C 0.6003(13) 0.3847(10) 1.0060(11) 0.087(6) Uani 1 1 d .
H48 H 0.6094 0.4364 1.0089 0.104 Uiso 1 1 calc .
C49 C 0.4032(17) 0.2624(14) 0.7210(11) 0.103(7) Uani 1 1 d .
H49 H 0.3654 0.2700 0.6909 0.123 Uiso 1 1 calc .
C50 C 0.3752(11) 0.2290(11) 0.7714(13) 0.094(7) Uani 1 1 d .
H50 H 0.3222 0.2166 0.7788 0.113 Uiso 1 1 calc .
C51 C 0.4302(11) 0.2141(9) 0.8121(10) 0.081(6) Uani 1 1 d .
H51 H 0.4138 0.1886 0.8474 0.098 Uiso 1 1 calc .
C52 C 0.7737(8) 0.2387(8) 0.7664(7) 0.050(4) Uani 1 1 d .
C53 C 0.7708(9) 0.2974(8) 0.7380(9) 0.056(4) Uani 1 1 d .
H53 H 0.7398 0.3212 0.7531 0.068 Uiso 1 1 calc .
C54 C 0.8116(11) 0.3210(9) 0.6890(9) 0.068(5) Uani 1 1 d .
H54 H 0.8090 0.3613 0.6706 0.082 Uiso 1 1 calc .
C55 C 0.5866(12) 0.2825(10) 1.0586(9) 0.084(6) Uani 1 1 d .
H55 H 0.5845 0.2623 1.0980 0.101 Uiso 1 1 calc .
C56 C 0.7355(10) 0.0665(8) 0.8544(8) 0.060(4) Uani 1 1 d .
C57 C 0.5817(9) 0.2664(8) 0.9412(8) 0.049(4) Uani 1 1 d .
C58 C 0.5461(8) 0.1019(8) 0.6711(8) 0.049(4) Uani 1 1 d .
C59 C 0.4469(8) 0.0492(7) 0.7588(7) 0.041(3) Uani 1 1 d .
C60 C 0.6426(8) 0.0412(7) 0.7273(8) 0.047(4) Uani 1 1 d .
C61 C 0.5805(10) 0.2382(8) 0.9969(9) 0.066(5) Uani 1 1 d .
H61 H 0.5756 0.1879 0.9940 0.079 Uiso 1 1 calc .
C62 C 0.6202(8) 0.0904(7) 0.9090(9) 0.050(4) Uani 1 1 d .
C63 C -0.0253(9) -0.4685(9) 0.7251(8) 0.060(4) Uani 1 1 d .
H63 H -0.0454 -0.5222 0.7237 0.072 Uiso 1 1 calc .
C64 C -0.0690(8) -0.4434(9) 0.6835(8) 0.054(4) Uani 1 1 d .
H64 H -0.1200 -0.4805 0.6538 0.065 Uiso 1 1 calc .
C65 C -0.0609(9) -0.1858(9) 0.7487(8) 0.055(4) Uani 1 1 d .
C66 C -0.2177(8) -0.2531(9) 0.6631(8) 0.051(4) Uani 1 1 d .
C67 C -0.3881(10) -0.3659(9) 0.6284(8) 0.061(4) Uani 1 1 d .
C68 C -0.3478(9) -0.4336(9) 0.7191(7) 0.056(4) Uani 1 1 d .
C69 C -0.2382(8) -0.4835(9) 0.7449(7) 0.051(4) Uani 1 1 d .
C70 C -0.1180(8) -0.3210(8) 0.7955(8) 0.048(4) Uani 1 1 d .
C71 C -0.0719(9) -0.1635(9) 0.9291(8) 0.058(4) Uani 1 1 d .
C72 C -0.0426(11) -0.0894(10) 0.9200(10) 0.084(6) Uani 1 1 d .
H72 H -0.0778 -0.0725 0.8984 0.101 Uiso 1 1 calc .
C73 C 0.0443(13) -0.0383(10) 0.9450(10) 0.089(6) Uani 1 1 d .
H73 H 0.0655 0.0135 0.9398 0.107 Uiso 1 1 calc .
C74 C 0.0615(11) -0.1607(11) 0.5304(11) 0.089(6) Uani 1 1 d .
H74 H 0.0949 -0.1265 0.5061 0.107 Uiso 1 1 calc .
C75 C 0.0648(12) -0.1322(14) 0.9827(10) 0.092(7) Uani 1 1 d .
H75 H 0.1010 -0.1476 1.0053 0.110 Uiso 1 1 calc .
C76 C -0.0182(10) -0.1860(9) 0.9594(9) 0.069(5) Uani 1 1 d .
H76 H -0.0376 -0.2378 0.9643 0.083 Uiso 1 1 calc .
C77 C 0.3171(8) -0.2720(7) 0.5916(8) 0.055(4) Uani 1 1 d .
H77A H 0.3313 -0.2985 0.6246 0.066 Uiso 1 1 calc .
H77B H 0.3621 -0.2514 0.5678 0.066 Uiso 1 1 calc .
C78 C -0.4220(8) -0.5621(9) 0.5622(8) 0.053(4) Uani 1 1 d .
H78 H -0.4473 -0.5301 0.5585 0.063 Uiso 1 1 calc .
C79 C -0.4697(9) -0.6416(9) 0.5542(9) 0.066(5) Uani 1 1 d .
H79 H -0.5277 -0.6637 0.5448 0.079 Uiso 1 1 calc .
C80 C -0.1608(8) -0.4386(8) 0.5232(8) 0.051(4) Uani 1 1 d .
H80A H -0.2075 -0.4914 0.5038 0.061 Uiso 1 1 calc .
H80B H -0.1123 -0.4446 0.5398 0.061 Uiso 1 1 calc .
C81 C -0.1443(8) -0.3956(8) 0.4660(8) 0.056(4) Uani 1 1 d .
H81A H -0.0858 -0.3561 0.4766 0.067 Uiso 1 1 calc .
H81B H -0.1774 -0.3683 0.4631 0.067 Uiso 1 1 calc .
C82 C -0.3020(8) -0.5775(8) 0.5806(7) 0.054(4) Uani 1 1 d .
H82 H -0.2442 -0.5565 0.5886 0.065 Uiso 1 1 calc .
C83 C -0.3179(8) -0.4181(8) 0.4988(8) 0.050(4) Uani 1 1 d .
C84 C -0.3563(9) -0.4806(9) 0.4419(8) 0.063(5) Uani 1 1 d .
H84 H -0.3652 -0.5306 0.4468 0.076 Uiso 1 1 calc .
