#------------------------------------------------------------------------------
#$Date: 2023-12-08 18:12:05 +0100 (Fri 08 de Dec de 2023) $
#$Revision: 288193 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/46/7104607.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_7104607
loop_
_publ_author_name
'Liu, Jie'
'Wei, Alexander'
_publ_section_title
;
 Prenucleation and coalescence of cobalt nanoclusters mediated by
 multivalent calixarene complexes.
;
_journal_issue                   28
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              4254
_journal_page_last               4256
_journal_paper_doi               10.1039/b903954f
_journal_volume                  34
_journal_year                    2009
_chemical_formula_moiety         'C104 H48 Co16 O56,C6 H6'
_chemical_formula_sum            'C110 H54 Co16 O56'
_chemical_formula_weight         3214.55
_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_type_scat_source
'International Tables for Crystallography (Vol C)'
_cell_angle_alpha                96.7847(14)
_cell_angle_beta                 103.493(2)
_cell_angle_gamma                90.824(3)
_cell_formula_units_Z            2
_cell_length_a                   14.7094(5)
_cell_length_b                   18.5694(7)
_cell_length_c                   24.4316(9)
_cell_measurement_reflns_used    35596
_cell_measurement_temperature    150.00(2)
_cell_measurement_theta_max      23
_cell_measurement_theta_min      2
_cell_volume                     6437.6(4)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1996)'
_computing_data_collection       'Collect (Nonius, 1998)'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1996)'
_computing_molecular_graphics
;
ORTEP (Johnson, 1976)
PLATON (Spek, 1997)
;
_computing_publication_material  'SHELX97(Sheldrick, 2008) and local programs'
_computing_structure_refinement  'SHELX97 (Sheldrick, 2008)'
_computing_structure_solution
;
Direct methods (SIR2004, Burla et al., 2005)
;
_diffrn_ambient_temperature      150.00(2)
_diffrn_measured_fraction_theta_full 0.9604
_diffrn_measured_fraction_theta_max 0.9604
_diffrn_measurement_device_type  Nonius_KappaCCD
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'graphite 002'
_diffrn_radiation_type           MO-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            35596
_diffrn_reflns_theta_full        23.3
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         2.33
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.086
_exptl_absorpt_correction_T_max  0.6254
_exptl_absorpt_correction_T_min  0.5922
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3188
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.23
_platon_squeeze_details
;
;
_refine_diff_density_max         1.07
_refine_diff_density_min         -0.59
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1643
_refine_ls_number_reflns         17744
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.100
_refine_ls_R_factor_gt           0.062
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'1/[σ²(Fo²)+(0.1148P)²+0.0000P] where P=(Fo²+2Fc²)/3 '
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.168
_refine_ls_wR_factor_ref         0.185
_reflns_number_gt                11712
_reflns_number_total             17744
_reflns_threshold_expression     >2.0σ(I)
_cod_data_source_file            b903954f.txt
_cod_data_source_block           LJPC1M
_cod_depositor_comments
;
The following automatic conversions were performed:
'_refine_ls_weighting_scheme' value 'calc ' changed to 'calc' 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 

The following automatic conversions were performed:

data name '_exptl_absorpt__process_details' was replaced with
'_exptl_absorpt_process_details' as specified in the replacement file
'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_database_code               7104607
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_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
Co11 1.15418(8) 0.67876(7) 0.61478(5) 0.0740(4) Uani 1 1 d . . .
Co12 1.26479(8) 0.58186(8) 0.63873(5) 0.0803(4) Uani 1 1 d . . .
Co13 1.18610(7) 0.25898(6) 0.26253(4) 0.0554(3) Uani 1 1 d . . .
Co14 1.31928(7) 0.34185(6) 0.26402(5) 0.0565(3) Uani 1 1 d . . .
Co21 0.91072(7) 0.62725(6) -0.02577(4) 0.0540(3) Uani 1 1 d . . .
Co22 1.05056(8) 0.71149(6) -0.00326(5) 0.0644(3) Uani 1 1 d . . .
Co23 1.37046(6) 0.66126(6) 0.33846(4) 0.0525(3) Uani 1 1 d . . .
Co24 1.35411(6) 0.62773(6) 0.23505(4) 0.0530(3) Uani 1 1 d . . .
Co31 0.57357(7) 1.08270(5) 0.26790(4) 0.0552(3) Uani 1 1 d . . .
Co32 0.45169(7) 1.00859(6) 0.29206(5) 0.0572(3) Uani 1 1 d . . .
Co33 0.47342(7) 0.63446(6) -0.07861(4) 0.0566(3) Uani 1 1 d . . .
Co34 0.40361(8) 0.74987(6) -0.05340(5) 0.0646(3) Uani 1 1 d . . .
Co41 1.21013(7) 0.99602(6) 0.42370(5) 0.0587(3) Uani 1 1 d . . .
Co42 1.16939(7) 0.94052(6) 0.50193(4) 0.0570(3) Uani 1 1 d . . .
Co43 0.82945(8) 0.98643(6) 0.11427(4) 0.0583(3) Uani 1 1 d . . .
Co44 0.93292(7) 1.03749(6) 0.20581(5) 0.0583(3) Uani 1 1 d . . .
O11A 0.9551(5) 0.7045(4) 0.5767(3) 0.094(2) Uani 1 1 d . . .
O11B 1.1921(7) 0.7788(7) 0.7198(5) 0.194(6) Uani 1 1 d . . .
O11C 1.2471(6) 0.7437(4) 0.5375(4) 0.112(3) Uani 1 1 d . . .
O12A 1.2766(5) 0.4480(4) 0.6916(3) 0.095(2) Uani 1 1 d . . .
O12B 1.3828(7) 0.6772(6) 0.7316(4) 0.171(5) Uani 1 1 d . . .
O12C 1.3762(11) 0.5616(11) 0.5523(7) 0.302(12) Uani 1 1 d . . .
O13A 1.2380(4) 0.1226(4) 0.2074(3) 0.094(2) Uani 1 1 d . . .
O13B 1.0490(4) 0.3245(3) 0.1755(3) 0.0713(16) Uani 1 1 d . . .
O13C 1.0672(6) 0.1961(4) 0.3269(3) 0.107(2) Uani 1 1 d . . .
O141 1.0987(4) 0.5932(3) 0.4840(2) 0.0765(18) Uani 1 1 d . . .
O14A 1.4672(5) 0.4441(4) 0.3328(4) 0.106(3) Uani 1 1 d . . .
O14B 1.2223(4) 0.4367(3) 0.1827(3) 0.0709(15) Uani 1 1 d . . .
O14C 1.4215(4) 0.2345(3) 0.2041(3) 0.0820(18) Uani 1 1 d . . .
O161 1.1310(3) 0.4361(3) 0.31679(19) 0.0514(12) Uani 1 1 d . . .
O21A 0.7926(5) 0.5285(4) 0.0164(3) 0.0879(19) Uani 1 1 d . . .
O21B 0.9767(4) 0.5195(3) -0.1053(3) 0.0779(17) Uani 1 1 d . . .
O21C 0.7681(5) 0.7114(4) -0.0932(3) 0.095(2) Uani 1 1 d . . .
O22A 1.1873(6) 0.7946(5) 0.0903(5) 0.154(4) Uani 1 1 d . . .
O22B 0.9721(6) 0.8210(4) -0.0774(4) 0.109(3) Uani 1 1 d . . .
O22C 1.1731(5) 0.6229(4) -0.0623(3) 0.103(2) Uani 1 1 d . . .
O23A 1.2984(5) 0.6390(5) 0.4380(3) 0.106(2) Uani 1 1 d . . .
O23B 1.3927(4) 0.8206(4) 0.3521(3) 0.0837(18) Uani 1 1 d . . .
O23C 1.5602(4) 0.6047(4) 0.3693(3) 0.0859(19) Uani 1 1 d . . .
O241 0.8522(3) 0.7197(2) 0.1042(2) 0.0484(12) Uani 1 1 d . . .
O24A 1.2271(4) 0.5816(3) 0.1224(3) 0.0756(17) Uani 1 1 d . . .
O24B 1.4110(5) 0.7719(4) 0.2126(3) 0.088(2) Uani 1 1 d . . .
O24C 1.5091(5) 0.5317(4) 0.2286(3) 0.097(2) Uani 1 1 d . . .
O261 1.1092(3) 0.6085(3) 0.2221(2) 0.0504(12) Uani 1 1 d . . .
O31A 0.6339(5) 1.1447(4) 0.1771(3) 0.095(2) Uani 1 1 d . . .
O31B 0.7468(4) 1.0220(3) 0.3302(2) 0.0728(16) Uani 1 1 d . . .
O31C 0.5474(5) 1.2164(3) 0.3389(3) 0.0870(19) Uani 1 1 d . . .
O32A 0.5806(4) 0.9372(3) 0.3783(3) 0.0801(18) Uani 1 1 d . . .
O32B 0.2963(5) 0.9009(4) 0.2491(4) 0.110(3) Uani 1 1 d . . .
O32C 0.3642(5) 1.1208(3) 0.3562(3) 0.087(2) Uani 1 1 d . . .
O33A 0.6362(5) 0.5552(4) -0.0993(3) 0.105(2) Uani 1 1 d . . .
O33B 0.3377(5) 0.5861(3) -0.1868(3) 0.090(2) Uani 1 1 d . . .
O33C 0.4236(4) 0.5577(3) 0.0099(3) 0.0786(17) Uani 1 1 d . . .
O341 0.5898(3) 0.8888(2) 0.22324(19) 0.0501(12) Uani 1 1 d . . .
O34A 0.4209(5) 0.9086(4) -0.0414(4) 0.118(3) Uani 1 1 d . . .
O34B 0.2345(5) 0.7262(4) -0.1464(3) 0.108(2) Uani 1 1 d . . .
O34C 0.3502(5) 0.7211(5) 0.0506(4) 0.102(2) Uani 1 1 d . . .
O361 0.5761(3) 0.7073(2) 0.06209(18) 0.0443(11) Uani 1 1 d . . .
O41A 1.1765(5) 1.0108(6) 0.3042(3) 0.138(4) Uani 1 1 d . . .
O41B 1.4128(5) 0.9755(4) 0.4503(3) 0.097(2) Uani 1 1 d . . .
O41C 1.1731(6) 1.1470(4) 0.4578(4) 0.127(3) Uani 1 1 d . . .
O42A 1.1443(5) 1.0768(4) 0.5710(3) 0.100(2) Uani 1 1 d . . .
O42B 1.3552(4) 0.8948(3) 0.5575(3) 0.0824(18) Uani 1 1 d . . .
O42C 1.0382(6) 0.8425(5) 0.5352(4) 0.115(3) Uani 1 1 d . . .
O43A 0.9647(5) 0.9165(3) 0.0541(3) 0.090(2) Uani 1 1 d . . .
O43B 0.6399(5) 0.9249(3) 0.0624(3) 0.0842(18) Uani 1 1 d . . .
O43C 0.8076(4) 1.1238(4) 0.0653(3) 0.0816(18) Uani 1 1 d . . .
O441 1.1007(3) 0.7714(3) 0.3936(2) 0.0532(13) Uani 1 1 d . . .
O44A 1.1048(6) 0.9750(5) 0.1807(3) 0.122(3) Uani 1 1 d . . .
O44B 0.9320(5) 1.1929(4) 0.1922(3) 0.096(2) Uani 1 1 d . . .
O44C 0.9650(4) 1.0487(3) 0.3302(3) 0.0754(17) Uani 1 1 d . . .
O461 0.8631(3) 0.8913(2) 0.26852(19) 0.0492(12) Uani 1 1 d . . .
C11 1.0242(4) 0.5297(3) 0.3086(3) 0.0384(16) Uani 1 1 d . . .
C12 0.9868(4) 0.5895(4) 0.3342(3) 0.0449(17) Uani 1 1 d . . .
C13 1.0125(5) 0.6140(4) 0.3920(3) 0.0431(17) Uani 1 1 d . . .
C14 1.0761(5) 0.5722(4) 0.4257(3) 0.056(2) Uani 1 1 d . . .
C15 1.1157(5) 0.5118(4) 0.4004(3) 0.0487(18) Uani 1 1 d . . .
C16 1.0914(5) 0.4935(4) 0.3436(3) 0.0441(17) Uani 1 1 d . . .
C17 0.9907(4) 0.5036(3) 0.2458(3) 0.0429(17) Uani 1 1 d . . .
C18 0.9214(5) 0.4384(4) 0.2358(3) 0.0527(19) Uani 1 1 d . . .
C21 0.9525(4) 0.5642(4) 0.2105(3) 0.0408(16) Uani 1 1 d . . .
C22 0.8573(4) 0.5694(4) 0.1858(3) 0.0382(15) Uani 1 1 d . . .
C23 0.8235(4) 0.6215(3) 0.1519(3) 0.0378(16) Uani 1 1 d . . .
C24 0.8884(5) 0.6701(4) 0.1415(3) 0.0453(18) Uani 1 1 d . . .
C25 0.9839(5) 0.6699(4) 0.1668(3) 0.0461(17) Uani 1 1 d . . .
C26 1.0138(4) 0.6156(4) 0.2014(3) 0.0408(16) Uani 1 1 d . . .
C27 0.7202(4) 0.6292(4) 0.1248(3) 0.0478(18) Uani 1 1 d . . .
C28 0.6600(5) 0.5637(4) 0.1283(3) 0.0532(19) Uani 1 1 d . . .
C31 0.6840(4) 0.6973(4) 0.1505(3) 0.0416(16) Uani 1 1 d . . .
C32 0.7161(5) 0.7237(4) 0.2070(3) 0.0449(17) Uani 1 1 d . . .
C33 0.6838(4) 0.7870(4) 0.2319(3) 0.0424(17) Uani 1 1 d . . .
C34 0.6170(5) 0.8264(4) 0.1966(3) 0.0447(17) Uani 1 1 d . . .
C35 0.5831(4) 0.8011(4) 0.1412(3) 0.0465(17) Uani 1 1 d . . .
C36 0.6175(4) 0.7354(4) 0.1170(3) 0.0419(16) Uani 1 1 d . . .
C37 0.7163(5) 0.8122(4) 0.2957(3) 0.0440(17) Uani 1 1 d . . .
C38 0.6504(5) 0.7790(5) 0.3258(3) 0.059(2) Uani 1 1 d . . .
C41 0.8189(5) 0.7970(3) 0.3180(3) 0.0417(16) Uani 1 1 d . . .
C42 0.8491(5) 0.7456(3) 0.3547(3) 0.0418(16) Uani 1 1 d . . .
C43 0.9410(5) 0.7349(4) 0.3786(3) 0.0483(18) Uani 1 1 d . . .
C44 1.0089(5) 0.7801(4) 0.3658(3) 0.0439(17) Uani 1 1 d . . .
C45 0.9826(5) 0.8291(4) 0.3268(3) 0.0460(17) Uani 1 1 d . . .
C46 0.8891(5) 0.8368(4) 0.3030(3) 0.0431(17) Uani 1 1 d . . .
C47 0.9707(5) 0.6791(4) 0.4194(3) 0.0491(18) Uani 1 1 d . . .
C48 0.8906(6) 0.6552(4) 0.4437(3) 0.060(2) Uani 1 1 d . . .
C11A 1.0345(7) 0.6964(5) 0.5899(4) 0.077(3) Uani 1 1 d . . .
C11B 1.1763(8) 0.7366(8) 0.6777(5) 0.120(4) Uani 1 1 d . . .
C11C 1.2088(8) 0.7209(5) 0.5680(5) 0.086(3) Uani 1 1 d . . .
C12A 1.2734(6) 0.4988(6) 0.6707(4) 0.075(3) Uani 1 1 d . . .
C12B 1.3358(8) 0.6431(7) 0.6987(5) 0.111(4) Uani 1 1 d . . .
C12C 1.3343(12) 0.5712(13) 0.5862(8) 0.205(10) Uani 1 1 d . . .
C13A 1.2175(6) 0.1758(5) 0.2272(4) 0.070(2) Uani 1 1 d . . .
C13B 1.1004(6) 0.2991(4) 0.2092(4) 0.059(2) Uani 1 1 d . . .
C13C 1.1128(7) 0.2214(5) 0.3006(4) 0.071(2) Uani 1 1 d . . .
C142 1.1257(12) 0.5477(6) 0.5198(4) 0.142(6) Uani 1 1 d . . .
C143 1.1513(6) 0.5783(5) 0.5787(3) 0.064(2) Uani 1 1 d . . .
C144 1.1286(5) 0.5807(5) 0.6282(4) 0.074(3) Uani 1 1 d . . .
C14A 1.4107(7) 0.4044(5) 0.3060(4) 0.076(3) Uani 1 1 d . . .
C14B 1.2602(5) 0.4009(4) 0.2144(4) 0.060(2) Uani 1 1 d . . .
C14C 1.3828(6) 0.2781(5) 0.2266(4) 0.068(2) Uani 1 1 d . . .
C162 1.2009(5) 0.3987(4) 0.3531(3) 0.0502(18) Uani 1 1 d . . .
C163 1.2406(5) 0.3428(4) 0.3175(3) 0.0503(18) Uani 1 1 d . . .
C164 1.2976(5) 0.2878(4) 0.3237(3) 0.0533(19) Uani 1 1 d . . .
C21A 0.8387(6) 0.5680(5) 0.0000(4) 0.065(2) Uani 1 1 d . . .
C21B 0.9507(6) 0.5617(5) -0.0741(4) 0.062(2) Uani 1 1 d . . .
C21C 0.8239(6) 0.6776(5) -0.0686(4) 0.067(2) Uani 1 1 d . . .
C22A 1.1354(8) 0.7649(6) 0.0522(6) 0.101(4) Uani 1 1 d . . .
C22B 1.0039(7) 0.7802(6) -0.0495(5) 0.083(3) Uani 1 1 d . . .
C22C 1.1282(6) 0.6578(5) -0.0402(4) 0.071(2) Uani 1 1 d . . .
C23A 1.3271(6) 0.6485(5) 0.4001(4) 0.072(2) Uani 1 1 d . . .
C23B 1.3851(6) 0.7594(5) 0.3467(4) 0.066(2) Uani 1 1 d . . .
C23C 1.4880(6) 0.6279(5) 0.3595(3) 0.066(2) Uani 1 1 d . . .
C242 0.9153(5) 0.7523(4) 0.0766(3) 0.0511(18) Uani 1 1 d . . .
C243 0.9587(5) 0.6992(4) 0.0412(3) 0.0488(18) Uani 1 1 d . . .
C244 1.0127(5) 0.6434(4) 0.0424(3) 0.059(2) Uani 1 1 d . . .
C24A 1.2765(6) 0.5987(5) 0.1653(4) 0.063(2) Uani 1 1 d . . .
C24B 1.3888(6) 0.7161(6) 0.2212(4) 0.067(2) Uani 1 1 d . . .
C24C 1.4508(6) 0.5699(5) 0.2304(4) 0.067(2) Uani 1 1 d . . .
C262 1.1585(5) 0.6643(4) 0.2624(3) 0.0494(18) Uani 1 1 d . . .
C263 1.2579(4) 0.6411(4) 0.2788(3) 0.0478(18) Uani 1 1 d . . .
C264 1.3010(5) 0.5797(4) 0.2881(3) 0.0515(18) Uani 1 1 d . . .
C31A 0.6129(6) 1.1226(5) 0.2118(4) 0.067(2) Uani 1 1 d . . .
C31B 0.6818(6) 1.0453(5) 0.3063(3) 0.060(2) Uani 1 1 d . . .
C31C 0.5582(6) 1.1669(5) 0.3123(4) 0.067(2) Uani 1 1 d . . .
C32A 0.5293(6) 0.9631(4) 0.3448(4) 0.061(2) Uani 1 1 d . . .
C32B 0.3565(7) 0.9430(5) 0.2674(5) 0.076(3) Uani 1 1 d . . .
C32C 0.3984(6) 1.0786(5) 0.3322(4) 0.065(2) Uani 1 1 d . . .
C33A 0.5704(7) 0.5851(5) -0.0920(4) 0.073(2) Uani 1 1 d . . .
C33B 0.3906(7) 0.6034(4) -0.1444(4) 0.068(2) Uani 1 1 d . . .
C33C 0.4414(5) 0.5852(4) -0.0248(4) 0.061(2) Uani 1 1 d . . .
C342 0.5257(5) 0.9295(4) 0.1886(3) 0.0495(18) Uani 1 1 d . . .
C343 0.5048(5) 0.9954(4) 0.2257(3) 0.0536(19) Uani 1 1 d . . .
C344 0.4492(5) 1.0514(4) 0.2226(3) 0.058(2) Uani 1 1 d . . .
C34A 0.4141(7) 0.8465(6) -0.0448(5) 0.089(3) Uani 1 1 d . . .
C34B 0.2995(7) 0.7369(5) -0.1104(4) 0.079(3) Uani 1 1 d . . .
C34C 0.3698(6) 0.7328(6) 0.0102(5) 0.085(3) Uani 1 1 d . . .
C362 0.6062(5) 0.7397(4) 0.0196(3) 0.0550(19) Uani 1 1 d . . .
C363 0.5328(5) 0.7243(4) -0.0336(3) 0.0498(18) Uani 1 1 d . . .
C364 0.5070(6) 0.7329(4) -0.0890(3) 0.060(2) Uani 1 1 d . . .
C41A 1.1893(6) 1.0043(7) 0.3503(5) 0.090(3) Uani 1 1 d . . .
C41B 1.3360(6) 0.9853(5) 0.4403(4) 0.069(2) Uani 1 1 d . . .
C41C 1.1894(7) 1.0898(5) 0.4446(4) 0.080(3) Uani 1 1 d . . .
C42A 1.1524(6) 1.0230(6) 0.5445(4) 0.073(2) Uani 1 1 d . . .
C42B 1.2827(6) 0.9118(5) 0.5370(3) 0.065(2) Uani 1 1 d . . .
C42C 1.0915(7) 0.8803(6) 0.5231(4) 0.081(3) Uani 1 1 d . . .
C43A 0.9117(7) 0.9421(5) 0.0768(4) 0.069(2) Uani 1 1 d . . .
C43B 0.7160(7) 0.9471(5) 0.0801(4) 0.070(2) Uani 1 1 d . . .
C43C 0.8150(6) 1.0713(5) 0.0835(4) 0.064(2) Uani 1 1 d . . .
C442 1.1691(5) 0.8256(4) 0.3923(3) 0.058(2) Uani 1 1 d . . .
C443 1.1555(5) 0.8990(4) 0.4224(3) 0.057(2) Uani 1 1 d . . .
C444 1.0938(5) 0.9488(4) 0.4265(3) 0.059(2) Uani 1 1 d . . .
C44A 1.0393(7) 1.0026(6) 0.1919(4) 0.082(3) Uani 1 1 d . . .
C44B 0.9333(6) 1.1320(5) 0.1976(4) 0.074(2) Uani 1 1 d . . .
C44C 0.9542(5) 1.0441(4) 0.2827(5) 0.063(2) Uani 1 1 d . . .
C462 0.8727(5) 0.8762(4) 0.2113(3) 0.0544(19) Uani 1 1 d . . .
C463 0.8570(5) 0.9466(4) 0.1869(3) 0.056(2) Uani 1 1 d . . .
C464 0.8017(5) 1.0043(4) 0.1886(3) 0.0528(19) Uani 1 1 d . . .
C911 0.3770(10) 0.0132(10) 0.0693(5) 0.125(4) Uani 1 1 d . . .
C912 0.3087(13) -0.0380(7) 0.0719(5) 0.120(4) Uani 1 1 d . . .
C913 0.2200(11) -0.0193(13) 0.0726(7) 0.162(8) Uani 1 1 d . . .
C914 0.200(2) 0.0453(16) 0.0701(7) 0.220(14) Uani 1 1 d . . .
C915 0.263(3) 0.1089(12) 0.0710(10) 0.204(13) Uani 1 1 d . . .
C916 0.345(2) 0.0863(11) 0.0697(6) 0.175(10) Uani 1 1 d . . .
H12 0.9410 0.6151 0.3107 0.054 Uiso 1 1 calc R . .
H15 1.1595 0.4842 0.4234 0.058 Uiso 1 1 calc R . .
H17 1.0467 0.4858 0.2325 0.052 Uiso 1 1 calc R . .
H22 0.8141 0.5353 0.1929 0.046 Uiso 1 1 calc R . .
H25 1.0269 0.7051 0.1607 0.055 Uiso 1 1 calc R . .
H27 0.7145 0.6333 0.0837 0.057 Uiso 1 1 calc R . .
H32 0.7621 0.6978 0.2300 0.054 Uiso 1 1 calc R . .
H35 0.5366 0.8267 0.1182 0.056 Uiso 1 1 calc R . .
H37 0.7105 0.8660 0.3013 0.053 Uiso 1 1 calc R . .
H42 0.8029 0.7159 0.3637 0.050 Uiso 1 1 calc R . .
H45 1.0290 0.8573 0.3166 0.055 Uiso 1 1 calc R . .
H47 1.0207 0.7029 0.4518 0.059 Uiso 1 1 calc R . .
H144 1.0813 0.5556 0.6437 0.088 Uiso 1 1 calc R . .
H14A 1.1802 0.5228 0.5104 0.171 Uiso 1 1 calc R . .
H14B 1.0747 0.5104 0.5150 0.171 Uiso 1 1 calc R . .
H164 1.3368 0.2655 0.3560 0.064 Uiso 1 1 calc R . .
H16A 1.1725 0.3752 0.3798 0.060 Uiso 1 1 calc R . .
H16B 1.2511 0.4336 0.3754 0.060 Uiso 1 1 calc R . .
H18A 0.9515 0.3991 0.2559 0.079 Uiso 1 1 calc R . .
H18B 0.9018 0.4215 0.1951 0.079 Uiso 1 1 calc R . .
H18C 0.8665 0.4528 0.2501 0.079 Uiso 1 1 calc R . .
H244 1.0453 0.6134 0.0718 0.071 Uiso 1 1 calc R . .
H24A 0.9655 0.7803 0.1059 0.061 Uiso 1 1 calc R . .
H24B 0.8809 0.7870 0.0524 0.061 Uiso 1 1 calc R . .
H264 1.2821 0.5288 0.2917 0.062 Uiso 1 1 calc R . .
H26A 1.1312 0.6710 0.2960 0.059 Uiso 1 1 calc R . .
H26B 1.1562 0.7106 0.2459 0.059 Uiso 1 1 calc R . .
H28A 0.6653 0.5576 0.1682 0.080 Uiso 1 1 calc R . .
H28B 0.6812 0.5203 0.1089 0.080 Uiso 1 1 calc R . .
H28C 0.5946 0.5711 0.1101 0.080 Uiso 1 1 calc R . .
H344 0.4007 1.0706 0.1926 0.070 Uiso 1 1 calc R . .
H34A 0.4675 0.8999 0.1710 0.059 Uiso 1 1 calc R . .
H34B 0.5527 0.9448 0.1581 0.059 Uiso 1 1 calc R . .
H364 0.5347 0.7563 -0.1165 0.072 Uiso 1 1 calc R . .
H36A 0.6660 0.7195 0.0144 0.066 Uiso 1 1 calc R . .
H36B 0.6163 0.7928 0.0306 0.066 Uiso 1 1 calc R . .
H38A 0.5863 0.7922 0.3097 0.089 Uiso 1 1 calc R . .
H38B 0.6682 0.7972 0.3663 0.089 Uiso 1 1 calc R . .
H38C 0.6540 0.7260 0.3209 0.089 Uiso 1 1 calc R . .
H444 1.0259 0.9539 0.4093 0.071 Uiso 1 1 calc R . .
H44A 1.1677 0.8307 0.3522 0.069 Uiso 1 1 calc R . .
H44B 1.2317 0.8093 0.4099 0.069 Uiso 1 1 calc R . .
H464 0.7456 1.0170 0.2037 0.063 Uiso 1 1 calc R . .
H46A 0.8258 0.8384 0.1895 0.065 Uiso 1 1 calc R . .
H46B 0.9360 0.8594 0.2105 0.065 Uiso 1 1 calc R . .
H48A 0.8613 0.6980 0.4583 0.091 Uiso 1 1 calc R . .
H48B 0.9148 0.6263 0.4747 0.091 Uiso 1 1 calc R . .
H48C 0.8441 0.6257 0.4139 0.091 Uiso 1 1 calc R . .
H911 0.4388 0.0010 0.0674 0.150 Uiso 1 1 calc R . .
H912 0.3245 -0.0873 0.0733 0.144 Uiso 1 1 calc R . .
H913 0.1742 -0.0546 0.0749 0.195 Uiso 1 1 calc R . .
H914 0.1364 0.0552 0.0672 0.264 Uiso 1 1 calc R . .
H915 0.2449 0.1580 0.0722 0.245 Uiso 1 1 calc R . .
H916 0.3911 0.1227 0.0690 0.210 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_radius_bond
Co 1.16
O 0.73
C 0.77
H 0.32
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C11B Co11 C11A 98.1(5) . . . ?
C11B Co11 C11C 106.4(6) . . . ?
C11A Co11 C11C 102.8(5) . . . ?
C11B Co11 C144 110.3(6) . . . ?
C11A Co11 C144 94.0(4) . . . ?
C11C Co11 C144 136.7(4) . . . ?
C11B Co11 C143 146.5(6) . . . ?
C11A Co11 C143 98.5(4) . . . ?
C11C Co11 C143 97.9(4) . . . ?
C144 Co11 C143 39.7(3) . . . ?
C11B Co11 Co12 102.1(5) . . . ?
C11A Co11 Co12 144.0(3) . . . ?
C11C Co11 Co12 99.6(3) . . . ?
C144 Co11 Co12 51.0(2) . . . ?
C143 Co11 Co12 50.4(2) . . . ?
C12A Co12 C12C 106.2(7) . . . ?
C12A Co12 C12B 99.2(5) . . . ?
C12C Co12 C12B 105.3(9) . . . ?
C12A Co12 C143 110.1(4) . . . ?
C12C Co12 C143 90.2(6) . . . ?
C12B Co12 C143 141.6(5) . . . ?
C12A Co12 C144 92.2(4) . . . ?
C12C Co12 C144 129.7(7) . . . ?
C12B Co12 C144 117.7(5) . . . ?
C143 Co12 C144 39.7(3) . . . ?
C12A Co12 Co11 140.4(3) . . . ?
C12C Co12 Co11 108.0(5) . . . ?
C12B Co12 Co11 90.6(4) . . . ?
C143 Co12 Co11 51.1(3) . . . ?
C144 Co12 Co11 50.1(3) . . . ?
C13C Co13 C13A 98.3(4) . . . ?
C13C Co13 C13B 101.0(4) . . . ?
C13A Co13 C13B 106.2(4) . . . ?
C13C Co13 C163 99.4(3) . . . ?
C13A Co13 C163 141.7(3) . . . ?
C13B Co13 C163 103.3(3) . . . ?
C13C Co13 C164 100.7(4) . . . ?
C13A Co13 C164 103.6(3) . . . ?
C13B Co13 C164 139.8(3) . . . ?
C163 Co13 C164 39.7(3) . . . ?
C13C Co13 Co14 148.1(3) . . . ?
C13A Co13 Co14 101.9(3) . . . ?
C13B Co13 Co14 96.7(3) . . . ?
C163 Co13 Co14 50.3(2) . . . ?
C164 Co13 Co14 50.6(2) . . . ?
C14A Co14 C14B 99.2(4) . . . ?
C14A Co14 C14C 102.7(4) . . . ?
C14B Co14 C14C 107.8(4) . . . ?
C14A Co14 C163 98.1(4) . . . ?
C14B Co14 C163 102.7(3) . . . ?
C14C Co14 C163 139.4(3) . . . ?
C14A Co14 C164 98.8(4) . . . ?
C14B Co14 C164 140.7(3) . . . ?
C14C Co14 C164 101.9(3) . . . ?
C163 Co14 C164 40.1(3) . . . ?
C14A Co14 Co13 147.1(3) . . . ?
C14B Co14 Co13 99.1(3) . . . ?
C14C Co14 Co13 97.3(3) . . . ?
C163 Co14 Co13 51.2(2) . . . ?
C164 Co14 Co13 51.2(2) . . . ?
C21A Co21 C21B 98.6(4) . . . ?
C21A Co21 C21C 101.1(4) . . . ?
C21B Co21 C21C 106.3(4) . . . ?
C21A Co21 C244 97.6(4) . . . ?
C21B Co21 C244 105.9(3) . . . ?
C21C Co21 C244 139.6(4) . . . ?
C21A Co21 C243 102.2(3) . . . ?
C21B Co21 C243 141.1(3) . . . ?
C21C Co21 C243 101.5(3) . . . ?
C244 Co21 C243 39.1(3) . . . ?
C21A Co21 Co22 147.1(3) . . . ?