C85 C -0.0043(13) -0.1560(11) 0.5444(12) 0.102(7) Uani 1 1 d .
H85 H -0.0173 -0.1182 0.5307 0.122 Uiso 1 1 calc .
C86 C -0.0528(10) -0.2067(10) 0.5789(10) 0.073(5) Uani 1 1 d .
H86 H -0.1000 -0.2039 0.5878 0.088 Uiso 1 1 calc .
C87 C 0.3069(8) -0.2065(8) 0.6285(7) 0.047(4) Uani 1 1 d .
H87A H 0.2648 -0.2271 0.6552 0.057 Uiso 1 1 calc .
H87B H 0.2870 -0.1840 0.5948 0.057 Uiso 1 1 calc .
C88 C 0.3711(8) -0.2379(8) 0.7653(7) 0.045(4) Uani 1 1 d .
C89 C -0.3472(12) -0.2989(9) 0.7966(9) 0.071(5) Uani 1 1 d .
C90 C -0.2191(10) -0.1676(10) 0.7810(8) 0.060(4) Uani 1 1 d .
C91 C -0.3466(9) -0.4404(8) 0.8856(8) 0.054(4) Uani 1 1 d .
C92 C 0.0953(12) -0.0588(15) 0.9740(11) 0.095(7) Uani 1 1 d .
H92 H 0.1522 -0.0233 0.9886 0.113 Uiso 1 1 calc .
C93 C -0.4824(11) -0.5473(10) 0.8609(10) 0.074(5) Uani 1 1 d .
H93 H -0.5214 -0.5985 0.8362 0.089 Uiso 1 1 calc .
C94 C -0.5042(11) -0.5060(13) 0.9046(12) 0.101(7) Uani 1 1 d .
H94 H -0.5585 -0.5283 0.9112 0.121 Uiso 1 1 calc .
C95 C -0.4472(13) -0.4305(12) 0.9401(13) 0.109(8) Uani 1 1 d .
H95 H -0.4621 -0.4013 0.9715 0.131 Uiso 1 1 calc .
C96 C -0.3703(11) -0.3990(9) 0.9293(10) 0.083(6) Uani 1 1 d .
H96 H -0.3320 -0.3470 0.9525 0.100 Uiso 1 1 calc .
C97 C -0.2011(10) -0.4536(8) 0.9079(8) 0.055(4) Uani 1 1 d .
C98 C -0.2266(12) -0.4832(11) 0.9609(11) 0.084(6) Uani 1 1 d .
H98 H -0.2674 -0.4747 0.9779 0.101 Uiso 1 1 calc .
C99 C -0.1949(16) -0.5263(13) 0.9921(12) 0.111(8) Uani 1 1 d .
H99 H -0.2145 -0.5475 1.0287 0.134 Uiso 1 1 calc .
C100 C -0.1342(13) -0.5364(10) 0.9674(12) 0.085(6) Uani 1 1 d .
H100 H -0.1111 -0.5645 0.9876 0.103 Uiso 1 1 calc .
C101 C -0.3365(8) -0.5292(7) 0.5756(6) 0.041(3) Uani 1 1 d .
C102 C 0.0325(9) -0.2641(8) 0.5849(8) 0.054(4) Uani 1 1 d .
H102 H 0.0466 -0.3016 0.5977 0.065 Uiso 1 1 calc .
C103 C -0.0346(8) -0.2621(8) 0.6013(8) 0.051(4) Uani 1 1 d .
C104 C -0.4346(9) -0.6878(9) 0.5597(8) 0.062(4) Uani 1 1 d .
H104 H -0.4679 -0.7422 0.5536 0.075 Uiso 1 1 calc .
C105 C -0.3508(10) -0.6562(8) 0.5741(7) 0.058(4) Uani 1 1 d .
H105 H -0.3262 -0.6885 0.5797 0.069 Uiso 1 1 calc .
C106 C -0.0736(8) -0.4636(8) 0.3842(7) 0.052(4) Uani 1 1 d .
H10A H -0.0821 -0.5010 0.3421 0.062 Uiso 1 1 calc .
H10B H -0.0326 -0.4116 0.3811 0.062 Uiso 1 1 calc .
C107 C 0.0807(9) -0.2135(11) 0.5503(9) 0.070(5) Uani 1 1 d .
H107 H 0.1278 -0.2160 0.5405 0.084 Uiso 1 1 calc .
C108 C -0.3060(9) -0.3460(10) 0.4895(8) 0.063(5) Uani 1 1 d .
H108 H -0.2825 -0.3027 0.5275 0.076 Uiso 1 1 calc .
C109 C -0.3286(11) -0.3364(11) 0.4239(10) 0.074(5) Uani 1 1 d .
H109 H -0.3175 -0.2863 0.4178 0.089 Uiso 1 1 calc .
C110 C -0.3666(11) -0.3995(12) 0.3687(9) 0.075(5) Uani 1 1 d .
H110 H -0.3820 -0.3934 0.3246 0.090 Uiso 1 1 calc .
C111 C -0.3816(10) -0.4713(11) 0.3788(8) 0.073(5) Uani 1 1 d .
H111 H -0.4101 -0.5155 0.3415 0.088 Uiso 1 1 calc .
C112 C -0.4037(10) -0.5153(9) 0.8520(8) 0.061(4) Uani 1 1 d .
H112 H -0.3883 -0.5455 0.8222 0.073 Uiso 1 1 calc .
C113 C -0.2783(14) -0.1205(11) 1.0544(13) 0.094(7) Uani 1 1 d .
H113 H -0.2983 -0.0985 1.0871 0.113 Uiso 1 1 calc .
C114 C -0.1942(10) -0.1775(9) 1.0296(10) 0.072(5) Uani 1 1 d .
H114 H -0.1558 -0.1941 1.0448 0.086 Uiso 1 1 calc .
C115 C -0.2757(10) -0.1591(9) 0.9406(9) 0.070(5) Uani 1 1 d .
H115 H -0.2934 -0.1634 0.8936 0.084 Uiso 1 1 calc .
C116 C -0.3044(12) -0.1268(11) 0.9877(12) 0.090(6) Uani 1 1 d .
H116 H -0.3422 -0.1091 0.9735 0.108 Uiso 1 1 calc .
C117 C -0.2241(13) -0.1449(11) 1.0755(10) 0.090(6) Uani 1 1 d .
H117 H -0.2063 -0.1394 1.1228 0.108 Uiso 1 1 calc .
C118 C -0.1412(10) -0.4660(10) 0.8861(9) 0.070(5) Uani 1 1 d .
H118 H -0.1219 -0.4453 0.8492 0.085 Uiso 1 1 calc .