C21B Co21 Co22 96.9(3) . . . ?
C21C Co21 Co22 102.2(3) . . . ?
C244 Co21 Co22 50.1(2) . . . ?
C243 Co21 Co22 50.3(2) . . . ?
C22A Co22 C22B 101.6(5) . . . ?
C22A Co22 C22C 100.7(4) . . . ?
C22B Co22 C22C 105.5(4) . . . ?
C22A Co22 C244 98.0(5) . . . ?
C22B Co22 C244 141.8(4) . . . ?
C22C Co22 C244 102.7(4) . . . ?
C22A Co22 C243 96.5(4) . . . ?
C22B Co22 C243 105.3(4) . . . ?
C22C Co22 C243 140.7(4) . . . ?
C244 Co22 C243 39.5(3) . . . ?
C22A Co22 Co21 145.6(4) . . . ?
C22B Co22 Co21 98.8(3) . . . ?
C22C Co22 Co21 100.3(3) . . . ?
C244 Co22 Co21 50.7(2) . . . ?
C243 Co22 Co21 51.1(2) . . . ?
C23A Co23 C23B 100.8(4) . . . ?
C23A Co23 C23C 100.3(4) . . . ?
C23B Co23 C23C 105.7(4) . . . ?
C23A Co23 C263 101.1(3) . . . ?
C23B Co23 C263 103.4(3) . . . ?
C23C Co23 C263 139.6(3) . . . ?
C23A Co23 C264 97.4(4) . . . ?
C23B Co23 C264 142.2(3) . . . ?
C23C Co23 C264 103.2(3) . . . ?
C263 Co23 C264 40.1(3) . . . ?
C23A Co23 Co24 147.1(3) . . . ?
C23B Co23 Co24 102.7(3) . . . ?
C23C Co23 Co24 95.2(3) . . . ?
C263 Co23 Co24 51.0(2) . . . ?
C264 Co23 Co24 50.5(2) . . . ?
C24B Co24 C24C 106.3(4) . . . ?
C24B Co24 C24A 97.6(4) . . . ?
C24C Co24 C24A 99.5(4) . . . ?
C24B Co24 C264 142.1(3) . . . ?
C24C Co24 C264 99.6(4) . . . ?
C24A Co24 C264 104.9(3) . . . ?
C24B Co24 C263 107.8(3) . . . ?
C24C Co24 C263 138.9(4) . . . ?
C24A Co24 C263 98.1(3) . . . ?
C264 Co24 C263 39.7(3) . . . ?
C24B Co24 Co23 96.0(3) . . . ?
C24C Co24 Co23 104.5(3) . . . ?
C24A Co24 Co23 147.8(2) . . . ?
C264 Co24 Co23 50.3(2) . . . ?
C263 Co24 Co23 49.8(2) . . . ?
C31A Co31 C31B 102.0(4) . . . ?
C31A Co31 C31C 99.0(4) . . . ?
C31B Co31 C31C 105.5(4) . . . ?
C31A Co31 C344 96.2(4) . . . ?
C31B Co31 C344 140.6(3) . . . ?
C31C Co31 C344 105.8(3) . . . ?
C31A Co31 C343 101.5(4) . . . ?
C31B Co31 C343 101.7(3) . . . ?
C31C Co31 C343 141.5(4) . . . ?
C344 Co31 C343 40.0(3) . . . ?
C31A Co31 Co32 146.5(3) . . . ?
C31B Co31 Co32 102.2(3) . . . ?
C31C Co31 Co32 96.5(3) . . . ?
C344 Co31 Co32 50.8(2) . . . ?
C343 Co31 Co32 50.8(2) . . . ?
C32B Co32 C32A 101.4(4) . . . ?
C32B Co32 C32C 100.9(4) . . . ?
C32A Co32 C32C 105.5(4) . . . ?
C32B Co32 C343 97.9(4) . . . ?
C32A Co32 C343 104.8(3) . . . ?
C32C Co32 C343 140.1(3) . . . ?
C32B Co32 C344 100.3(4) . . . ?
C32A Co32 C344 141.0(3) . . . ?
C32C Co32 C344 101.7(3) . . . ?
C343 Co32 C344 39.9(3) . . . ?
C32B Co32 Co31 147.2(3) . . . ?
C32A Co32 Co31 96.8(3) . . . ?
C32C Co32 Co31 100.2(3) . . . ?
C343 Co32 Co31 50.7(2) . . . ?
C344 Co32 Co31 50.7(2) . . . ?
C33A Co33 C33B 97.9(4) . . . ?
C33A Co33 C33C 100.9(4) . . . ?
C33B Co33 C33C 106.2(4) . . . ?
C33A Co33 C364 102.6(4) . . . ?
C33B Co33 C364 102.6(3) . . . ?
C33C Co33 C364 139.5(3) . . . ?
C33A Co33 C363 102.9(4) . . . ?
C33B Co33 C363 140.6(3) . . . ?
C33C Co33 C363 102.2(3) . . . ?
C364 Co33 C363 40.4(3) . . . ?
C33A Co33 Co34 150.6(3) . . . ?
C33B Co33 Co34 99.2(3) . . . ?
C33C Co33 Co34 97.0(2) . . . ?
C364 Co33 Co34 50.3(2) . . . ?
C363 Co33 Co34 50.2(2) . . . ?
C34A Co34 C34C 101.9(5) . . . ?
C34A Co34 C34B 98.8(4) . . . ?
C34C Co34 C34B 107.0(5) . . . ?
C34A Co34 C363 101.9(4) . . . ?
C34C Co34 C363 99.4(3) . . . ?
C34B Co34 C363 142.1(4) . . . ?
C34A Co34 C364 96.7(4) . . . ?
C34C Co34 C364 139.2(4) . . . ?
C34B Co34 C364 105.6(4) . . . ?
C363 Co34 C364 40.8(3) . . . ?
C34A Co34 Co33 147.0(4) . . . ?
C34C Co34 Co33 101.4(3) . . . ?
C34B Co34 Co33 96.4(3) . . . ?
C363 Co34 Co33 51.1(2) . . . ?
C364 Co34 Co33 50.8(2) . . . ?
C41A Co41 C41C 94.9(5) . . . ?
C41A Co41 C41B 100.2(4) . . . ?
C41C Co41 C41B 108.0(4) . . . ?
C41A Co41 C444 100.7(4) . . . ?
C41C Co41 C444 101.3(4) . . . ?
C41B Co41 C444 142.1(4) . . . ?
C41A Co41 C443 101.7(4) . . . ?
C41C Co41 C443 139.5(4) . . . ?
C41B Co41 C443 105.0(4) . . . ?
C444 Co41 C443 39.6(3) . . . ?
C41A Co41 Co42 149.8(3) . . . ?
C41C Co41 Co42 99.7(3) . . . ?
C41B Co41 Co42 100.0(3) . . . ?
C444 Co41 Co42 50.7(2) . . . ?
C443 Co41 Co42 51.3(2) . . . ?
C42C Co42 C42A 99.2(4) . . . ?
C42C Co42 C42B 102.1(4) . . . ?
C42A Co42 C42B 104.7(4) . . . ?
C42C Co42 C444 97.9(4) . . . ?
C42A Co42 C444 104.9(4) . . . ?
C42B Co42 C444 140.8(3) . . . ?
C42C Co42 C443 100.3(4) . . . ?
C42A Co42 C443 141.3(4) . . . ?
C42B Co42 C443 103.4(3) . . . ?
C444 Co42 C443 39.4(3) . . . ?
C42C Co42 Co41 147.1(3) . . . ?
C42A Co42 Co41 97.8(3) . . . ?
C42B Co42 Co41 100.5(3) . . . ?
C444 Co42 Co41 50.4(2) . . . ?
C443 Co42 Co41 51.0(2) . . . ?
C43B Co43 C43C 96.6(4) . . . ?
C43B Co43 C43A 106.8(4) . . . ?
C43C Co43 C43A 100.9(4) . . . ?
C43B Co43 C464 94.2(4) . . . ?
C43C Co43 C464 107.0(3) . . . ?
C43A Co43 C464 142.7(3) . . . ?
C43B Co43 C463 102.9(4) . . . ?
C43C Co43 C463 142.6(4) . . . ?
C43A Co43 C463 103.4(3) . . . ?
C464 Co43 C463 40.7(3) . . . ?
C43B Co43 Co44 145.0(3) . . . ?
C43C Co43 Co44 96.4(3) . . . ?
C43A Co43 Co44 102.4(3) . . . ?
C464 Co43 Co44 50.8(2) . . . ?
C463 Co43 Co44 50.9(2) . . . ?
C44B Co44 C44A 107.6(5) . . . ?
C44B Co44 C44C 99.6(4) . . . ?
C44A Co44 C44C 103.2(4) . . . ?
C44B Co44 C464 106.2(4) . . . ?
C44A Co44 C464 136.5(4) . . . ?
C44C Co44 C464 97.2(3) . . . ?
C44B Co44 C463 144.3(4) . . . ?
C44A Co44 C463 98.1(4) . . . ?
C44C Co44 C463 98.2(3) . . . ?
C464 Co44 C463 40.6(3) . . . ?
C44B Co44 Co43 100.6(3) . . . ?
C44A Co44 Co43 96.6(3) . . . ?
C44C Co44 Co43 145.8(3) . . . ?
C464 Co44 Co43 50.6(2) . . . ?
C463 Co44 Co43 51.0(2) . . . ?
C142 O141 C14 122.2(7) . . . ?
C16 O161 C162 116.0(5) . . . ?
C24 O241 C242 117.5(5) . . . ?
C26 O261 C262 117.7(5) . . . ?
C34 O341 C342 116.0(5) . . . ?
C36 O361 C362 115.7(5) . . . ?
C44 O441 C442 118.1(5) . . . ?
C46 O461 C462 116.1(5) . . . ?
C16 C11 C12 116.9(6) . . . ?
C16 C11 C17 121.4(5) . . . ?
C12 C11 C17 121.7(5) . . . ?
C11 C12 C13 124.1(6) . . . ?
C11 C12 H12 118.00 . . . ?
C13 C12 H12 118.00 . . . ?
C12 C13 C14 116.3(6) . . . ?
C12 C13 C47 123.5(6) . . . ?
C14 C13 C47 120.1(6) . . . ?
O141 C14 C13 117.5(6) . . . ?
O141 C14 C15 122.2(6) . . . ?
C13 C14 C15 120.4(7) . . . ?
C16 C15 C14 120.0(6) . . . ?
C16 C15 H15 120.00 . . . ?
C14 C15 H15 120.00 . . . ?
C15 C16 C11 122.2(6) . . . ?
C15 C16 O161 121.9(6) . . . ?
C11 C16 O161 115.9(6) . . . ?
C11 C17 C21 113.2(5) . . . ?
C11 C17 C18 110.7(6) . . . ?
C21 C17 C18 112.6(5) . . . ?
C11 C17 H17 106.60 . . . ?
C21 C17 H17 106.60 . . . ?
C18 C17 H17 106.60 . . . ?
C17 C18 H18A 109.50 . . . ?
C17 C18 H18B 109.50 . . . ?
H18A C18 H18B 109.50 . . . ?
C17 C18 H18C 109.50 . . . ?
H18A C18 H18C 109.50 . . . ?
H18B C18 H18C 109.50 . . . ?
C26 C21 C22 117.6(6) . . . ?
C26 C21 C17 119.4(6) . . . ?
C22 C21 C17 123.1(6) . . . ?
C23 C22 C21 123.1(6) . . . ?
C23 C22 H22 118.40 . . . ?
C21 C22 H22 118.40 . . . ?
C22 C23 C24 117.3(6) . . . ?
C22 C23 C27 124.5(6) . . . ?
C24 C23 C27 118.2(6) . . . ?
C23 C24 O241 115.9(6) . . . ?
C23 C24 C25 122.4(6) . . . ?
O241 C24 C25 121.6(7) . . . ?
C24 C25 C26 117.2(6) . . . ?
C24 C25 H25 121.40 . . . ?
C26 C25 H25 121.40 . . . ?
C21 C26 O261 118.5(6) . . . ?
C21 C26 C25 122.1(6) . . . ?
O261 C26 C25 119.0(6) . . . ?
C31 C27 C28 110.2(6) . . . ?
C31 C27 C23 111.2(5) . . . ?
C28 C27 C23 112.6(6) . . . ?
C31 C27 H27 107.50 . . . ?
C28 C27 H27 107.50 . . . ?
C23 C27 H27 107.50 . . . ?
C27 C28 H28A 109.50 . . . ?
C27 C28 H28B 109.50 . . . ?
H28A C28 H28B 109.50 . . . ?
C27 C28 H28C 109.50 . . . ?
H28A C28 H28C 109.50 . . . ?
H28B C28 H28C 109.50 . . . ?
C32 C31 C36 118.3(6) . . . ?
C32 C31 C27 121.7(6) . . . ?
C36 C31 C27 120.0(6) . . . ?
C31 C32 C33 122.9(6) . . . ?
C31 C32 H32 118.60 . . . ?
C33 C32 H32 118.60 . . . ?
C32 C33 C34 118.0(6) . . . ?
C32 C33 C37 121.5(6) . . . ?
C34 C33 C37 120.4(6) . . . ?
C35 C34 O341 124.4(6) . . . ?
C35 C34 C33 120.4(6) . . . ?
O341 C34 C33 115.2(6) . . . ?
C34 C35 C36 120.1(6) . . . ?
C34 C35 H35 120.00 . . . ?
C36 C35 H35 120.00 . . . ?
O361 C36 C31 120.4(6) . . . ?
O361 C36 C35 119.0(5) . . . ?
C31 C36 C35 120.3(6) . . . ?
C38 C37 C41 114.3(6) . . . ?
C38 C37 C33 108.9(6) . . . ?
C41 C37 C33 111.2(5) . . . ?
C38 C37 H37 107.40 . . . ?
C41 C37 H37 107.40 . . . ?
C33 C37 H37 107.40 . . . ?
C37 C38 H38A 109.50 . . . ?
C37 C38 H38B 109.50 . . . ?
H38A C38 H38B 109.50 . . . ?
C37 C38 H38C 109.50 . . . ?
H38A C38 H38C 109.50 . . . ?
H38B C38 H38C 109.50 . . . ?
C42 C41 C46 116.2(6) . . . ?
C42 C41 C37 123.5(6) . . . ?
C46 C41 C37 120.2(6) . . . ?
C43 C42 C41 124.4(7) . . . ?
C43 C42 H42 117.80 . . . ?
C41 C42 H42 117.80 . . . ?
C42 C43 C44 117.3(6) . . . ?
C42 C43 C47 122.6(7) . . . ?
C44 C43 C47 120.0(6) . . . ?
O441 C44 C45 123.6(7) . . . ?
O441 C44 C43 116.0(6) . . . ?
C45 C44 C43 120.3(6) . . . ?
C46 C45 C44 119.9(7) . . . ?
C46 C45 H45 120.00 . . . ?
C44 C45 H45 120.00 . . . ?
C45 C46 O461 119.3(6) . . . ?
C45 C46 C41 121.5(6) . . . ?
O461 C46 C41 118.7(6) . . . ?
C13 C47 C48 110.8(6) . . . ?
C13 C47 C43 111.8(5) . . . ?
C48 C47 C43 111.9(6) . . . ?
C13 C47 H47 107.40 . . . ?
C48 C47 H47 107.40 . . . ?
C43 C47 H47 107.40 . . . ?
C47 C48 H48A 109.50 . . . ?
C47 C48 H48B 109.50 . . . ?
H48A C48 H48B 109.50 . . . ?
C47 C48 H48C 109.50 . . . ?
H48A C48 H48C 109.50 . . . ?
H48B C48 H48C 109.50 . . . ?
O11A C11A Co11 174.6(9) . . . ?
O11B C11B Co11 177.2(14) . . . ?
O11C C11C Co11 175.3(9) . . . ?
O12A C12A Co12 177.6(9) . . . ?
O12B C12B Co12 174.2(14) . . . ?
O12C C12C Co12 177(2) . . . ?
O13A C13A Co13 177.0(9) . . . ?
O13B C13B Co13 178.2(8) . . . ?
O13C C13C Co13 177.8(9) . . . ?
O141 C142 C143 115.6(9) . . . ?
O141 C142 H14A 108.40 . . . ?
C143 C142 H14A 108.40 . . . ?
O141 C142 H14B 108.40 . . . ?
C143 C142 H14B 108.40 . . . ?
H14A C142 H14B 107.40 . . . ?
C144 C143 C142 144.7(11) . . . ?
C144 C143 Co12 70.8(5) . . . ?
C142 C143 Co12 134.4(9) . . . ?
C144 C143 Co11 69.0(6) . . . ?
C142 C143 Co11 131.3(6) . . . ?
Co12 C143 Co11 78.6(3) . . . ?
C143 C144 Co11 71.3(6) . . . ?
C143 C144 Co12 69.5(5) . . . ?
Co11 C144 Co12 78.9(3) . . . ?
C143 C144 H144 136.30 . . . ?
Co11 C144 H144 136.30 . . . ?
Co12 C144 H144 136.30 . . . ?
O14A C14A Co14 179.0(9) . . . ?
O14B C14B Co14 178.6(8) . . . ?
O14C C14C Co14 176.3(8) . . . ?
O161 C162 C163 109.0(5) . . . ?
O161 C162 H16A 109.90 . . . ?
C163 C162 H16A 109.90 . . . ?
O161 C162 H16B 109.90 . . . ?
C163 C162 H16B 109.90 . . . ?
H16A C162 H16B 108.30 . . . ?
C164 C163 C162 139.3(7) . . . ?
C164 C163 Co14 70.4(4) . . . ?
C162 C163 Co14 136.8(6) . . . ?
C164 C163 Co13 70.3(4) . . . ?
C162 C163 Co13 133.6(5) . . . ?
Co14 C163 Co13 78.5(3) . . . ?
C163 C164 Co14 69.5(5) . . . ?
C163 C164 Co13 70.0(4) . . . ?
Co14 C164 Co13 78.2(3) . . . ?
C163 C164 H164 136.70 . . . ?
Co14 C164 H164 136.70 . . . ?
Co13 C164 H164 136.70 . . . ?
O21A C21A Co21 179.0(8) . . . ?
O21B C21B Co21 179.8(8) . . . ?
O21C C21C Co21 176.4(8) . . . ?
O22A C22A Co22 174.1(13) . . . ?
O22B C22B Co22 177.2(10) . . . ?
O22C C22C Co22 177.1(8) . . . ?
O23A C23A Co23 178.1(9) . . . ?
O23B C23B Co23 178.7(8) . . . ?
O23C C23C Co23 175.7(8) . . . ?
O241 C242 C243 113.8(6) . . . ?
O241 C242 H24A 108.80 . . . ?
C243 C242 H24A 108.80 . . . ?
O241 C242 H24B 108.80 . . . ?
C243 C242 H24B 108.80 . . . ?
H24A C242 H24B 107.70 . . . ?
C244 C243 C242 144.0(7) . . . ?
C244 C243 Co22 69.8(5) . . . ?
C242 C243 Co22 131.8(5) . . . ?
C244 C243 Co21 69.8(5) . . . ?
C242 C243 Co21 134.8(5) . . . ?
Co22 C243 Co21 78.6(3) . . . ?
C243 C244 Co22 70.6(5) . . . ?
C243 C244 Co21 71.1(5) . . . ?
Co22 C244 Co21 79.2(3) . . . ?
C243 C244 H244 136.00 . . . ?
Co22 C244 H244 136.00 . . . ?
Co21 C244 H244 136.00 . . . ?
O24A C24A Co24 178.6(7) . . . ?
O24B C24B Co24 179.7(10) . . . ?
O24C C24C Co24 176.9(9) . . . ?
O261 C262 C263 106.2(5) . . . ?
O261 C262 H26A 110.50 . . . ?
C263 C262 H26A 110.50 . . . ?
O261 C262 H26B 110.50 . . . ?
C263 C262 H26B 110.50 . . . ?
H26A C262 H26B 108.70 . . . ?
C264 C263 C262 137.1(7) . . . ?
C264 C263 Co23 70.4(4) . . . ?
C262 C263 Co23 140.7(5) . . . ?
C264 C263 Co24 69.6(4) . . . ?
C262 C263 Co24 131.2(5) . . . ?
Co23 C263 Co24 79.2(2) . . . ?
C263 C264 Co23 69.4(4) . . . ?
C263 C264 Co24 70.7(5) . . . ?
Co23 C264 Co24 79.2(3) . . . ?
C263 C264 H264 136.40 . . . ?
Co23 C264 H264 136.40 . . . ?
Co24 C264 H264 136.40 . . . ?
O31A C31A Co31 177.4(9) . . . ?
O31B C31B Co31 178.7(8) . . . ?
O31C C31C Co31 178.6(9) . . . ?
O32A C32A Co32 176.9(8) . . . ?
O32B C32B Co32 176.9(10) . . . ?
O32C C32C Co32 178.7(9) . . . ?
O33A C33A Co33 177.2(9) . . . ?
O33B C33B Co33 177.6(7) . . . ?
O33C C33C Co33 176.8(8) . . . ?
O341 C342 C343 107.8(5) . . . ?
O341 C342 H34A 110.20 . . . ?
C343 C342 H34A 110.20 . . . ?
O341 C342 H34B 110.20 . . . ?
C343 C342 H34B 110.20 . . . ?
H34A C342 H34B 108.50 . . . ?
C344 C343 C342 139.9(7) . . . ?
C344 C343 Co31 70.0(5) . . . ?
C342 C343 Co31 136.4(5) . . . ?
C344 C343 Co32 70.1(5) . . . ?
C342 C343 Co32 133.8(6) . . . ?
Co31 C343 Co32 78.5(3) . . . ?
C343 C344 Co31 70.0(5) . . . ?
C343 C344 Co32 70.0(5) . . . ?
Co31 C344 Co32 78.5(3) . . . ?
C343 C344 H344 136.60 . . . ?
Co31 C344 H344 136.60 . . . ?
Co32 C344 H344 136.60 . . . ?
O34A C34A Co34 177.4(11) . . . ?
O34B C34B Co34 177.6(8) . . . ?
O34C C34C Co34 178.4(8) . . . ?
O361 C362 C363 107.9(6) . . . ?
O361 C362 H36A 110.10 . . . ?
C363 C362 H36A 110.10 . . . ?
O361 C362 H36B 110.10 . . . ?
C363 C362 H36B 110.10 . . . ?
H36A C362 H36B 108.40 . . . ?
C364 C363 C362 145.8(7) . . . ?
C364 C363 Co34 69.7(4) . . . ?
C362 C363 Co34 131.8(5) . . . ?
C364 C363 Co33 69.4(5) . . . ?
C362 C363 Co33 133.3(5) . . . ?
Co34 C363 Co33 78.7(3) . . . ?
C363 C364 Co34 69.5(4) . . . ?
C363 C364 Co33 70.2(5) . . . ?
Co34 C364 Co33 78.9(3) . . . ?
C363 C364 H364 136.50 . . . ?
Co34 C364 H364 136.50 . . . ?
Co33 C364 H364 136.50 . . . ?
O41A C41A Co41 178.8(12) . . . ?
O41B C41B Co41 176.9(9) . . . ?
O41C C41C Co41 177.1(10) . . . ?
O42A C42A Co42 177.5(9) . . . ?
O42B C42B Co42 177.4(8) . . . ?
O42C C42C Co42 177.2(9) . . . ?
O43A C43A Co43 177.8(8) . . . ?
O43B C43B Co43 173.5(8) . . . ?
O43C C43C Co43 178.7(8) . . . ?
O441 C442 C443 114.1(6) . . . ?
O441 C442 H44A 108.70 . . . ?
C443 C442 H44A 108.70 . . . ?
O441 C442 H44B 108.70 . . . ?
C443 C442 H44B 108.70 . . . ?
H44A C442 H44B 107.60 . . . ?
C444 C443 C442 143.6(7) . . . ?
C444 C443 Co41 69.2(5) . . . ?
C442 C443 Co41 132.9(5) . . . ?
C444 C443 Co42 69.3(5) . . . ?
C442 C443 Co42 135.5(6) . . . ?
Co41 C443 Co42 77.7(3) . . . ?
C443 C444 Co41 71.2(5) . . . ?
C443 C444 Co42 71.3(5) . . . ?
Co41 C444 Co42 78.9(3) . . . ?
C443 C444 H444 136.00 . . . ?
Co41 C444 H444 136.00 . . . ?
Co42 C444 H444 136.00 . . . ?
O44A C44A Co44 174.8(10) . . . ?
O44B C44B Co44 178.8(9) . . . ?
O44C C44C Co44 178.2(7) . . . ?
O461 C462 C463 105.4(6) . . . ?
O461 C462 H46A 110.70 . . . ?
C463 C462 H46A 110.70 . . . ?
O461 C462 H46B 110.70 . . . ?
C463 C462 H46B 110.70 . . . ?
H46A C462 H46B 108.80 . . . ?
C464 C463 C462 139.3(7) . . . ?
C464 C463 Co44 69.5(5) . . . ?
C462 C463 Co44 130.0(5) . . . ?
C464 C463 Co43 69.0(4) . . . ?
C462 C463 Co43 141.5(6) . . . ?
Co44 C463 Co43 78.1(3) . . . ?
C463 C464 Co43 70.3(4) . . . ?
C463 C464 Co44 69.9(4) . . . ?
Co43 C464 Co44 78.6(3) . . . ?
C463 C464 H464 136.50 . . . ?
Co43 C464 H464 136.50 . . . ?
Co44 C464 H464 136.50 . . . ?
C912 C911 C916 113.9(16) . . . ?
C912 C911 H911 123.00 . . . ?
C916 C911 H911 123.00 . . . ?
C913 C912 C911 121.7(15) . . . ?
C913 C912 H912 119.20 . . . ?
C911 C912 H912 119.20 . . . ?
C914 C913 C912 118(2) . . . ?
C914 C913 H913 120.90 . . . ?
C912 C913 H913 120.90 . . . ?
C913 C914 C915 129(3) . . . ?
C913 C914 H914 115.40 . . . ?
C915 C914 H914 115.40 . . . ?
C916 C915 C914 108.4(19) . . . ?
C916 C915 H915 125.80 . . . ?
C914 C915 H915 125.80 . . . ?
C915 C916 C911 128(2) . . . ?
C915 C916 H916 115.80 . . . ?
C911 C916 H916 115.80 . . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co11 C11B 1.730(12) . . ?
Co11 C11A 1.772(11) . . ?
Co11 C11C 1.784(13) . . ?
Co11 C144 1.935(10) . . ?
Co11 C143 1.962(9) . . ?
Co11 Co12 2.4732(18) . . ?
Co12 C12A 1.803(12) . . ?
Co12 C12C 1.815(16) . . ?
Co12 C12B 1.841(14) . . ?
Co12 C143 1.943(8) . . ?
Co12 C144 1.959(8) . . ?
Co13 C13C 1.765(11) . . ?
Co13 C13A 1.798(9) . . ?
Co13 C13B 1.824(9) . . ?
Co13 C163 1.959(7) . . ?
Co13 C164 1.963(7) . . ?
Co13 Co14 2.4646(15) . . ?
Co14 C14A 1.800(12) . . ?
Co14 C14B 1.811(9) . . ?
Co14 C14C 1.813(10) . . ?
Co14 C163 1.936(7) . . ?
Co14 C164 1.946(8) . . ?
Co21 C21A 1.780(11) . . ?
Co21 C21B 1.797(9) . . ?
Co21 C21C 1.801(10) . . ?
Co21 C244 1.954(8) . . ?
Co21 C243 1.969(7) . . ?
Co21 Co22 2.4812(15) . . ?
Co22 C22A 1.799(13) . . ?
Co22 C22B 1.839(12) . . ?
Co22 C22C 1.848(10) . . ?
Co22 C244 1.937(8) . . ?
Co22 C243 1.947(7) . . ?
Co23 C23A 1.806(11) . . ?
Co23 C23B 1.814(10) . . ?
Co23 C23C 1.824(9) . . ?
Co23 C263 1.932(7) . . ?
Co23 C264 1.944(8) . . ?
Co23 Co24 2.4838(14) . . ?
Co24 C24B 1.805(11) . . ?
Co24 C24C 1.811(8) . . ?
Co24 C24A 1.832(11) . . ?
Co24 C264 1.952(8) . . ?
Co24 C263 1.966(7) . . ?
Co31 C31A 1.832(11) . . ?
Co31 C31B 1.840(9) . . ?
Co31 C31C 1.842(9) . . ?
Co31 C344 1.945(8) . . ?
Co31 C343 1.946(8) . . ?
Co31 Co32 2.4640(15) . . ?
Co32 C32B 1.787(11) . . ?
Co32 C32A 1.809(9) . . ?
Co32 C32C 1.832(9) . . ?
Co32 C343 1.949(8) . . ?
Co32 C344 1.950(8) . . ?
Co33 C33A 1.779(11) . . ?
Co33 C33B 1.801(10) . . ?
Co33 C33C 1.829(10) . . ?
Co33 C364 1.947(8) . . ?
Co33 C363 1.957(7) . . ?
Co33 Co34 2.4645(15) . . ?
Co34 C34A 1.781(11) . . ?
Co34 C34C 1.798(13) . . ?
Co34 C34B 1.804(10) . . ?
Co34 C363 1.930(7) . . ?
Co34 C364 1.932(8) . . ?
Co41 C41A 1.772(12) . . ?
Co41 C41C 1.807(10) . . ?
Co41 C41B 1.820(9) . . ?
Co41 C444 1.931(8) . . ?
Co41 C443 1.956(8) . . ?
Co41 Co42 2.4609(15) . . ?
Co42 C42C 1.791(12) . . ?
Co42 C42A 1.801(10) . . ?
Co42 C42B 1.806(9) . . ?
Co42 C444 1.941(8) . . ?
Co42 C443 1.966(7) . . ?
Co43 C43B 1.785(11) . . ?
Co43 C43C 1.819(9) . . ?
Co43 C43A 1.829(11) . . ?
Co43 C464 1.944(8) . . ?
Co43 C463 1.961(7) . . ?
Co43 Co44 2.4669(15) . . ?
Co44 C44B 1.790(10) . . ?
Co44 C44A 1.792(11) . . ?
Co44 C44C 1.820(11) . . ?
Co44 C464 1.951(8) . . ?
Co44 C463 1.957(8) . . ?
O11A C11A 1.154(10) . . ?
O11B C11B 1.191(13) . . ?
O11C C11C 1.147(12) . . ?
O12A C12A 1.121(11) . . ?
O12B C12B 1.064(13) . . ?
O12C C12C 1.141(17) . . ?
O13A C13A 1.126(9) . . ?
O13B C13B 1.135(9) . . ?
O13C C13C 1.160(10) . . ?
O141 C142 1.288(10) . . ?
O141 C14 1.391(9) . . ?
O14A C14A 1.129(11) . . ?
O14B C14B 1.132(9) . . ?
O14C C14C 1.154(9) . . ?
O161 C16 1.391(7) . . ?
O161 C162 1.438(8) . . ?
O21A C21A 1.159(10) . . ?
O21B C21B 1.159(9) . . ?
O21C C21C 1.140(10) . . ?
O22A C22A 1.133(13) . . ?
O22B C22B 1.113(11) . . ?
O22C C22C 1.115(9) . . ?
O23A C23A 1.134(10) . . ?
O23B C23B 1.130(10) . . ?
O23C C23C 1.136(9) . . ?
O241 C24 1.395(8) . . ?
O241 C242 1.433(8) . . ?
O24A C24A 1.135(10) . . ?
O24B C24B 1.138(10) . . ?
O24C C24C 1.127(9) . . ?
O261 C26 1.390(7) . . ?
O261 C262 1.405(8) . . ?
O31A C31A 1.089(10) . . ?
O31B C31B 1.120(9) . . ?
O31C C31C 1.097(9) . . ?
O32A C32A 1.135(9) . . ?
O32B C32B 1.144(11) . . ?
O32C C32C 1.118(9) . . ?
O33A C33A 1.163(10) . . ?
O33B C33B 1.149(10) . . ?
O33C C33C 1.117(9) . . ?
O341 C34 1.373(8) . . ?
O341 C342 1.405(8) . . ?
O34A C34A 1.148(11) . . ?
O34B C34B 1.135(10) . . ?
O34C C34C 1.135(11) . . ?
O361 C36 1.373(8) . . ?
O361 C362 1.410(9) . . ?
O41A C41A 1.121(11) . . ?
O41B C41B 1.121(9) . . ?
O41C C41C 1.120(10) . . ?
O42A C42A 1.149(10) . . ?
O42B C42B 1.134(9) . . ?
O42C C42C 1.156(11) . . ?
O43A C43A 1.136(10) . . ?
O43B C43B 1.153(10) . . ?
O43C C43C 1.115(9) . . ?