C119 C -0.2210(9) -0.1857(8) 0.9609(9) 0.055(4) Uani 1 1 d .
C120 C -0.1075(11) -0.5065(11) 0.9144(12) 0.084(6) Uani 1 1 d .
H120 H -0.0660 -0.5137 0.8974 0.101 Uiso 1 1 calc .
C121 C -0.030(3) 0.097(2) 0.845(2) 0.101(13) Uani 0.50 1 d P
H12C H -0.0884 0.0716 0.8215 0.121 Uiso 0.50 1 calc P
H12D H -0.0281 0.0897 0.8923 0.121 Uiso 0.50 1 calc P
C122 C 0.838(2) -0.022(3) 0.629(3) 0.13(2) Uani 0.50 1 d P
H12A H 0.7809 -0.0322 0.6290 0.153 Uiso 0.50 1 calc P
H12B H 0.8485 -0.0549 0.6572 0.153 Uiso 0.50 1 calc P
C123 C 0.0497(10) -0.4120(11) 0.7697(8) 0.067(5) Uani 1 1 d .
H123 H 0.0794 -0.4276 0.8000 0.080 Uiso 1 1 calc .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C22 Co1 C21 99.3(7) . . ?
C22 Co1 P1 93.9(5) . . ?
C21 Co1 P1 105.3(4) . . ?
C22 Co1 Co3 92.8(5) . . y
C21 Co1 Co3 142.3(4) . . y
P1 Co1 Co3 109.28(12) . . y
C22 Co1 Co4 109.9(5) . . y
C21 Co1 Co4 85.3(4) . . y
P1 Co1 Co4 152.20(14) . . y
Co3 Co1 Co4 57.07(7) . . y
C22 Co1 Co2 151.2(5) . . y
C21 Co1 Co2 105.4(5) . . y
P1 Co1 Co2 93.47(12) . . y
Co3 Co1 Co2 58.60(7) . . y
Co4 Co1 Co2 58.76(7) . . y
C58 Co2 C59 93.2(6) . . ?
C58 Co2 C60 95.7(6) . . ?
C59 Co2 C60 159.9(6) . . ?
C58 Co2 P2 96.7(4) . . ?
C59 Co2 P2 98.0(4) . . ?
C60 Co2 P2 98.9(4) . . ?
C58 Co2 Co3 115.9(4) . . y
C59 Co2 Co3 50.7(4) . . y
C60 Co2 Co3 109.3(5) . . y
P2 Co2 Co3 133.38(14) . . y
C58 Co2 Co4 115.9(4) . . y
C59 Co2 Co4 108.6(4) . . y
C60 Co2 Co4 51.3(5) . . y
P2 Co2 Co4 135.71(12) . . y
Co3 Co2 Co4 57.94(7) . . y
C58 Co2 Co1 175.2(4) . . y
C59 Co2 Co1 85.9(4) . . y
C60 Co2 Co1 83.8(4) . . y
P2 Co2 Co1 88.14(12) . . y
Co3 Co2 Co1 59.94(7) . . y
Co4 Co2 Co1 60.10(7) . . y
C20 Co3 C62 100.7(7) . . ?
C20 Co3 C59 92.2(6) . . ?
C62 Co3 C59 159.1(6) . . ?
C20 Co3 P3 98.7(4) . . ?
C62 Co3 P3 97.0(4) . . ?
C59 Co3 P3 97.3(4) . . ?
C20 Co3 Co4 148.4(4) . . y
C62 Co3 Co4 50.5(5) . . y
C59 Co3 Co4 112.2(4) . . y
P3 Co3 Co4 97.80(13) . . y
C20 Co3 Co2 137.4(4) . . y
C62 Co3 Co2 110.1(5) . . y
C59 Co3 Co2 51.0(4) . . y
P3 Co3 Co2 105.72(13) . . y
Co4 Co3 Co2 61.28(7) . . y
C20 Co3 Co1 101.7(4) . . y
C62 Co3 Co1 74.3(4) . . y
C59 Co3 Co1 87.1(4) . . y
P3 Co3 Co1 158.93(14) . . y
Co4 Co3 Co1 61.72(7) . . y
Co2 Co3 Co1 61.46(7) . . y
C56 Co4 C62 96.9(7) . . ?
C56 Co4 C60 94.6(6) . . ?
C62 Co4 C60 157.8(6) . . ?
C56 Co4 P4 96.9(5) . . ?
C62 Co4 P4 95.9(4) . . ?
C60 Co4 P4 101.5(4) . . ?
C56 Co4 Co3 147.5(6) . . y
C62 Co4 Co3 52.3(4) . . y
C60 Co4 Co3 111.4(4) . . y
P4 Co4 Co3 96.57(13) . . y
C56 Co4 Co2 141.4(5) . . y
C62 Co4 Co2 111.3(4) . . y
C60 Co4 Co2 50.6(4) . . y
P4 Co4 Co2 105.44(13) . . y
Co3 Co4 Co2 60.78(7) . . y
C56 Co4 Co1 104.6(5) . . y
C62 Co4 Co1 74.7(4) . . y
C60 Co4 Co1 84.1(4) . . y
P4 Co4 Co1 157.32(13) . . y
Co3 Co4 Co1 61.22(7) . . y
Co2 Co4 Co1 61.13(7) . . y
C65 Co5 C70 96.3(6) . . ?
C65 Co5 C66 97.5(7) . . ?
C70 Co5 C66 156.8(6) . . ?
C65 Co5 P5 96.7(5) . . ?
C70 Co5 P5 97.6(4) . . ?
C66 Co5 P5 99.2(4) . . ?
C65 Co5 Co6 146.7(5) . . y
C70 Co5 Co6 110.9(4) . . y
C66 Co5 Co6 50.8(5) . . y
P5 Co5 Co6 98.43(12) . . y
C65 Co5 Co7 142.0(5) . . y
C70 Co5 Co7 50.6(4) . . y
C66 Co5 Co7 109.2(5) . . y
P5 Co5 Co7 104.92(13) . . y
Co6 Co5 Co7 60.28(8) . . y
C65 Co5 Co8 102.5(4) . . y
C70 Co5 Co8 84.4(4) . . y
C66 Co5 Co8 74.5(5) . . y
P5 Co5 Co8 160.39(13) . . y
Co6 Co5 Co8 62.99(8) . . y
Co7 Co5 Co8 61.45(8) . . y
C67 Co6 C66 101.8(7) . . ?
C67 Co6 C68 90.4(6) . . ?
C66 Co6 C68 155.0(6) . . ?
C67 Co6 P6 94.8(5) . . ?