O441 C44 1.384(8) . . ?
O441 C442 1.421(9) . . ?
O44A C44A 1.170(10) . . ?
O44B C44B 1.154(10) . . ?
O44C C44C 1.127(10) . . ?
O461 C46 1.394(8) . . ?
O461 C462 1.434(8) . . ?
C11 C16 1.385(9) . . ?
C11 C12 1.393(9) . . ?
C11 C17 1.516(9) . . ?
C12 C13 1.393(9) . . ?
C12 H12 0.9500 . . ?
C13 C14 1.403(9) . . ?
C13 C47 1.519(9) . . ?
C14 C15 1.415(10) . . ?
C15 C16 1.351(9) . . ?
C15 H15 0.9500 . . ?
C17 C21 1.531(9) . . ?
C17 C18 1.531(10) . . ?
C17 H17 1.0000 . . ?
C18 H18A 0.9800 . . ?
C18 H18B 0.9800 . . ?
C18 H18C 0.9800 . . ?
C21 C26 1.376(9) . . ?
C21 C22 1.399(9) . . ?
C22 C23 1.371(9) . . ?
C22 H22 0.9500 . . ?
C23 C24 1.390(10) . . ?
C23 C27 1.526(9) . . ?
C24 C25 1.398(9) . . ?
C25 C26 1.402(9) . . ?
C25 H25 0.9500 . . ?
C27 C31 1.504(9) . . ?
C27 C28 1.516(10) . . ?
C27 H27 1.0000 . . ?
C28 H28A 0.9800 . . ?
C28 H28B 0.9800 . . ?
C28 H28C 0.9800 . . ?
C31 C32 1.378(9) . . ?
C31 C36 1.383(9) . . ?
C32 C33 1.400(9) . . ?
C32 H32 0.9500 . . ?
C33 C34 1.420(9) . . ?
C33 C37 1.533(9) . . ?
C34 C35 1.352(10) . . ?
C35 C36 1.443(9) . . ?
C35 H35 0.9500 . . ?
C37 C38 1.511(10) . . ?
C37 C41 1.523(9) . . ?
C37 H37 1.0000 . . ?
C38 H38A 0.9800 . . ?
C38 H38B 0.9800 . . ?
C38 H38C 0.9800 . . ?
C41 C42 1.392(9) . . ?
C41 C46 1.401(10) . . ?
C42 C43 1.369(9) . . ?
C42 H42 0.9500 . . ?
C43 C44 1.408(10) . . ?
C43 C47 1.521(9) . . ?
C44 C45 1.388(10) . . ?
C45 C46 1.380(9) . . ?
C45 H45 0.9500 . . ?
C47 C48 1.521(10) . . ?
C47 H47 1.0000 . . ?
C48 H48A 0.9800 . . ?
C48 H48B 0.9800 . . ?
C48 H48C 0.9800 . . ?
C142 C143 1.442(12) . . ?
C142 H14A 0.9900 . . ?
C142 H14B 0.9900 . . ?
C143 C144 1.324(11) . . ?
C144 H144 1.0000 . . ?
C162 C163 1.488(9) . . ?
C162 H16A 0.9900 . . ?
C162 H16B 0.9900 . . ?
C163 C164 1.330(9) . . ?
C164 H164 1.0000 . . ?
C242 C243 1.485(10) . . ?
C242 H24A 0.9900 . . ?
C242 H24B 0.9900 . . ?
C243 C244 1.314(10) . . ?
C244 H244 1.0000 . . ?
C262 C263 1.506(9) . . ?
C262 H26A 0.9900 . . ?
C262 H26B 0.9900 . . ?
C263 C264 1.330(9) . . ?
C264 H264 1.0000 . . ?
C342 C343 1.514(10) . . ?
C342 H34A 0.9900 . . ?
C342 H34B 0.9900 . . ?
C343 C344 1.331(10) . . ?
C344 H344 1.0000 . . ?
C362 C363 1.479(10) . . ?
C362 H36A 0.9900 . . ?
C362 H36B 0.9900 . . ?
C363 C364 1.347(10) . . ?
C364 H364 1.0000 . . ?
C442 C443 1.509(10) . . ?
C442 H44A 0.9900 . . ?
C442 H44B 0.9900 . . ?
C443 C444 1.317(10) . . ?
C444 H444 1.0000 . . ?
C462 C463 1.498(10) . . ?
C462 H46A 0.9900 . . ?
C462 H46B 0.9900 . . ?
C463 C464 1.357(10) . . ?
C464 H464 1.0000 . . ?
C911 C912 1.390(18) . . ?
C911 C916 1.44(2) . . ?
C911 H911 0.9500 . . ?
C912 C913 1.358(18) . . ?
C912 H912 0.9500 . . ?
C913 C914 1.24(2) . . ?
C913 H913 0.9500 . . ?
C914 C915 1.48(4) . . ?
C914 H914 0.9500 . . ?
C915 C916 1.30(3) . . ?
C915 H915 0.9500 . . ?
C916 H916 0.9500 . . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C11B Co11 Co12 C12A 85.0(6) . . . . ?
C11A Co11 Co12 C12A -37.7(7) . . . . ?
C11C Co11 Co12 C12A -165.8(6) . . . . ?
C144 Co11 Co12 C12A -21.4(6) . . . . ?
C143 Co11 Co12 C12A -73.5(6) . . . . ?
C11B Co11 Co12 C12C -126.5(9) . . . . ?
C11A Co11 Co12 C12C 110.8(10) . . . . ?
C11C Co11 Co12 C12C -17.3(9) . . . . ?
C144 Co11 Co12 C12C 127.1(9) . . . . ?
C143 Co11 Co12 C12C 75.0(9) . . . . ?
C11B Co11 Co12 C12B -20.2(6) . . . . ?
C11A Co11 Co12 C12B -142.9(6) . . . . ?
C11C Co11 Co12 C12B 89.0(5) . . . . ?
C144 Co11 Co12 C12B -126.6(5) . . . . ?
C143 Co11 Co12 C12B -178.7(5) . . . . ?
C11B Co11 Co12 C143 158.5(5) . . . . ?
C11A Co11 Co12 C143 35.8(6) . . . . ?
C11C Co11 Co12 C143 -92.3(5) . . . . ?
C144 Co11 Co12 C143 52.1(4) . . . . ?
C11B Co11 Co12 C144 106.4(6) . . . . ?
C11A Co11 Co12 C144 -16.3(6) . . . . ?
C11C Co11 Co12 C144 -144.4(5) . . . . ?
C143 Co11 Co12 C144 -52.1(4) . . . . ?
C13C Co13 Co14 C14A 2.4(7) . . . . ?
C13A Co13 Co14 C14A -125.9(6) . . . . ?
C13B Co13 Co14 C14A 125.9(5) . . . . ?
C163 Co13 Co14 C14A 24.2(5) . . . . ?
C164 Co13 Co14 C14A -28.0(5) . . . . ?
C13C Co13 Co14 C14B -120.8(6) . . . . ?
C13A Co13 Co14 C14B 110.9(4) . . . . ?
C13B Co13 Co14 C14B 2.7(4) . . . . ?
C163 Co13 Co14 C14B -99.0(4) . . . . ?
C164 Co13 Co14 C14B -151.2(4) . . . . ?
C13C Co13 Co14 C14C 129.8(6) . . . . ?
C13A Co13 Co14 C14C 1.5(4) . . . . ?
C13B Co13 Co14 C14C -106.7(4) . . . . ?
C163 Co13 Co14 C14C 151.6(4) . . . . ?
C164 Co13 Co14 C14C 99.4(4) . . . . ?
C13C Co13 Co14 C163 -21.8(6) . . . . ?
C13A Co13 Co14 C163 -150.1(4) . . . . ?
C13B Co13 Co14 C163 101.7(4) . . . . ?
C164 Co13 Co14 C163 -52.2(4) . . . . ?
C13C Co13 Co14 C164 30.4(6) . . . . ?
C13A Co13 Co14 C164 -97.9(4) . . . . ?
C13B Co13 Co14 C164 153.9(4) . . . . ?
C163 Co13 Co14 C164 52.2(4) . . . . ?
C21A Co21 Co22 C22A -16.0(8) . . . . ?
C21B Co21 Co22 C22A -133.6(7) . . . . ?
C21C Co21 Co22 C22A 118.0(7) . . . . ?
C244 Co21 Co22 C22A -28.6(7) . . . . ?
C243 Co21 Co22 C22A 23.1(7) . . . . ?
C21A Co21 Co22 C22B -141.7(5) . . . . ?
C21B Co21 Co22 C22B 100.7(4) . . . . ?
C21C Co21 Co22 C22B -7.7(4) . . . . ?
C244 Co21 Co22 C22B -154.3(4) . . . . ?
C243 Co21 Co22 C22B -102.6(4) . . . . ?
C21A Co21 Co22 C22C 110.7(5) . . . . ?
C21B Co21 Co22 C22C -6.9(4) . . . . ?
C21C Co21 Co22 C22C -115.3(4) . . . . ?
C244 Co21 Co22 C22C 98.1(4) . . . . ?
C243 Co21 Co22 C22C 149.8(4) . . . . ?
C21A Co21 Co22 C244 12.6(5) . . . . ?
C21B Co21 Co22 C244 -105.0(4) . . . . ?
C21C Co21 Co22 C244 146.6(4) . . . . ?
C243 Co21 Co22 C244 51.7(4) . . . . ?
C21A Co21 Co22 C243 -39.1(5) . . . . ?
C21B Co21 Co22 C243 -156.7(4) . . . . ?
C21C Co21 Co22 C243 94.9(4) . . . . ?
C244 Co21 Co22 C243 -51.7(4) . . . . ?
C23A Co23 Co24 C24B 145.5(6) . . . . ?
C23B Co23 Co24 C24B 11.1(4) . . . . ?
C23C Co23 Co24 C24B -96.3(4) . . . . ?
C263 Co23 Co24 C24B 108.3(4) . . . . ?
C264 Co23 Co24 C24B 160.8(4) . . . . ?
C23A Co23 Co24 C24C -105.9(6) . . . . ?
C23B Co23 Co24 C24C 119.7(4) . . . . ?
C23C Co23 Co24 C24C 12.2(4) . . . . ?
C263 Co23 Co24 C24C -143.2(4) . . . . ?
C264 Co23 Co24 C24C -90.6(4) . . . . ?
C23A Co23 Co24 C24A 30.9(7) . . . . ?
C23B Co23 Co24 C24A -103.6(5) . . . . ?
C23C Co23 Co24 C24A 149.0(6) . . . . ?
C263 Co23 Co24 C24A -6.4(5) . . . . ?
C264 Co23 Co24 C24A 46.2(5) . . . . ?
C23A Co23 Co24 C264 -15.3(6) . . . . ?
C23B Co23 Co24 C264 -149.7(4) . . . . ?
C23C Co23 Co24 C264 102.8(4) . . . . ?
C263 Co23 Co24 C264 -52.6(4) . . . . ?
C23A Co23 Co24 C263 37.3(6) . . . . ?
C23B Co23 Co24 C263 -97.1(4) . . . . ?
C23C Co23 Co24 C263 155.4(4) . . . . ?
C264 Co23 Co24 C263 52.6(4) . . . . ?
C31A Co31 Co32 C32B 20.3(6) . . . . ?
C31B Co31 Co32 C32B -115.0(5) . . . . ?
C31C Co31 Co32 C32B 137.6(5) . . . . ?
C344 Co31 Co32 C32B 32.6(5) . . . . ?
C343 Co31 Co32 C32B -19.8(5) . . . . ?
C31A Co31 Co32 C32A 143.7(5) . . . . ?
C31B Co31 Co32 C32A 8.4(4) . . . . ?
C31C Co31 Co32 C32A -99.0(4) . . . . ?
C344 Co31 Co32 C32A 156.0(4) . . . . ?
C343 Co31 Co32 C32A 103.6(4) . . . . ?
C31A Co31 Co32 C32C -109.2(5) . . . . ?
C31B Co31 Co32 C32C 115.6(4) . . . . ?
C31C Co31 Co32 C32C 8.1(4) . . . . ?
C344 Co31 Co32 C32C -96.9(4) . . . . ?
C343 Co31 Co32 C32C -149.2(4) . . . . ?
C31A Co31 Co32 C343 40.1(5) . . . . ?
C31B Co31 Co32 C343 -95.2(4) . . . . ?
C31C Co31 Co32 C343 157.4(4) . . . . ?
C344 Co31 Co32 C343 52.4(4) . . . . ?
C31A Co31 Co32 C344 -12.3(5) . . . . ?
C31B Co31 Co32 C344 -147.6(4) . . . . ?
C31C Co31 Co32 C344 105.0(4) . . . . ?
C343 Co31 Co32 C344 -52.4(4) . . . . ?
C33A Co33 Co34 C34A 13.6(9) . . . . ?
C33B Co33 Co34 C34A -111.2(7) . . . . ?
C33C Co33 Co34 C34A 141.1(6) . . . . ?
C364 Co33 Co34 C34A -12.3(7) . . . . ?
C363 Co33 Co34 C34A 41.0(7) . . . . ?
C33A Co33 Co34 C34C -120.4(7) . . . . ?
C33B Co33 Co34 C34C 114.8(4) . . . . ?
C33C Co33 Co34 C34C 7.1(4) . . . . ?
C364 Co33 Co34 C34C -146.3(4) . . . . ?
C363 Co33 Co34 C34C -93.0(4) . . . . ?
C33A Co33 Co34 C34B 130.8(7) . . . . ?
C33B Co33 Co34 C34B 6.0(4) . . . . ?
C33C Co33 Co34 C34B -101.7(4) . . . . ?
C364 Co33 Co34 C34B 104.8(4) . . . . ?
C363 Co33 Co34 C34B 158.2(4) . . . . ?
C33A Co33 Co34 C363 -27.3(7) . . . . ?
C33B Co33 Co34 C363 -152.2(4) . . . . ?
C33C Co33 Co34 C363 100.1(4) . . . . ?
C364 Co33 Co34 C363 -53.3(4) . . . . ?
C33A Co33 Co34 C364 26.0(7) . . . . ?
C33B Co33 Co34 C364 -98.9(4) . . . . ?
C33C Co33 Co34 C364 153.4(4) . . . . ?
C363 Co33 Co34 C364 53.3(4) . . . . ?
C41A Co41 Co42 C42C -3.6(9) . . . . ?
C41C Co41 Co42 C42C 114.4(6) . . . . ?
C41B Co41 Co42 C42C -135.2(6) . . . . ?
C444 Co41 Co42 C42C 17.7(6) . . . . ?
C443 Co41 Co42 C42C -34.0(6) . . . . ?
C41A Co41 Co42 C42A -124.2(7) . . . . ?
C41C Co41 Co42 C42A -6.2(4) . . . . ?
C41B Co41 Co42 C42A 104.2(4) . . . . ?
C444 Co41 Co42 C42A -102.9(4) . . . . ?
C443 Co41 Co42 C42A -154.6(4) . . . . ?
C41A Co41 Co42 C42B 129.2(7) . . . . ?
C41C Co41 Co42 C42B -112.8(4) . . . . ?
C41B Co41 Co42 C42B -2.4(4) . . . . ?
C444 Co41 Co42 C42B 150.5(4) . . . . ?
C443 Co41 Co42 C42B 98.8(4) . . . . ?
C41A Co41 Co42 C444 -21.3(7) . . . . ?
C41C Co41 Co42 C444 96.7(4) . . . . ?
C41B Co41 Co42 C444 -152.9(4) . . . . ?
C443 Co41 Co42 C444 -51.6(4) . . . . ?
C41A Co41 Co42 C443 30.4(7) . . . . ?
C41C Co41 Co42 C443 148.4(4) . . . . ?
C41B Co41 Co42 C443 -101.2(4) . . . . ?
C444 Co41 Co42 C443 51.6(4) . . . . ?
C43B Co43 Co44 C44B -106.8(6) . . . . ?
C43C Co43 Co44 C44B 4.4(4) . . . . ?
C43A Co43 Co44 C44B 107.1(4) . . . . ?
C464 Co43 Co44 C44B -102.4(4) . . . . ?
C463 Co43 Co44 C44B -155.6(4) . . . . ?
C43B Co43 Co44 C44A 143.8(6) . . . . ?
C43C Co43 Co44 C44A -105.0(4) . . . . ?
C43A Co43 Co44 C44A -2.3(4) . . . . ?
C464 Co43 Co44 C44A 148.3(4) . . . . ?
C463 Co43 Co44 C44A 95.0(4) . . . . ?
C43B Co43 Co44 C44C 18.4(6) . . . . ?
C43C Co43 Co44 C44C 129.6(5) . . . . ?
C43A Co43 Co44 C44C -127.7(5) . . . . ?
C464 Co43 Co44 C44C 22.8(5) . . . . ?
C463 Co43 Co44 C44C -30.4(5) . . . . ?
C43B Co43 Co44 C464 -4.4(5) . . . . ?
C43C Co43 Co44 C464 106.8(4) . . . . ?
C43A Co43 Co44 C464 -150.5(4) . . . . ?
C463 Co43 Co44 C464 -53.2(4) . . . . ?
C43B Co43 Co44 C463 48.8(6) . . . . ?
C43C Co43 Co44 C463 160.0(4) . . . . ?
C43A Co43 Co44 C463 -97.3(4) . . . . ?
C464 Co43 Co44 C463 53.2(4) . . . . ?
C16 C11 C12 C13 -0.5(10) . . . . ?
C17 C11 C12 C13 177.4(6) . . . . ?
C11 C12 C13 C14 -3.7(10) . . . . ?
C11 C12 C13 C47 -179.7(6) . . . . ?
C142 O141 C14 C13 153.5(11) . . . . ?
C142 O141 C14 C15 -27.3(15) . . . . ?
C12 C13 C14 O141 -176.4(7) . . . . ?
C47 C13 C14 O141 -0.3(11) . . . . ?
C12 C13 C14 C15 4.3(11) . . . . ?
C47 C13 C14 C15 -179.5(7) . . . . ?
O141 C14 C15 C16 179.9(7) . . . . ?
C13 C14 C15 C16 -0.9(12) . . . . ?
C14 C15 C16 C11 -3.6(11) . . . . ?
C14 C15 C16 O161 177.8(7) . . . . ?
C12 C11 C16 C15 4.3(10) . . . . ?
C17 C11 C16 C15 -173.7(7) . . . . ?
C12 C11 C16 O161 -177.1(6) . . . . ?
C17 C11 C16 O161 5.0(9) . . . . ?
C162 O161 C16 C15 -1.5(10) . . . . ?
C162 O161 C16 C11 179.9(6) . . . . ?
C16 C11 C17 C21 -154.7(6) . . . . ?
C12 C11 C17 C21 27.5(9) . . . . ?
C16 C11 C17 C18 77.8(8) . . . . ?
C12 C11 C17 C18 -100.0(7) . . . . ?
C11 C17 C21 C26 72.7(8) . . . . ?
C18 C17 C21 C26 -160.8(6) . . . . ?
C11 C17 C21 C22 -108.5(7) . . . . ?
C18 C17 C21 C22 18.0(9) . . . . ?
C26 C21 C22 C23 2.2(9) . . . . ?
C17 C21 C22 C23 -176.7(6) . . . . ?
C21 C22 C23 C24 1.0(9) . . . . ?
C21 C22 C23 C27 -179.4(6) . . . . ?
C22 C23 C24 O241 176.5(5) . . . . ?
C27 C23 C24 O241 -3.1(8) . . . . ?
C22 C23 C24 C25 -3.9(9) . . . . ?
C27 C23 C24 C25 176.5(6) . . . . ?
C242 O241 C24 C23 -158.2(6) . . . . ?
C242 O241 C24 C25 22.1(9) . . . . ?
C23 C24 C25 C26 3.3(10) . . . . ?
O241 C24 C25 C26 -177.0(6) . . . . ?
C22 C21 C26 O261 -175.5(5) . . . . ?
C17 C21 C26 O261 3.3(9) . . . . ?
C22 C21 C26 C25 -2.7(9) . . . . ?
C17 C21 C26 C25 176.1(6) . . . . ?
C262 O261 C26 C21 -118.6(7) . . . . ?
C262 O261 C26 C25 68.4(8) . . . . ?
C24 C25 C26 C21 0.1(10) . . . . ?
C24 C25 C26 O261 172.9(6) . . . . ?
C22 C23 C27 C31 111.6(7) . . . . ?
C24 C23 C27 C31 -68.8(8) . . . . ?
C22 C23 C27 C28 -12.6(9) . . . . ?
C24 C23 C27 C28 166.9(6) . . . . ?
C28 C27 C31 C32 91.1(8) . . . . ?
C23 C27 C31 C32 -34.4(9) . . . . ?
C28 C27 C31 C36 -89.5(8) . . . . ?
C23 C27 C31 C36 144.9(6) . . . . ?
C36 C31 C32 C33 0.5(10) . . . . ?
C27 C31 C32 C33 179.8(6) . . . . ?
C31 C32 C33 C34 -1.8(10) . . . . ?
C31 C32 C33 C37 176.0(6) . . . . ?
C342 O341 C34 C35 -3.1(10) . . . . ?
C342 O341 C34 C33 178.3(6) . . . . ?
C32 C33 C34 C35 2.8(10) . . . . ?
C37 C33 C34 C35 -175.0(6) . . . . ?
C32 C33 C34 O341 -178.5(6) . . . . ?
C37 C33 C34 O341 3.7(9) . . . . ?
O341 C34 C35 C36 178.9(6) . . . . ?
C33 C34 C35 C36 -2.5(10) . . . . ?
C362 O361 C36 C31 -105.7(7) . . . . ?
C362 O361 C36 C35 81.3(7) . . . . ?
C32 C31 C36 O361 -173.0(6) . . . . ?
C27 C31 C36 O361 7.6(10) . . . . ?
C32 C31 C36 C35 -0.1(10) . . . . ?
C27 C31 C36 C35 -179.5(6) . . . . ?
C34 C35 C36 O361 174.2(6) . . . . ?
C34 C35 C36 C31 1.2(10) . . . . ?
C32 C33 C37 C38 -90.0(7) . . . . ?
C34 C33 C37 C38 87.7(8) . . . . ?
C32 C33 C37 C41 36.9(9) . . . . ?
C34 C33 C37 C41 -145.4(6) . . . . ?
C38 C37 C41 C42 12.5(9) . . . . ?
C33 C37 C41 C42 -111.3(7) . . . . ?
C38 C37 C41 C46 -166.0(6) . . . . ?
C33 C37 C41 C46 70.1(8) . . . . ?
C46 C41 C42 C43 3.7(10) . . . . ?
C37 C41 C42 C43 -174.9(6) . . . . ?
C41 C42 C43 C44 1.2(10) . . . . ?
C41 C42 C43 C47 178.7(6) . . . . ?
C442 O441 C44 C45 14.6(9) . . . . ?
C442 O441 C44 C43 -166.1(6) . . . . ?
C42 C43 C44 O441 175.7(6) . . . . ?
C47 C43 C44 O441 -1.9(9) . . . . ?
C42 C43 C44 C45 -5.0(10) . . . . ?
C47 C43 C44 C45 177.4(6) . . . . ?
O441 C44 C45 C46 -176.9(6) . . . . ?
C43 C44 C45 C46 3.9(10) . . . . ?
C44 C45 C46 O461 173.5(6) . . . . ?
C44 C45 C46 C41 1.3(10) . . . . ?
C462 O461 C46 C45 79.6(8) . . . . ?
C462 O461 C46 C41 -108.0(7) . . . . ?
C42 C41 C46 C45 -4.9(9) . . . . ?
C37 C41 C46 C45 173.8(6) . . . . ?
C42 C41 C46 O461 -177.1(6) . . . . ?
C37 C41 C46 O461 1.5(9) . . . . ?
C12 C13 C47 C48 95.8(8) . . . . ?
C14 C13 C47 C48 -80.0(9) . . . . ?
C12 C13 C47 C43 -29.7(10) . . . . ?
C14 C13 C47 C43 154.4(7) . . . . ?
C42 C43 C47 C13 107.3(7) . . . . ?
C44 C43 C47 C13 -75.2(8) . . . . ?
C42 C43 C47 C48 -17.6(9) . . . . ?
C44 C43 C47 C48 159.8(6) . . . . ?
C11B Co11 C11A O11A -78(9) . . . . ?
C11C Co11 C11A O11A 173(9) . . . . ?
C144 Co11 C11A O11A 33(9) . . . . ?
C143 Co11 C11A O11A 73(9) . . . . ?
Co12 Co11 C11A O11A 46(10) . . . . ?
C11A Co11 C11B O11B -82(23) . . . . ?
C11C Co11 C11B O11B 24(23) . . . . ?
C144 Co11 C11B O11B -179(100) . . . . ?
C143 Co11 C11B O11B 159(22) . . . . ?
Co12 Co11 C11B O11B 128(23) . . . . ?
C11B Co11 C11C O11C 124(13) . . . . ?
C11A Co11 C11C O11C -133(13) . . . . ?
C144 Co11 C11C O11C -23(14) . . . . ?
C143 Co11 C11C O11C -32(13) . . . . ?
Co12 Co11 C11C O11C 19(13) . . . . ?
C12C Co12 C12A O12A -175(100) . . . . ?
C12B Co12 C12A O12A 76(24) . . . . ?
C143 Co12 C12A O12A -79(24) . . . . ?
C144 Co12 C12A O12A -42(24) . . . . ?
Co11 Co12 C12A O12A -26(24) . . . . ?
C12A Co12 C12B O12B 91(11) . . . . ?
C12C Co12 C12B O12B -18(11) . . . . ?
C143 Co12 C12B O12B -129(11) . . . . ?
C144 Co12 C12B O12B -171(11) . . . . ?
Co11 Co12 C12B O12B -127(11) . . . . ?
C12A Co12 C12C O12C 47(27) . . . . ?
C12B Co12 C12C O12C 152(27) . . . . ?
C143 Co12 C12C O12C -64(27) . . . . ?
C144 Co12 C12C O12C -60(27) . . . . ?
Co11 Co12 C12C O12C -112(27) . . . . ?
C13C Co13 C13A O13A -48(16) . . . . ?
C13B Co13 C13A O13A -153(16) . . . . ?
C163 Co13 C13A O13A 68(16) . . . . ?
C164 Co13 C13A O13A 55(16) . . . . ?
Co14 Co13 C13A O13A 107(16) . . . . ?
C13C Co13 C13B O13B -178(100) . . . . ?
C13A Co13 C13B O13B -76(26) . . . . ?
C163 Co13 C13B O13B 79(26) . . . . ?
C164 Co13 C13B O13B 60(26) . . . . ?
Co14 Co13 C13B O13B 28(26) . . . . ?
C13A Co13 C13C O13C 78(21) . . . . ?
C13B Co13 C13C O13C -173(100) . . . . ?
C163 Co13 C13C O13C -68(21) . . . . ?
C164 Co13 C13C O13C -27(21) . . . . ?
Co14 Co13 C13C O13C -51(21) . . . . ?
C14 O141 C142 C143 176.9(9) . . . . ?
O141 C142 C143 C144 113.6(15) . . . . ?
O141 C142 C143 Co12 -120.4(12) . . . . ?
O141 C142 C143 Co11 -1(2) . . . . ?
C12A Co12 C143 C144 67.9(6) . . . . ?
C12C Co12 C143 C144 175.2(9) . . . . ?
C12B Co12 C143 C144 -69.5(9) . . . . ?
Co11 Co12 C143 C144 -71.6(5) . . . . ?
C12A Co12 C143 C142 -82.5(10) . . . . ?
C12C Co12 C143 C142 24.8(12) . . . . ?
C12B Co12 C143 C142 140.2(10) . . . . ?
C144 Co12 C143 C142 -150.4(13) . . . . ?
Co11 Co12 C143 C142 138.1(11) . . . . ?
C12A Co12 C143 Co11 139.4(3) . . . . ?
C12C Co12 C143 Co11 -113.3(8) . . . . ?
C12B Co12 C143 Co11 2.1(8) . . . . ?
C144 Co12 C143 Co11 71.6(5) . . . . ?
C11B Co11 C143 C144 33.1(10) . . . . ?
C11A Co11 C143 C144 -86.0(5) . . . . ?
C11C Co11 C143 C144 169.6(6) . . . . ?
Co12 Co11 C143 C144 73.6(4) . . . . ?
C11B Co11 C143 C142 178.9(12) . . . . ?
C11A Co11 C143 C142 59.7(12) . . . . ?
C11C Co11 C143 C142 -44.6(12) . . . . ?
C144 Co11 C143 C142 145.8(14) . . . . ?
Co12 Co11 C143 C142 -140.6(13) . . . . ?
C11B Co11 C143 Co12 -40.5(9) . . . . ?
C11A Co11 C143 Co12 -159.6(4) . . . . ?
C11C Co11 C143 Co12 96.0(4) . . . . ?
C144 Co11 C143 Co12 -73.6(4) . . . . ?
C142 C143 C144 Co11 -132.9(15) . . . . ?
Co12 C143 C144 Co11 84.8(3) . . . . ?
C142 C143 C144 Co12 142.3(15) . . . . ?
Co11 C143 C144 Co12 -84.8(3) . . . . ?
C11B Co11 C144 C143 -161.3(6) . . . . ?
C11A Co11 C144 C143 98.5(5) . . . . ?
C11C Co11 C144 C143 -15.1(8) . . . . ?
Co12 Co11 C144 C143 -72.0(5) . . . . ?
C11B Co11 C144 Co12 -89.3(5) . . . . ?
C11A Co11 C144 Co12 170.5(4) . . . . ?
C11C Co11 C144 Co12 56.9(7) . . . . ?
C143 Co11 C144 Co12 72.0(5) . . . . ?
C12A Co12 C144 C143 -119.5(6) . . . . ?
C12C Co12 C144 C143 -6.3(11) . . . . ?
C12B Co12 C144 C143 138.9(6) . . . . ?
Co11 Co12 C144 C143 74.0(5) . . . . ?
C12A Co12 C144 Co11 166.5(4) . . . . ?
C12C Co12 C144 Co11 -80.3(10) . . . . ?
C12B Co12 C144 Co11 65.0(5) . . . . ?
C143 Co12 C144 Co11 -74.0(5) . . . . ?
C14B Co14 C14A O14A 83(59) . . . . ?
C14C Co14 C14A O14A -166(100) . . . . ?
C163 Co14 C14A O14A -21(59) . . . . ?
C164 Co14 C14A O14A -62(59) . . . . ?
Co13 Co14 C14A O14A -40(59) . . . . ?
C14A Co14 C14B O14B 167(100) . . . . ?
C14C Co14 C14B O14B 61(33) . . . . ?
C163 Co14 C14B O14B -92(33) . . . . ?
C164 Co14 C14B O14B -77(33) . . . . ?
Co13 Co14 C14B O14B -40(33) . . . . ?
C14A Co14 C14C O14C 119(13) . . . . ?
C14B Co14 C14C O14C -136(13) . . . . ?
C163 Co14 C14C O14C 0(13) . . . . ?
C164 Co14 C14C O14C 17(13) . . . . ?
Co13 Co14 C14C O14C -34(13) . . . . ?
C16 O161 C162 C163 -175.9(6) . . . . ?
O161 C162 C163 C164 -171.6(9) . . . . ?
O161 C162 C163 Co14 69.3(9) . . . . ?
O161 C162 C163 Co13 -58.4(9) . . . . ?
C14A Co14 C163 C164 -94.0(5) . . . . ?
C14B Co14 C163 C164 164.6(5) . . . . ?
C14C Co14 C163 C164 26.5(7) . . . . ?
Co13 Co14 C163 C164 73.0(4) . . . . ?
C14A Co14 C163 C162 48.8(8) . . . . ?
C14B Co14 C163 C162 -52.6(8) . . . . ?
C14C Co14 C163 C162 169.3(7) . . . . ?
C164 Co14 C163 C162 142.8(10) . . . . ?
Co13 Co14 C163 C162 -144.2(8) . . . . ?
C14A Co14 C163 Co13 -167.0(3) . . . . ?
C14B Co14 C163 Co13 91.6(3) . . . . ?
C14C Co14 C163 Co13 -46.5(6) . . . . ?
C164 Co14 C163 Co13 -73.0(4) . . . . ?
C13C Co13 C163 C164 95.4(5) . . . . ?
C13A Co13 C163 C164 -21.1(8) . . . . ?
C13B Co13 C163 C164 -160.8(5) . . . . ?
Co14 Co13 C163 C164 -73.1(4) . . . . ?
C13C Co13 C163 C162 -45.1(8) . . . . ?
C13A Co13 C163 C162 -161.6(7) . . . . ?
C13B Co13 C163 C162 58.7(8) . . . . ?
C164 Co13 C163 C162 -140.5(10) . . . . ?
Co14 Co13 C163 C162 146.4(8) . . . . ?