C66 Co6 P6 99.6(4) . . ?
C68 Co6 P6 101.0(4) . . ?
C67 Co6 Co5 153.3(5) . . y
C66 Co6 Co5 52.3(4) . . y
C68 Co6 Co5 111.4(4) . . y
P6 Co6 Co5 95.96(12) . . y
C67 Co6 Co7 139.1(5) . . y
C66 Co6 Co7 111.9(4) . . y
C68 Co6 Co7 49.9(4) . . y
P6 Co6 Co7 101.60(12) . . y
Co5 Co6 Co7 61.60(8) . . y
C67 Co6 Co8 110.2(5) . . y
C66 Co6 Co8 73.6(4) . . y
C68 Co6 Co8 81.8(4) . . y
P6 Co6 Co8 154.90(12) . . y
Co5 Co6 Co8 60.45(7) . . y
Co7 Co6 Co8 61.02(7) . . y
C69 Co7 C68 92.3(6) . . ?
C69 Co7 C70 101.5(6) . . ?
C68 Co7 C70 159.3(7) . . ?
C69 Co7 P7 93.4(5) . . ?
C68 Co7 P7 103.2(5) . . ?
C70 Co7 P7 91.4(5) . . ?
C69 Co7 Co6 114.7(5) . . y
C68 Co7 Co6 51.3(5) . . y
C70 Co7 Co6 108.3(5) . . y
P7 Co7 Co6 140.42(13) . . y
C69 Co7 Co5 121.8(5) . . y
C68 Co7 Co5 109.3(5) . . y
C70 Co7 Co5 50.2(5) . . y
P7 Co7 Co5 129.70(13) . . y
Co6 Co7 Co5 58.12(7) . . y
C69 Co7 Co8 175.2(4) . . y
C68 Co7 Co8 82.9(4) . . y
C70 Co7 Co8 82.9(4) . . y
P7 Co7 Co8 88.44(12) . . y
Co6 Co7 Co8 61.58(7) . . y
Co5 Co7 Co8 59.58(7) . . y
C89 Co8 C90 99.4(7) . . ?
C89 Co8 P8 100.2(6) . . ?
C90 Co8 P8 96.1(5) . . ?
C89 Co8 Co5 147.0(5) . . y
C90 Co8 Co5 95.1(5) . . y
P8 Co8 Co5 107.47(13) . . y
C89 Co8 Co7 102.1(5) . . y
C90 Co8 Co7 154.0(5) . . y
P8 Co8 Co7 94.33(12) . . y
Co5 Co8 Co7 58.97(7) . . y
C89 Co8 Co6 90.7(5) . . y
C90 Co8 Co6 108.2(5) . . y
P8 Co8 Co6 151.43(13) . . y
Co5 Co8 Co6 56.56(7) . . y
Co7 Co8 Co6 57.40(7) . . y
C4 S1 C77 101.1(7) . . ?
C81 S2 C106 102.0(6) . . ?
N1 P1 C28 107.3(6) . . ?
N1 P1 C88 101.8(6) . . ?
C28 P1 C88 98.9(6) . . ?
N1 P1 Co1 110.8(4) . . ?
C28 P1 Co1 118.0(4) . . ?
C88 P1 Co1 118.2(4) . . ?
N1 P2 C40 104.1(6) . . ?
N1 P2 C16 99.9(5) . . ?
C40 P2 C16 103.9(6) . . ?
N1 P2 Co2 114.0(4) . . ?
C40 P2 Co2 114.4(4) . . ?
C16 P2 Co2 118.6(5) . . ?
N2 P3 C46 104.7(7) . . ?
N2 P3 C57 101.8(6) . . ?
C46 P3 C57 99.4(7) . . ?
N2 P3 Co3 111.9(4) . . ?
C46 P3 Co3 116.5(5) . . ?
C57 P3 Co3 120.4(5) . . ?
N2 P4 C52 104.8(6) . . ?
N2 P4 C34 102.0(6) . . ?
C52 P4 C34 103.8(7) . . ?
N2 P4 Co4 112.7(4) . . ?
C52 P4 Co4 117.5(5) . . ?
C34 P4 Co4 114.5(5) . . ?
N3 P5 C10 108.2(5) . . ?
N3 P5 C103 104.8(6) . . ?
C10 P5 C103 101.7(6) . . ?
N3 P5 Co5 112.8(4) . . ?
C10 P5 Co5 110.5(5) . . ?
C103 P5 Co5 117.9(4) . . ?
N3 P6 C101 107.7(6) . . ?
N3 P6 C83 102.1(6) . . ?
C101 P6 C83 100.4(6) . . ?
N3 P6 Co6 113.8(4) . . ?
C101 P6 Co6 114.1(5) . . ?
C83 P6 Co6 117.2(5) . . ?
N4 P7 C91 104.0(6) . . ?
N4 P7 C97 100.0(6) . . ?
C91 P7 C97 102.0(7) . . ?
N4 P7 Co7 114.4(4) . . ?
C91 P7 Co7 117.0(5) . . ?
C97 P7 Co7 117.1(6) . . ?
N4 P8 C71 103.1(7) . . ?
N4 P8 C119 102.4(7) . . ?
C71 P8 C119 99.2(7) . . ?
N4 P8 Co8 110.1(4) . . ?
C71 P8 Co8 121.6(5) . . ?
C119 P8 Co8 117.9(6) . . ?
C87 N1 P1 120.7(9) . . ?
C87 N1 P2 122.4(9) . . ?
P1 N1 P2 116.7(6) . . ?
P4 N2 P3 120.4(7) . . ?
C80 N3 P5 120.9(8) . . ?
C80 N3 P6 119.8(8) . . ?
P5 N3 P6 118.9(6) . . ?
P7 N4 P8 116.8(7) . . ?
C3 C1 C2 123.3(13) . . ?
C3 C1 H1 118.3 . . ?
C2 C1 H1 118.3 . . ?
C1 C2 C3 119.9(11) . 2_546 ?
C1 C2 C4 119.0(13) . . ?
C3 C2 C4 121.2(13) 2_546 . ?
C1 C3 C2 116.8(12) . 2_546 ?
C1 C3 C106 119.2(14) . . ?
C2 C3 C106 124.0(12) 2_546 . ?
C2 C4 S1 107.5(10) . . ?
C2 C4 H4A 110.2 . . ?
S1 C4 H4A 110.2 . . ?
C2 C4 H4B 110.2 . . ?
S1 C4 H4B 110.2 . . ?
H4A C4 H4B 108.5 . . ?
C28 C5 C6 120.4(13) . . ?
C28 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C5 C6 C25 119.1(15) . . ?
C5 C6 H6 120.5 . . ?
C25 C6 H6 120.5 . . ?
C18 C7 C12 120.1(13) . . ?
C18 C7 H7 119.9 . . ?
C12 C7 H7 119.9 . . ?
C9 C8 C123 119.9(14) . . ?
C9 C8 H8 120.1 . . ?
C123 C8 H8 120.1 . . ?
C8 C9 C10 121.7(14) . . ?
C8 C9 H9 119.2 . . ?
C10 C9 H9 119.2 . . ?
C64 C10 C9 118.3(12) . . ?
C64 C10 P5 122.4(9) . . ?
C9 C10 P5 117.8(10) . . ?
C12 C11 C16 121.0(13) . . ?
C12 C11 H11 119.5 . . ?
C16 C11 H11 119.5 . . ?
C7 C12 C11 119.8(14) . . ?
C7 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C14 C13 C38 122.0(15) . . ?
C14 C13 H13 119.0 . . ?
C38 C13 H13 119.0 . . ?
C13 C14 C15 117.7(17) . . ?
C13 C14 H14 121.1 . . ?
C15 C14 H14 121.1 . . ?
C40 C15 C14 120.9(14) . . ?
C40 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C11 C16 C17 117.3(12) . . ?
C11 C16 P2 118.8(10) . . ?
C17 C16 P2 123.0(11) . . ?
C18 C17 C16 120.4(13) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C7 C18 C17 121.2(14) . . ?
C7 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C30 C19 C24 119.6(13) . . ?
C30 C19 H19 120.2 . . ?
C24 C19 H19 120.2 . . ?
O9 C20 Co3 174.3(14) . . ?
O15 C21 Co1 174.9(14) . . ?
O16 C22 Co1 176.3(14) . . ?
C24 C23 C88 120.2(13) . . ?
C24 C23 H23 119.9 . . ?
C88 C23 H23 119.9 . . ?
C23 C24 C19 120.6(13) . . ?
C23 C24 H24 119.7 . . ?
C19 C24 H24 119.7 . . ?
C26 C25 C6 121.0(13) . . ?
C26 C25 H25 119.5 . . ?
C6 C25 H25 119.5 . . ?
C27 C26 C25 120.0(14) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C27 C28 119.9(15) . . ?
C26 C27 H27 120.1 . . ?
C28 C27 H27 120.1 . . ?
C5 C28 C27 119.5(13) . . ?
C5 C28 P1 119.3(10) . . ?
C27 C28 P1 121.1(12) . . ?
C30 C29 C88 119.8(13) . . ?
C30 C29 H29 120.1 . . ?
C88 C29 H29 120.1 . . ?
C29 C30 C19 120.7(14) . . ?
C29 C30 H30 119.6 . . ?
C19 C30 H30 119.6 . . ?
C54 C31 C36 119.1(15) . . ?
C54 C31 H31 120.5 . . ?
C36 C31 H31 120.5 . . ?
C37 C32 C33 117.8(18) . . ?
C37 C32 H32 121.1 . . ?
C33 C32 H32 121.1 . . ?
C34 C33 C32 121.2(17) . . ?
C34 C33 H33 119.4 . . ?
C32 C33 H33 119.4 . . ?
C33 C34 C41 119.0(14) . . ?
C33 C34 P4 117.6(12) . . ?
C41 C34 P4 123.3(13) . . ?
C36 C35 C52 121.0(15) . . ?
C36 C35 H35 119.5 . . ?
C52 C35 H35 119.5 . . ?
C35 C36 C31 120.9(15) . . ?
C35 C36 H36 119.6 . . ?
C31 C36 H36 119.6 . . ?
C42 C37 C32 119.9(16) . . ?
C42 C37 H37 120.0 . . ?
C32 C37 H37 120.0 . . ?
C39 C38 C13 118.7(16) . . ?
C39 C38 H38 120.6 . . ?
C13 C38 H38 120.6 . . ?
C40 C39 C38 121.2(17) . . ?
C40 C39 H39 119.4 . . ?
C38 C39 H39 119.4 . . ?
C39 C40 C15 119.5(13) . . ?
C39 C40 P2 120.7(12) . . ?
C15 C40 P2 119.3(11) . . ?
C34 C41 C42 121.2(17) . . ?
C34 C41 H41 119.4 . . ?
C42 C41 H41 119.4 . . ?
C37 C42 C41 120.9(18) . . ?
C37 C42 H42 119.6 . . ?
C41 C42 H42 119.6 . . ?
C55 C43 C48 120.0(17) . . ?
C55 C43 H43 120.0 . . ?
C48 C43 H43 120.0 . . ?
C49 C44 C45 117(2) . . ?
C49 C44 H44 121.4 . . ?
C45 C44 H44 121.4 . . ?
C46 C45 C44 119(2) . . ?
C46 C45 H45 120.3 . . ?
C44 C45 H45 120.3 . . ?
C45 C46 C51 119.3(16) . . ?
C45 C46 P3 125.6(14) . . ?
C51 C46 P3 114.9(14) . . ?
C48 C47 C57 121.4(16) . . ?
C48 C47 H47 119.3 . . ?
C57 C47 H47 119.3 . . ?
C47 C48 C43 119.0(16) . . ?
C47 C48 H48 120.5 . . ?
C43 C48 H48 120.5 . . ?
C44 C49 C50 128(2) . . ?
C44 C49 H49 116.1 . . ?
C50 C49 H49 116.1 . . ?
C49 C50 C51 115(2) . . ?
C49 C50 H50 122.6 . . ?
C51 C50 H50 122.6 . . ?
C50 C51 C46 121.4(19) . . ?
C50 C51 H51 119.3 . . ?
C46 C51 H51 119.3 . . ?
C53 C52 C35 116.8(14) . . ?
C53 C52 P4 123.3(12) . . ?
C35 C52 P4 119.9(12) . . ?
C54 C53 C52 120.8(14) . . ?
C54 C53 H53 119.6 . . ?
C52 C53 H53 119.6 . . ?
C31 C54 C53 121.5(16) . . ?
C31 C54 H54 119.2 . . ?
C53 C54 H54 119.2 . . ?
C43 C55 C61 119.9(17) . . ?
C43 C55 H55 120.1 . . ?
C61 C55 H55 120.1 . . ?
O12 C56 Co4 178.0(16) . . ?
C61 C57 C47 120.0(14) . . ?
C61 C57 P3 120.1(11) . . ?
C47 C57 P3 119.9(12) . . ?
O14 C58 Co2 178.0(13) . . ?
O13 C59 Co3 138.2(11) . . ?