C13C Co13 C163 Co14 168.5(3) . . . . ?
C13A Co13 C163 Co14 51.9(6) . . . . ?
C13B Co13 C163 Co14 -87.7(3) . . . . ?
C164 Co13 C163 Co14 73.1(4) . . . . ?
C162 C163 C164 Co14 -140.6(11) . . . . ?
Co13 C163 C164 Co14 84.4(2) . . . . ?
C162 C163 C164 Co13 135.0(11) . . . . ?
Co14 C163 C164 Co13 -84.4(2) . . . . ?
C14A Co14 C164 C163 92.2(5) . . . . ?
C14B Co14 C164 C163 -24.2(7) . . . . ?
C14C Co14 C164 C163 -162.8(5) . . . . ?
Co13 Co14 C164 C163 -72.9(4) . . . . ?
C14A Co14 C164 Co13 165.1(3) . . . . ?
C14B Co14 C164 Co13 48.7(6) . . . . ?
C14C Co14 C164 Co13 -89.9(3) . . . . ?
C163 Co14 C164 Co13 72.9(4) . . . . ?
C13C Co13 C164 C163 -91.9(5) . . . . ?
C13A Co13 C164 C163 166.7(5) . . . . ?
C13B Co13 C164 C163 29.7(7) . . . . ?
Co14 Co13 C164 C163 72.3(4) . . . . ?
C13C Co13 C164 Co14 -164.2(3) . . . . ?
C13A Co13 C164 Co14 94.4(4) . . . . ?
C13B Co13 C164 Co14 -42.6(5) . . . . ?
C163 Co13 C164 Co14 -72.3(4) . . . . ?
C21B Co21 C21A O21A 19(49) . . . . ?
C21C Co21 C21A O21A 128(49) . . . . ?
C244 Co21 C21A O21A -88(49) . . . . ?
C243 Co21 C21A O21A -127(49) . . . . ?
Co22 Co21 C21A O21A -98(49) . . . . ?
C21A Co21 C21B O21B -148(100) . . . . ?
C21C Co21 C21B O21B 108(100) . . . . ?
C244 Co21 C21B O21B -47(100) . . . . ?
C243 Co21 C21B O21B -26(100) . . . . ?
Co22 Co21 C21B O21B 3(100) . . . . ?
C21A Co21 C21C O21C 75(14) . . . . ?
C21B Co21 C21C O21C 177(100) . . . . ?
C244 Co21 C21C O21C -41(14) . . . . ?
C243 Co21 C21C O21C -30(14) . . . . ?
Co22 Co21 C21C O21C -82(14) . . . . ?
C22B Co22 C22A O22A 149(9) . . . . ?
C22C Co22 C22A O22A -103(9) . . . . ?
C244 Co22 C22A O22A 2(9) . . . . ?
C243 Co22 C22A O22A 41(9) . . . . ?
Co21 Co22 C22A O22A 24(10) . . . . ?
C22A Co22 C22B O22B -125(20) . . . . ?
C22C Co22 C22B O22B 131(20) . . . . ?
C244 Co22 C22B O22B -5(21) . . . . ?
C243 Co22 C22B O22B -24(21) . . . . ?
Co21 Co22 C22B O22B 27(20) . . . . ?
C22A Co22 C22C O22C 130(18) . . . . ?
C22B Co22 C22C O22C -125(18) . . . . ?
C244 Co22 C22C O22C 29(18) . . . . ?
C243 Co22 C22C O22C 15(19) . . . . ?
Co21 Co22 C22C O22C -23(18) . . . . ?
C23B Co23 C23A O23A 142(29) . . . . ?
C23C Co23 C23A O23A -109(29) . . . . ?
C263 Co23 C23A O23A 36(29) . . . . ?
C264 Co23 C23A O23A -4(29) . . . . ?
Co24 Co23 C23A O23A 8(29) . . . . ?
C23A Co23 C23B O23B -38(42) . . . . ?
C23C Co23 C23B O23B -142(42) . . . . ?
C263 Co23 C23B O23B 66(42) . . . . ?
C264 Co23 C23B O23B 79(42) . . . . ?
Co24 Co23 C23B O23B 119(42) . . . . ?
C23A Co23 C23C O23C 132(11) . . . . ?
C23B Co23 C23C O23C -123(11) . . . . ?
C263 Co23 C23C O23C 11(12) . . . . ?
C264 Co23 C23C O23C 32(11) . . . . ?
Co24 Co23 C23C O23C -19(11) . . . . ?
C24 O241 C242 C243 59.8(8) . . . . ?
O241 C242 C243 C244 -61.6(14) . . . . ?
O241 C242 C243 Co22 -177.9(5) . . . . ?
O241 C242 C243 Co21 61.1(9) . . . . ?
C22A Co22 C243 C244 -94.6(6) . . . . ?
C22B Co22 C243 C244 161.4(5) . . . . ?
C22C Co22 C243 C244 21.1(8) . . . . ?
Co21 Co22 C243 C244 72.5(4) . . . . ?
C22A Co22 C243 C242 51.2(8) . . . . ?
C22B Co22 C243 C242 -52.7(8) . . . . ?
C22C Co22 C243 C242 166.9(7) . . . . ?
C244 Co22 C243 C242 145.9(9) . . . . ?
Co21 Co22 C243 C242 -141.7(8) . . . . ?
C22A Co22 C243 Co21 -167.1(4) . . . . ?
C22B Co22 C243 Co21 89.0(4) . . . . ?
C22C Co22 C243 Co21 -51.4(6) . . . . ?
C244 Co22 C243 Co21 -72.5(4) . . . . ?
C21A Co21 C243 C244 87.0(5) . . . . ?
C21B Co21 C243 C244 -33.7(7) . . . . ?
C21C Co21 C243 C244 -168.8(5) . . . . ?
Co22 Co21 C243 C244 -72.5(4) . . . . ?
C21A Co21 C243 C242 -61.2(8) . . . . ?
C21B Co21 C243 C242 178.0(6) . . . . ?
C21C Co21 C243 C242 42.9(8) . . . . ?
C244 Co21 C243 C242 -148.2(10) . . . . ?
Co22 Co21 C243 C242 139.3(8) . . . . ?
C21A Co21 C243 Co22 159.5(3) . . . . ?
C21B Co21 C243 Co22 38.7(6) . . . . ?
C21C Co21 C243 Co22 -96.4(3) . . . . ?
C244 Co21 C243 Co22 72.5(4) . . . . ?
C242 C243 C244 Co22 -134.6(12) . . . . ?
Co21 C243 C244 Co22 84.9(2) . . . . ?
C242 C243 C244 Co21 140.5(12) . . . . ?
Co22 C243 C244 Co21 -84.9(2) . . . . ?
C22A Co22 C244 C243 90.6(5) . . . . ?
C22B Co22 C244 C243 -29.8(8) . . . . ?
C22C Co22 C244 C243 -166.5(5) . . . . ?
Co21 Co22 C244 C243 -73.5(4) . . . . ?
C22A Co22 C244 Co21 164.1(3) . . . . ?
C22B Co22 C244 Co21 43.8(7) . . . . ?
C22C Co22 C244 Co21 -93.0(4) . . . . ?
C243 Co22 C244 Co21 73.5(4) . . . . ?
C21A Co21 C244 C243 -100.1(5) . . . . ?
C21B Co21 C244 C243 158.7(5) . . . . ?
C21C Co21 C244 C243 17.0(8) . . . . ?
Co22 Co21 C244 C243 73.0(5) . . . . ?
C21A Co21 C244 Co22 -173.1(3) . . . . ?
C21B Co21 C244 Co22 85.7(3) . . . . ?
C21C Co21 C244 Co22 -56.0(6) . . . . ?
C243 Co21 C244 Co22 -73.0(5) . . . . ?
C24B Co24 C24A O24A -72(35) . . . . ?
C24C Co24 C24A O24A -180(100) . . . . ?
C264 Co24 C24A O24A 77(35) . . . . ?
C263 Co24 C24A O24A 38(35) . . . . ?
Co23 Co24 C24A O24A 42(35) . . . . ?
C24C Co24 C24B O24B -62(100) . . . . ?
C24A Co24 C24B O24B -165(100) . . . . ?
C264 Co24 C24B O24B 69(100) . . . . ?
C263 Co24 C24B O24B 94(100) . . . . ?
Co23 Co24 C24B O24B 45(100) . . . . ?
C24B Co24 C24C O24C 170(15) . . . . ?
C24A Co24 C24C O24C -90(15) . . . . ?
C264 Co24 C24C O24C 17(15) . . . . ?
C263 Co24 C24C O24C 25(16) . . . . ?
Co23 Co24 C24C O24C 69(15) . . . . ?
C26 O261 C262 C263 177.8(6) . . . . ?
O261 C262 C263 C264 -38.5(12) . . . . ?
O261 C262 C263 Co23 -161.0(7) . . . . ?
O261 C262 C263 Co24 66.6(8) . . . . ?
C23A Co23 C263 C264 -88.4(5) . . . . ?
C23B Co23 C263 C264 167.6(5) . . . . ?
C23C Co23 C263 C264 32.3(7) . . . . ?
Co24 Co23 C263 C264 72.0(4) . . . . ?
C23A Co23 C263 C262 54.1(9) . . . . ?
C23B Co23 C263 C262 -50.0(9) . . . . ?
C23C Co23 C263 C262 174.8(8) . . . . ?
C264 Co23 C263 C262 142.4(11) . . . . ?
Co24 Co23 C263 C262 -145.5(10) . . . . ?
C23A Co23 C263 Co24 -160.4(3) . . . . ?
C23B Co23 C263 Co24 95.5(3) . . . . ?
C23C Co23 C263 Co24 -39.7(6) . . . . ?
C264 Co23 C263 Co24 -72.0(4) . . . . ?
C24B Co24 C263 C264 -155.7(5) . . . . ?
C24C Co24 C263 C264 -11.0(7) . . . . ?
C24A Co24 C263 C264 103.6(5) . . . . ?
Co23 Co24 C263 C264 -73.0(4) . . . . ?
C24B Co24 C263 C262 68.8(7) . . . . ?
C24C Co24 C263 C262 -146.5(7) . . . . ?
C24A Co24 C263 C262 -31.9(7) . . . . ?
C264 Co24 C263 C262 -135.5(9) . . . . ?
Co23 Co24 C263 C262 151.5(8) . . . . ?
C24B Co24 C263 Co23 -82.7(3) . . . . ?
C24C Co24 C263 Co23 62.0(5) . . . . ?
C24A Co24 C263 Co23 176.5(3) . . . . ?
C264 Co24 C263 Co23 73.0(4) . . . . ?
C262 C263 C264 Co23 -145.4(10) . . . . ?
Co24 C263 C264 Co23 85.4(2) . . . . ?
C262 C263 C264 Co24 129.2(10) . . . . ?
Co23 C263 C264 Co24 -85.4(2) . . . . ?
C23A Co23 C264 C263 98.4(5) . . . . ?
C23B Co23 C264 C263 -19.9(8) . . . . ?
C23C Co23 C264 C263 -159.1(5) . . . . ?
Co24 Co23 C264 C263 -73.3(4) . . . . ?
C23A Co23 C264 Co24 171.7(3) . . . . ?
C23B Co23 C264 Co24 53.3(6) . . . . ?
C23C Co23 C264 Co24 -85.9(3) . . . . ?
C263 Co23 C264 Co24 73.3(4) . . . . ?
C24B Co24 C264 C263 39.7(7) . . . . ?
C24C Co24 C264 C263 172.7(5) . . . . ?
C24A Co24 C264 C263 -84.7(5) . . . . ?
Co23 Co24 C264 C263 71.8(4) . . . . ?
C24B Co24 C264 Co23 -32.1(6) . . . . ?
C24C Co24 C264 Co23 100.9(3) . . . . ?
C24A Co24 C264 Co23 -156.5(3) . . . . ?
C263 Co24 C264 Co23 -71.8(4) . . . . ?
C31B Co31 C31A O31A 122(17) . . . . ?
C31C Co31 C31A O31A -130(17) . . . . ?
C344 Co31 C31A O31A -23(17) . . . . ?
C343 Co31 C31A O31A 18(18) . . . . ?
Co32 Co31 C31A O31A -13(18) . . . . ?
C31A Co31 C31B O31B -175(100) . . . . ?
C31C Co31 C31B O31B 82(40) . . . . ?
C344 Co31 C31B O31B -59(40) . . . . ?
C343 Co31 C31B O31B -70(40) . . . . ?
Co32 Co31 C31B O31B -18(40) . . . . ?
C31A Co31 C31C O31C 139(36) . . . . ?
C31B Co31 C31C O31C -116(36) . . . . ?
C344 Co31 C31C O31C 39(36) . . . . ?
C343 Co31 C31C O31C 17(37) . . . . ?
Co32 Co31 C31C O31C -12(36) . . . . ?
C32B Co32 C32A O32A -179(100) . . . . ?
C32C Co32 C32A O32A -74(14) . . . . ?
C343 Co32 C32A O32A 79(14) . . . . ?
C344 Co32 C32A O32A 58(14) . . . . ?
Co31 Co32 C32A O32A 28(14) . . . . ?
C32A Co32 C32B O32B -120(14) . . . . ?
C32C Co32 C32B O32B 131(14) . . . . ?
C343 Co32 C32B O32B -13(14) . . . . ?
C344 Co32 C32B O32B 27(14) . . . . ?
Co31 Co32 C32B O32B 2(15) . . . . ?
C32B Co32 C32C O32C -23(35) . . . . ?
C32A Co32 C32C O32C -128(35) . . . . ?
C343 Co32 C32C O32C 94(35) . . . . ?
C344 Co32 C32C O32C 80(35) . . . . ?
Co31 Co32 C32C O32C 132(35) . . . . ?
C33B Co33 C33A O33A 151(19) . . . . ?
C33C Co33 C33A O33A -101(19) . . . . ?
C364 Co33 C33A O33A 46(19) . . . . ?
C363 Co33 C33A O33A 5(19) . . . . ?
Co34 Co33 C33A O33A 26(19) . . . . ?
C33A Co33 C33B O33B -116(21) . . . . ?
C33C Co33 C33B O33B 140(21) . . . . ?
C364 Co33 C33B O33B -11(21) . . . . ?
C363 Co33 C33B O33B 5(21) . . . . ?
Co34 Co33 C33B O33B 40(21) . . . . ?
C33A Co33 C33C O33C 105(13) . . . . ?
C33B Co33 C33C O33C -153(13) . . . . ?
C364 Co33 C33C O33C -20(13) . . . . ?
C363 Co33 C33C O33C -1(13) . . . . ?
Co34 Co33 C33C O33C -52(13) . . . . ?
C34 O341 C342 C343 179.9(6) . . . . ?
O341 C342 C343 C344 -174.3(10) . . . . ?
O341 C342 C343 Co31 67.1(9) . . . . ?
O341 C342 C343 Co32 -60.3(9) . . . . ?
C31A Co31 C343 C344 -86.0(5) . . . . ?
C31B Co31 C343 C344 169.1(5) . . . . ?
C31C Co31 C343 C344 34.9(8) . . . . ?
Co32 Co31 C343 C344 72.8(5) . . . . ?
C31A Co31 C343 C342 57.0(8) . . . . ?
C31B Co31 C343 C342 -47.9(8) . . . . ?
C31C Co31 C343 C342 177.8(7) . . . . ?
C344 Co31 C343 C342 143.0(10) . . . . ?
Co32 Co31 C343 C342 -144.2(8) . . . . ?
C31A Co31 C343 Co32 -158.7(3) . . . . ?
C31B Co31 C343 Co32 96.3(3) . . . . ?
C31C Co31 C343 Co32 -37.9(6) . . . . ?
C344 Co31 C343 Co32 -72.8(5) . . . . ?
C32B Co32 C343 C344 96.7(5) . . . . ?
C32A Co32 C343 C344 -159.3(5) . . . . ?
C32C Co32 C343 C344 -21.0(8) . . . . ?
Co31 Co32 C343 C344 -72.7(5) . . . . ?
C32B Co32 C343 C342 -44.6(7) . . . . ?
C32A Co32 C343 C342 59.4(7) . . . . ?
C32C Co32 C343 C342 -162.3(7) . . . . ?
C344 Co32 C343 C342 -141.3(9) . . . . ?
Co31 Co32 C343 C342 146.1(8) . . . . ?
C32B Co32 C343 Co31 169.3(3) . . . . ?
C32A Co32 C343 Co31 -86.6(3) . . . . ?
C32C Co32 C343 Co31 51.6(6) . . . . ?
C344 Co32 C343 Co31 72.7(5) . . . . ?
C342 C343 C344 Co31 -139.9(11) . . . . ?
Co32 C343 C344 Co31 84.6(2) . . . . ?
C342 C343 C344 Co32 135.5(11) . . . . ?
Co31 C343 C344 Co32 -84.6(2) . . . . ?
C31A Co31 C344 C343 100.5(5) . . . . ?
C31B Co31 C344 C343 -17.0(8) . . . . ?
C31C Co31 C344 C343 -158.3(5) . . . . ?
Co32 Co31 C344 C343 -72.7(4) . . . . ?
C31A Co31 C344 Co32 173.2(3) . . . . ?
C31B Co31 C344 Co32 55.7(5) . . . . ?
C31C Co31 C344 Co32 -85.6(3) . . . . ?
C343 Co31 C344 Co32 72.7(4) . . . . ?
C32B Co32 C344 C343 -90.0(5) . . . . ?
C32A Co32 C344 C343 32.8(8) . . . . ?
C32C Co32 C344 C343 166.4(5) . . . . ?
Co31 Co32 C344 C343 72.7(4) . . . . ?
C32B Co32 C344 Co31 -162.7(3) . . . . ?
C32A Co32 C344 Co31 -39.9(6) . . . . ?
C32C Co32 C344 Co31 93.7(3) . . . . ?
C343 Co32 C344 Co31 -72.7(4) . . . . ?
C34C Co34 C34A O34A -165(20) . . . . ?
C34B Co34 C34A O34A -56(20) . . . . ?
C363 Co34 C34A O34A 92(20) . . . . ?
C364 Co34 C34A O34A 51(20) . . . . ?
Co33 Co34 C34A O34A 61(20) . . . . ?
C34A Co34 C34B O34B 173(100) . . . . ?
C34C Co34 C34B O34B -82(23) . . . . ?
C363 Co34 C34B O34B 50(24) . . . . ?
C364 Co34 C34B O34B 73(23) . . . . ?
Co33 Co34 C34B O34B 22(23) . . . . ?
C34A Co34 C34C O34C -119(42) . . . . ?
C34B Co34 C34C O34C 137(42) . . . . ?
C363 Co34 C34C O34C -15(43) . . . . ?
C364 Co34 C34C O34C -4(43) . . . . ?
Co33 Co34 C34C O34C 37(43) . . . . ?
C36 O361 C362 C363 -158.6(5) . . . . ?
O361 C362 C363 C364 -179.1(10) . . . . ?
O361 C362 C363 Co34 61.7(9) . . . . ?
O361 C362 C363 Co33 -57.1(9) . . . . ?
C34A Co34 C363 C364 -86.5(6) . . . . ?
C34C Co34 C363 C364 169.1(6) . . . . ?
C34B Co34 C363 C364 35.1(8) . . . . ?
Co33 Co34 C363 C364 72.0(4) . . . . ?
C34A Co34 C363 C362 62.0(8) . . . . ?
C34C Co34 C363 C362 -42.4(8) . . . . ?
C34B Co34 C363 C362 -176.4(7) . . . . ?
C364 Co34 C363 C362 148.5(10) . . . . ?
Co33 Co34 C363 C362 -139.5(8) . . . . ?
C34A Co34 C363 Co33 -158.6(4) . . . . ?
C34C Co34 C363 Co33 97.0(4) . . . . ?
C34B Co34 C363 Co33 -36.9(7) . . . . ?
C364 Co34 C363 Co33 -72.0(4) . . . . ?
C33A Co33 C363 C364 94.3(5) . . . . ?
C33B Co33 C363 C364 -25.9(8) . . . . ?
C33C Co33 C363 C364 -161.3(5) . . . . ?
Co34 Co33 C363 C364 -72.4(4) . . . . ?
C33A Co33 C363 C362 -55.2(8) . . . . ?
C33B Co33 C363 C362 -175.3(7) . . . . ?
C33C Co33 C363 C362 49.3(8) . . . . ?
C364 Co33 C363 C362 -149.4(9) . . . . ?
Co34 Co33 C363 C362 138.2(8) . . . . ?
C33A Co33 C363 Co34 166.6(3) . . . . ?
C33B Co33 C363 Co34 46.5(6) . . . . ?
C33C Co33 C363 Co34 -89.0(3) . . . . ?
C364 Co33 C363 Co34 72.4(4) . . . . ?
C362 C363 C364 Co34 -136.1(12) . . . . ?
Co33 C363 C364 Co34 85.2(2) . . . . ?
C362 C363 C364 Co33 138.8(12) . . . . ?
Co34 C363 C364 Co33 -85.2(2) . . . . ?
C34A Co34 C364 C363 100.4(5) . . . . ?
C34C Co34 C364 C363 -16.6(8) . . . . ?
C34B Co34 C364 C363 -158.5(5) . . . . ?
Co33 Co34 C364 C363 -72.9(4) . . . . ?
C34A Co34 C364 Co33 173.3(4) . . . . ?
C34C Co34 C364 Co33 56.2(7) . . . . ?
C34B Co34 C364 Co33 -85.6(4) . . . . ?
C363 Co34 C364 Co33 72.9(4) . . . . ?
C33A Co33 C364 C363 -95.3(5) . . . . ?
C33B Co33 C364 C363 163.5(5) . . . . ?
C33C Co33 C364 C363 28.8(7) . . . . ?
Co34 Co33 C364 C363 72.0(4) . . . . ?
C33A Co33 C364 Co34 -167.3(3) . . . . ?
C33B Co33 C364 Co34 91.5(4) . . . . ?
C33C Co33 C364 Co34 -43.2(6) . . . . ?
C363 Co33 C364 Co34 -72.0(4) . . . . ?
C41C Co41 C41A O41A 22(38) . . . . ?
C41B Co41 C41A O41A -87(38) . . . . ?
C444 Co41 C41A O41A 125(38) . . . . ?
C443 Co41 C41A O41A 165(38) . . . . ?
Co42 Co41 C41A O41A 141(38) . . . . ?
C41A Co41 C41B O41B -98(15) . . . . ?
C41C Co41 C41B O41B 163(15) . . . . ?
C444 Co41 C41B O41B 24(15) . . . . ?
C443 Co41 C41B O41B 7(15) . . . . ?
Co42 Co41 C41B O41B 59(15) . . . . ?
C41A Co41 C41C O41C 106(22) . . . . ?
C41B Co41 C41C O41C -152(22) . . . . ?
C444 Co41 C41C O41C 4(22) . . . . ?
C443 Co41 C41C O41C -9(22) . . . . ?
Co42 Co41 C41C O41C -48(22) . . . . ?
C42C Co42 C42A O42A 172(19) . . . . ?
C42B Co42 C42A O42A 66(19) . . . . ?
C444 Co42 C42A O42A -88(19) . . . . ?
C443 Co42 C42A O42A -69(19) . . . . ?
Co41 Co42 C42A O42A -37(19) . . . . ?
C42C Co42 C42B O42B 154(19) . . . . ?
C42A Co42 C42B O42B -103(19) . . . . ?
C444 Co42 C42B O42B 35(19) . . . . ?
C443 Co42 C42B O42B 50(19) . . . . ?
Co41 Co42 C42B O42B -2(19) . . . . ?
C42A Co42 C42C O42C 84(20) . . . . ?
C42B Co42 C42C O42C -169(20) . . . . ?
C444 Co42 C42C O42C -22(20) . . . . ?
C443 Co42 C42C O42C -62(20) . . . . ?
Co41 Co42 C42C O42C -36(20) . . . . ?
C43B Co43 C43A O43A 159(21) . . . . ?
C43C Co43 C43A O43A 58(21) . . . . ?
C464 Co43 C43A O43A -80(21) . . . . ?
C463 Co43 C43A O43A -93(21) . . . . ?
Co44 Co43 C43A O43A -41(21) . . . . ?
C43C Co43 C43B O43B -89(7) . . . . ?
C43A Co43 C43B O43B 167(7) . . . . ?
C464 Co43 C43B O43B 19(7) . . . . ?
C463 Co43 C43B O43B 59(7) . . . . ?
Co44 Co43 C43B O43B 22(7) . . . . ?
C43B Co43 C43C O43C 171(100) . . . . ?
C43A Co43 C43C O43C -81(39) . . . . ?
C464 Co43 C43C O43C 74(39) . . . . ?
C463 Co43 C43C O43C 49(40) . . . . ?
Co44 Co43 C43C O43C 23(39) . . . . ?
C44 O441 C442 C443 65.0(8) . . . . ?
O441 C442 C443 C444 -51.1(15) . . . . ?
O441 C442 C443 Co41 -167.2(5) . . . . ?
O441 C442 C443 Co42 70.8(9) . . . . ?
C41A Co41 C443 C444 -92.7(5) . . . . ?
C41C Co41 C443 C444 19.5(8) . . . . ?
C41B Co41 C443 C444 163.2(5) . . . . ?
Co42 Co41 C443 C444 72.3(4) . . . . ?
C41A Co41 C443 C442 52.5(8) . . . . ?
C41C Co41 C443 C442 164.7(7) . . . . ?
C41B Co41 C443 C442 -51.6(8) . . . . ?
C444 Co41 C443 C442 145.2(10) . . . . ?
Co42 Co41 C443 C442 -142.5(8) . . . . ?
C41A Co41 C443 Co42 -165.0(3) . . . . ?
C41C Co41 C443 Co42 -52.8(6) . . . . ?
C41B Co41 C443 Co42 90.9(3) . . . . ?
C444 Co41 C443 Co42 -72.3(4) . . . . ?
C42C Co42 C443 C444 89.9(5) . . . . ?
C42A Co42 C443 C444 -29.2(8) . . . . ?
C42B Co42 C443 C444 -164.9(5) . . . . ?
Co41 Co42 C443 C444 -72.1(5) . . . . ?
C42C Co42 C443 C442 -57.5(8) . . . . ?
C42A Co42 C443 C442 -176.6(7) . . . . ?
C42B Co42 C443 C442 47.8(8) . . . . ?
C444 Co42 C443 C442 -147.4(10) . . . . ?
Co41 Co42 C443 C442 140.5(8) . . . . ?
C42C Co42 C443 Co41 162.0(3) . . . . ?
C42A Co42 C443 Co41 42.9(6) . . . . ?
C42B Co42 C443 Co41 -92.7(3) . . . . ?
C444 Co42 C443 Co41 72.1(5) . . . . ?
C442 C443 C444 Co41 -135.3(13) . . . . ?
Co42 C443 C444 Co41 84.3(2) . . . . ?
C442 C443 C444 Co42 140.5(13) . . . . ?
Co41 C443 C444 Co42 -84.3(2) . . . . ?
C41A Co41 C444 C443 95.5(6) . . . . ?
C41C Co41 C444 C443 -167.2(5) . . . . ?
C41B Co41 C444 C443 -26.9(8) . . . . ?
Co42 Co41 C444 C443 -73.8(5) . . . . ?
C41A Co41 C444 Co42 169.3(4) . . . . ?
C41C Co41 C444 Co42 -93.4(4) . . . . ?
C41B Co41 C444 Co42 46.9(6) . . . . ?
C443 Co41 C444 Co42 73.8(5) . . . . ?
C42C Co42 C444 C443 -96.7(5) . . . . ?
C42A Co42 C444 C443 161.6(5) . . . . ?
C42B Co42 C444 C443 23.7(8) . . . . ?
Co41 Co42 C444 C443 73.8(5) . . . . ?
C42C Co42 C444 Co41 -170.4(3) . . . . ?
C42A Co42 C444 Co41 87.8(4) . . . . ?
C42B Co42 C444 Co41 -50.1(6) . . . . ?
C443 Co42 C444 Co41 -73.8(4) . . . . ?
C44B Co44 C44A O44A -142(10) . . . . ?
C44C Co44 C44A O44A 113(10) . . . . ?
C464 Co44 C44A O44A -2(10) . . . . ?
C463 Co44 C44A O44A 13(10) . . . . ?
Co43 Co44 C44A O44A -39(10) . . . . ?
C44A Co44 C44B O44B 164(100) . . . . ?
C44C Co44 C44B O44B -89(43) . . . . ?
C464 Co44 C44B O44B 11(43) . . . . ?
C463 Co44 C44B O44B 30(43) . . . . ?
Co43 Co44 C44B O44B 63(43) . . . . ?
C44B Co44 C44C O44C 76(25) . . . . ?
C44A Co44 C44C O44C -174(100) . . . . ?
C464 Co44 C44C O44C -32(25) . . . . ?
C463 Co44 C44C O44C -73(25) . . . . ?
Co43 Co44 C44C O44C -50(25) . . . . ?
C46 O461 C462 C463 -170.3(6) . . . . ?
O461 C462 C463 C464 -38.5(13) . . . . ?
O461 C462 C463 Co44 67.5(8) . . . . ?
O461 C462 C463 Co43 -164.0(7) . . . . ?
C44B Co44 C463 C464 -27.8(8) . . . . ?
C44A Co44 C463 C464 -163.9(5) . . . . ?
C44C Co44 C463 C464 91.5(5) . . . . ?
Co43 Co44 C463 C464 -71.8(4) . . . . ?
C44B Co44 C463 C462 -165.8(7) . . . . ?
C44A Co44 C463 C462 58.1(8) . . . . ?
C44C Co44 C463 C462 -46.5(7) . . . . ?
C464 Co44 C463 C462 -138.0(9) . . . . ?
Co43 Co44 C463 C462 150.2(8) . . . . ?
C44B Co44 C463 Co43 44.1(7) . . . . ?
C44A Co44 C463 Co43 -92.0(3) . . . . ?
C44C Co44 C463 Co43 163.3(3) . . . . ?
C464 Co44 C463 Co43 71.8(4) . . . . ?
C43B Co43 C463 C464 -81.3(5) . . . . ?
C43C Co43 C463 C464 38.3(7) . . . . ?
C43A Co43 C463 C464 167.6(5) . . . . ?
Co44 Co43 C463 C464 72.4(4) . . . . ?
C43B Co43 C463 C462 64.1(9) . . . . ?
C43C Co43 C463 C462 -176.3(8) . . . . ?
C43A Co43 C463 C462 -47.0(10) . . . . ?
C464 Co43 C463 C462 145.4(11) . . . . ?
Co44 Co43 C463 C462 -142.2(10) . . . . ?
C43B Co43 C463 Co44 -153.7(3) . . . . ?
C43C Co43 C463 Co44 -34.0(6) . . . . ?
C43A Co43 C463 Co44 95.2(3) . . . . ?
C464 Co43 C463 Co44 -72.4(4) . . . . ?
C462 C463 C464 Co43 -147.2(11) . . . . ?
Co44 C463 C464 Co43 84.7(2) . . . . ?
C462 C463 C464 Co44 128.2(11) . . . . ?
Co43 C463 C464 Co44 -84.7(2) . . . . ?
C43B Co43 C464 C463 104.9(5) . . . . ?
C43C Co43 C464 C463 -156.8(5) . . . . ?
C43A Co43 C464 C463 -20.1(8) . . . . ?
Co44 Co43 C464 C463 -72.5(4) . . . . ?
C43B Co43 C464 Co44 177.5(3) . . . . ?
C43C Co43 C464 Co44 -84.3(3) . . . . ?
C43A Co43 C464 Co44 52.4(6) . . . . ?
C463 Co43 C464 Co44 72.5(4) . . . . ?
C44B Co44 C464 C463 163.5(5) . . . . ?
C44A Co44 C464 C463 23.6(7) . . . . ?
C44C Co44 C464 C463 -94.3(5) . . . . ?
Co43 Co44 C464 C463 73.0(4) . . . . ?
C44B Co44 C464 Co43 90.5(4) . . . . ?
C44A Co44 C464 Co43 -49.4(6) . . . . ?
C44C Co44 C464 Co43 -167.3(3) . . . . ?
C463 Co44 C464 Co43 -73.0(4) . . . . ?
C916 C911 C912 C913 2.4(18) . . . . ?
C911 C912 C913 C914 1(2) . . . . ?
C912 C913 C914 C915 -5(3) . . . . ?
C913 C914 C915 C916 6(3) . . . . ?
C914 C915 C916 C911 -2(3) . . . . ?
C912 C911 C916 C915 -2(3) . . . . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.111 0.834 0.213 15 1 ' '
2 0.500 0.500 0.500 384 62 ' '
3 0.458 0.635 0.125 7 1 ' '
4 0.542 0.365 0.875 7 1 ' '
5 0.888 0.166 0.787 15 1 ' '