O13 C59 Co2 143.2(11) . . ?
Co3 C59 Co2 78.4(5) . . ?
O11 C60 Co2 143.0(12) . . ?
O11 C60 Co4 139.0(11) . . ?
Co2 C60 Co4 78.0(6) . . ?
C57 C61 C55 119.8(14) . . ?
C57 C61 H61 120.1 . . ?
C55 C61 H61 120.1 . . ?
O10 C62 Co4 142.2(11) . . ?
O10 C62 Co3 140.5(13) . . ?
Co4 C62 Co3 77.2(7) . . ?
C64 C63 C123 118.2(14) . . ?
C64 C63 H63 120.9 . . ?
C123 C63 H63 120.9 . . ?
C10 C64 C63 121.2(13) . . ?
C10 C64 H64 119.4 . . ?
C63 C64 H64 119.4 . . ?
O8 C65 Co5 177.5(16) . . ?
O3 C66 Co6 140.9(11) . . ?
O3 C66 Co5 142.1(12) . . ?
Co6 C66 Co5 76.9(6) . . ?
O2 C67 Co6 176.4(15) . . ?
O5 C68 Co7 143.1(14) . . ?
O5 C68 Co6 138.1(12) . . ?
Co7 C68 Co6 78.7(7) . . ?
O7 C69 Co7 173.7(14) . . ?
O6 C70 Co5 139.3(12) . . ?
O6 C70 Co7 141.5(13) . . ?
Co5 C70 Co7 79.2(5) . . ?
C72 C71 C76 119.6(15) . . ?
C72 C71 P8 118.8(13) . . ?
C76 C71 P8 121.6(13) . . ?
C71 C72 C73 116.7(17) . . ?
C71 C72 H72 121.6 . . ?
C73 C72 H72 121.6 . . ?
C92 C73 C72 124(2) . . ?
C92 C73 H73 117.9 . . ?
C72 C73 H73 117.9 . . ?
C85 C74 C107 120.6(18) . . ?
C85 C74 H74 119.7 . . ?
C107 C74 H74 119.7 . . ?
C92 C75 C76 121.8(19) . . ?
C92 C75 H75 119.1 . . ?
C76 C75 H75 119.1 . . ?
C71 C76 C75 119.7(17) . . ?
C71 C76 H76 120.2 . . ?
C75 C76 H76 120.2 . . ?
C87 C77 S1 109.3(9) . . ?
C87 C77 H77A 109.8 . . ?
S1 C77 H77A 109.8 . . ?
C87 C77 H77B 109.8 . . ?
S1 C77 H77B 109.8 . . ?
H77A C77 H77B 108.3 . . ?
C79 C78 C101 119.9(13) . . ?
C79 C78 H78 120.1 . . ?
C101 C78 H78 120.1 . . ?
C104 C79 C78 120.8(14) . . ?
C104 C79 H79 119.6 . . ?
C78 C79 H79 119.6 . . ?
N3 C80 C81 116.0(11) . . ?
N3 C80 H80A 108.3 . . ?
C81 C80 H80A 108.3 . . ?
N3 C80 H80B 108.3 . . ?
C81 C80 H80B 108.3 . . ?
H80A C80 H80B 107.4 . . ?
C80 C81 S2 111.3(10) . . ?
C80 C81 H81A 109.4 . . ?
S2 C81 H81A 109.4 . . ?
C80 C81 H81B 109.4 . . ?
S2 C81 H81B 109.4 . . ?
H81A C81 H81B 108.0 . . ?
C101 C82 C105 120.6(13) . . ?
C101 C82 H82 119.7 . . ?
C105 C82 H82 119.7 . . ?
C108 C83 C84 117.5(14) . . ?
C108 C83 P6 118.1(11) . . ?
C84 C83 P6 124.3(12) . . ?
C111 C84 C83 121.3(15) . . ?
C111 C84 H84 119.3 . . ?
C83 C84 H84 119.3 . . ?
C74 C85 C86 119.2(18) . . ?
C74 C85 H85 120.4 . . ?
C86 C85 H85 120.4 . . ?
C85 C86 C103 122.1(16) . . ?
C85 C86 H86 118.9 . . ?
C103 C86 H86 118.9 . . ?
C77 C87 N1 112.5(10) . . ?
C77 C87 H87A 109.1 . . ?
N1 C87 H87A 109.1 . . ?
C77 C87 H87B 109.1 . . ?
N1 C87 H87B 109.1 . . ?
H87A C87 H87B 107.8 . . ?
C23 C88 C29 119.1(13) . . ?
C23 C88 P1 121.4(10) . . ?
C29 C88 P1 119.3(11) . . ?
O1 C89 Co8 177.6(17) . . ?
O4 C90 Co8 178.0(15) . . ?
C96 C91 C112 118.0(15) . . ?
C96 C91 P7 122.1(12) . . ?
C112 C91 P7 119.8(12) . . ?
C73 C92 C75 118(2) . . ?
C73 C92 H92 121.0 . . ?
C75 C92 H92 121.0 . . ?
C94 C93 C112 119.9(17) . . ?
C94 C93 H93 120.1 . . ?
C112 C93 H93 120.1 . . ?
C93 C94 C95 120.0(16) . . ?
C93 C94 H94 120.0 . . ?
C95 C94 H94 120.0 . . ?
C96 C95 C94 119.3(17) . . ?
C96 C95 H95 120.4 . . ?
C94 C95 H95 120.4 . . ?
C95 C96 C91 121.6(17) . . ?
C95 C96 H96 119.2 . . ?
C91 C96 H96 119.2 . . ?
C98 C97 C118 116.6(15) . . ?
C98 C97 P7 120.8(14) . . ?
C118 C97 P7 122.6(13) . . ?
C97 C98 C99 122.6(18) . . ?
C97 C98 H98 118.7 . . ?
C99 C98 H98 118.7 . . ?
C100 C99 C98 118(2) . . ?
C100 C99 H99 121.2 . . ?
C98 C99 H99 121.2 . . ?
C120 C100 C99 120.5(18) . . ?
C120 C100 H100 119.8 . . ?
C99 C100 H100 119.8 . . ?
C82 C101 C78 118.4(13) . . ?
C82 C101 P6 125.1(10) . . ?
C78 C101 P6 116.5(10) . . ?
C103 C102 C107 122.1(15) . . ?
C103 C102 H102 118.9 . . ?
C107 C102 H102 118.9 . . ?
C102 C103 C86 115.6(15) . . ?
C102 C103 P5 125.0(12) . . ?
C86 C103 P5 119.4(11) . . ?
C79 C104 C105 120.0(14) . . ?
C79 C104 H104 120.0 . . ?
C105 C104 H104 120.0 . . ?
C104 C105 C82 120.3(14) . . ?
C104 C105 H105 119.9 . . ?
C82 C105 H105 119.9 . . ?
C3 C106 S2 117.6(10) . . ?
C3 C106 H10A 107.9 . . ?
S2 C106 H10A 107.9 . . ?
C3 C106 H10B 107.9 . . ?
S2 C106 H10B 107.9 . . ?
H10A C106 H10B 107.2 . . ?
C74 C107 C102 120.4(15) . . ?
C74 C107 H107 119.8 . . ?
C102 C107 H107 119.8 . . ?
C83 C108 C109 120.7(14) . . ?
C83 C108 H108 119.7 . . ?
C109 C108 H108 119.7 . . ?
C110 C109 C108 120.3(16) . . ?
C110 C109 H109 119.9 . . ?
C108 C109 H109 119.9 . . ?
C111 C110 C109 118.8(16) . . ?
C111 C110 H110 120.6 . . ?
C109 C110 H110 120.6 . . ?
C110 C111 C84 121.3(16) . . ?
C110 C111 H111 119.3 . . ?
C84 C111 H111 119.3 . . ?
C93 C112 C91 121.2(15) . . ?
C93 C112 H112 119.4 . . ?
C91 C112 H112 119.4 . . ?
C116 C113 C117 121.2(18) . . ?
C116 C113 H113 119.4 . . ?
C117 C113 H113 119.4 . . ?
C117 C114 C119 119.0(16) . . ?
C117 C114 H114 120.5 . . ?
C119 C114 H114 120.5 . . ?
C116 C115 C119 120.8(18) . . ?
C116 C115 H115 119.6 . . ?
C119 C115 H115 119.6 . . ?
C113 C116 C115 119.1(18) . . ?
C113 C116 H116 120.4 . . ?
C115 C116 H116 120.4 . . ?
C113 C117 C114 121.0(19) . . ?
C113 C117 H117 119.5 . . ?
C114 C117 H117 119.5 . . ?
C120 C118 C97 123.7(18) . . ?
C120 C118 H118 118.2 . . ?
C97 C118 H118 118.2 . . ?
C114 C119 C115 118.9(14) . . ?
C114 C119 P8 119.0(12) . . ?
C115 C119 P8 122.1(13) . . ?
C100 C120 C118 119.0(19) . . ?
C100 C120 H120 120.5 . . ?
C118 C120 H120 120.5 . . ?
Cl3 C121 Cl4 118(2) . . ?
Cl3 C121 H12C 107.7 . . ?
Cl4 C121 H12C 107.7 . . ?
Cl3 C121 H12D 107.7 . . ?
Cl4 C121 H12D 107.7 . . ?
H12C C121 H12D 107.1 . . ?
Cl1 C122 Cl2 122(3) . . ?
Cl1 C122 H12A 106.9 . . ?
Cl2 C122 H12A 106.9 . . ?
Cl1 C122 H12B 106.9 . . ?
Cl2 C122 H12B 106.9 . . ?
H12A C122 H12B 106.7 . . ?
C8 C123 C63 120.7(14) . . ?
C8 C123 H123 119.7 . . ?
C63 C123 H123 119.7 . . ?
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 C22 1.72(2) . ?
Co1 C21 1.807(17) . ?
Co1 P1 2.198(4) . y
Co1 Co3 2.514(2) . ?
Co1 Co4 2.525(2) . ?
Co1 Co2 2.551(3) . ?
Co2 C58 1.798(19) . ?
Co2 C59 1.966(14) . ?
Co2 C60 1.968(15) . ?
Co2 P2 2.191(4) . y
Co2 Co3 2.479(3) . y
Co2 Co4 2.491(2) . y
Co3 C20 1.789(19) . ?
Co3 C62 1.953(14) . ?
Co3 C59 1.957(13) . ?
Co3 P3 2.164(4) . y
Co3 Co4 2.407(3) . y
Co4 C56 1.761(17) . ?
Co4 C62 1.905(18) . ?
Co4 C60 1.988(16) . ?
Co4 P4 2.171(4) . y
Co5 C65 1.781(16) . ?
Co5 C70 1.945(16) . ?
Co5 C66 1.949(15) . ?
Co5 P5 2.164(4) . y
Co5 Co6 2.401(2) . y
Co5 Co7 2.487(3) . y
Co5 Co8 2.503(3) . y
Co6 C67 1.786(16) . ?
Co6 C66 1.910(17) . ?
Co6 C68 1.955(19) . ?
Co6 P6 2.183(4) . y
Co6 Co7 2.455(3) . y
Co6 Co8 2.563(3) . y
Co7 C69 1.785(16) . ?
Co7 C68 1.916(14) . ?
Co7 C70 1.957(13) . ?
Co7 P7 2.150(5) . y
Co7 Co8 2.550(2) . y
Co8 C89 1.77(2) . ?
Co8 C90 1.824(17) . ?
Co8 P8 2.216(4) . y
Cl1 C122 1.48(5) . ?
Cl2 C122 1.68(6) . ?
Cl3 C121 1.63(4) . ?
Cl4 C121 1.70(4) . ?
S1 C4 1.806(15) . ?
S1 C77 1.821(12) . ?
S2 C81 1.803(15) . ?
S2 C106 1.808(14) . ?
P1 N1 1.695(12) . ?
P1 C28 1.846(13) . ?
P1 C88 1.862(14) . ?
P2 N1 1.722(12) . ?
P2 C40 1.834(13) . ?
P2 C16 1.842(13) . ?
P3 N2 1.701(12) . ?
P3 C46 1.852(16) . ?
P3 C57 1.859(14) . ?
P4 N2 1.697(11) . ?
P4 C52 1.829(16) . ?
P4 C34 1.831(14) . ?
P5 N3 1.702(10) . ?
P5 C10 1.816(13) . ?
P5 C103 1.832(16) . ?
P6 N3 1.718(10) . ?
P6 C101 1.832(13) . ?
P6 C83 1.830(15) . ?
P7 N4 1.702(11) . ?
P7 C91 1.818(15) . ?
P7 C97 1.828(15) . ?
P8 N4 1.713(11) . ?
P8 C71 1.838(15) . ?
P8 C119 1.854(14) . ?
O1 C89 1.162(19) . ?
O2 C67 1.132(16) . ?
O3 C66 1.159(16) . ?
O4 C90 1.120(16) . ?
O5 C68 1.170(17) . ?
O6 C70 1.143(14) . ?
O7 C69 1.134(16) . ?
O8 C65 1.136(16) . ?
O9 C20 1.120(17) . ?
O10 C62 1.175(16) . ?
O11 C60 1.137(16) . ?
O12 C56 1.141(16) . ?
O13 C59 1.138(14) . ?
O14 C58 1.129(17) . ?
O15 C21 1.131(16) . ?
O16 C22 1.18(2) . ?
N1 C87 1.509(15) . ?
N3 C80 1.493(17) . ?
C1 C3 1.380(18) . ?
C1 C2 1.383(19) . ?
C1 H1 0.9500 . ?
C2 C3 1.404(19) 2_546 ?
C2 C4 1.517(17) . ?
C3 C2 1.404(19) 2_546 ?
C3 C106 1.499(19) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C28 1.375(19) . ?
C5 C6 1.39(2) . ?
C5 H5 0.9500 . ?
C6 C25 1.39(2) . ?
C6 H6 0.9500 . ?
C7 C18 1.35(2) . ?
C7 C12 1.38(2) . ?
C7 H7 0.9500 . ?
C8 C9 1.37(2) . ?
C8 C123 1.36(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.395(17) . ?
C9 H9 0.9500 . ?
C10 C64 1.384(18) . ?
C11 C12 1.379(19) . ?
C11 C16 1.399(18) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.35(2) . ?
C13 C38 1.38(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.43(2) . ?
C14 H14 0.9500 . ?
C15 C40 1.36(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.404(18) . ?
C17 C18 1.373(19) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C30 1.37(2) . ?
C19 C24 1.38(2) . ?
C19 H19 0.9500 . ?
C23 C24 1.353(18) . ?
C23 C88 1.397(18) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C26 1.38(2) . ?
C25 H25 0.9500 . ?
C26 C27 1.37(2) . ?
C26 H26 0.9500 . ?
C27 C28 1.415(18) . ?
C27 H27 0.9500 . ?
C29 C30 1.365(18) . ?
C29 C88 1.396(17) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C54 1.36(2) . ?
C31 C36 1.37(2) . ?
C31 H31 0.9500 . ?
C32 C37 1.41(3) . ?
C32 C33 1.40(2) . ?
C32 H32 0.9500 . ?
C33 C34 1.35(2) . ?
C33 H33 0.9500 . ?
C34 C41 1.36(2) . ?
C35 C36 1.35(2) . ?
C35 C52 1.406(19) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C42 1.33(3) . ?
C37 H37 0.9500 . ?
C38 C39 1.38(2) . ?
C38 H38 0.9500 . ?
C39 C40 1.36(2) . ?
C39 H39 0.9500 . ?
C41 C42 1.38(2) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C55 1.35(2) . ?
C43 C48 1.37(2) . ?
C43 H43 0.9500 . ?
C44 C49 1.32(3) . ?
C44 C45 1.43(3) . ?
C44 H44 0.9500 . ?
C45 C46 1.35(2) . ?
C45 H45 0.9500 . ?
C46 C51 1.41(2) . ?
C47 C48 1.35(2) . ?
C47 C57 1.357(19) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C50 1.35(3) . ?
C49 H49 0.9500 . ?
C50 C51 1.40(2) . ?
C50 H50 0.9500 . ?
C51 H51 0.9500 . ?
C52 C53 1.39(2) . ?
C53 C54 1.35(2) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C61 1.38(2) . ?
C55 H55 0.9500 . ?
C57 C61 1.34(2) . ?
C61 H61 0.9500 . ?
C63 C64 1.391(19) . ?
C63 C123 1.42(2) . ?
C63 H63 0.9500 . ?
C64 H64 0.9500 . ?
C71 C72 1.37(2) . ?
C71 C76 1.38(2) . ?
C72 C73 1.44(3) . ?
C72 H72 0.9500 . ?
C73 C92 1.30(3) . ?
C73 H73 0.9500 . ?
C74 C85 1.34(2) . ?
C74 C107 1.35(2) . ?
C74 H74 0.9500 . ?
C75 C92 1.36(3) . ?
C75 C76 1.40(2) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C77 C87 1.501(18) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 C79 1.39(2) . ?
C78 C101 1.400(17) . ?
C78 H78 0.9500 . ?
C79 C104 1.35(2) . ?
C79 H79 0.9500 . ?
C80 C81 1.53(2) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 C101 1.379(18) . ?
C82 C105 1.385(19) . ?
C82 H82 0.9500 . ?
C83 C108 1.39(2) . ?
C83 C84 1.394(19) . ?
C84 C111 1.38(2) . ?
C84 H84 0.9500 . ?
C85 C86 1.38(2) . ?
C85 H85 0.9500 . ?
C86 C103 1.40(2) . ?
C86 H86 0.9500 . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C91 C96 1.37(2) . ?
C91 C112 1.38(2) . ?
C92 H92 0.9500 . ?
C93 C94 1.35(2) . ?
C93 C112 1.37(2) . ?
C93 H93 0.9500 . ?
C94 C95 1.39(3) . ?
C94 H94 0.9500 . ?
C95 C96 1.36(2) . ?
C95 H95 0.9500 . ?
C96 H96 0.9500 . ?
C97 C98 1.35(2) . ?
C97 C118 1.37(2) . ?
C98 C99 1.41(3) . ?
C98 H98 0.9500 . ?
C99 C100 1.38(3) . ?
C99 H99 0.9500 . ?
C100 C120 1.36(3) . ?
C100 H100 0.9500 . ?
C102 C103 1.360(18) . ?
C102 C107 1.38(2) . ?
C102 H102 0.9500 . ?
C104 C105 1.37(2) . ?
C104 H104 0.9500 . ?
C105 H105 0.9500 . ?
C106 H10A 0.9900 . ?
C106 H10B 0.9900 . ?
C107 H107 0.9500 . ?
C108 C109 1.41(2) . ?
C108 H108 0.9500 . ?
C109 C110 1.38(2) . ?
C109 H109 0.9500 . ?
C110 C111 1.37(2) . ?
C110 H110 0.9500 . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C113 C116 1.35(3) . ?
C113 C117 1.35(3) . ?
C113 H113 0.9500 . ?
C114 C117 1.37(2) . ?
C114 C119 1.38(2) . ?
C114 H114 0.9500 . ?
C115 C116 1.37(2) . ?
C115 C119 1.39(2) . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
C117 H117 0.9500 . ?
C118 C120 1.37(2) . ?
C118 H118 0.9500 . ?
C120 H120 0.9500 . ?
C121 H12C 0.9900 . ?
C121 H12D 0.9900 . ?
C122 H12A 0.9900 . ?
C122 H12B 0.9900 . ?
C123 H123 0.9500 . ?
