#------------------------------------------------------------------------------
#$Date: 2015-12-09 16:20:56 +0200 (Wed, 09 Dec 2015) $
#$Revision: 171192 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/65/7036587.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_7036587
loop_
_publ_author_name
'Wragg, Ashley B.'
'Metherell, Alexander J.'
'Cullen, William'
'Ward, Michael D.'
_publ_section_title
;
 Stepwise assembly of mixed-metal coordination cages containing both
 kinetically inert and kinetically labile metal ions: introduction of
 metal-centred redox and photophysical activity at specific sites.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17939
_journal_page_last               17949
_journal_paper_doi               10.1039/c5dt02957k
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C336 H266 Cl16 Co4 N72 O65 Os4'
_chemical_formula_weight         7915.91
_chemical_name_systematic
;
 ?
;
_chemical_properties_physical    Efflorescent
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-09-18 deposited with the CCDC.
2015-09-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   28.9579(16)
_cell_length_b                   28.9579(16)
_cell_length_c                   52.757(3)
_cell_measurement_reflns_used    56774
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.4
_cell_volume                     38313(4)
_computing_cell_refinement
;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)
;
_computing_data_collection
;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)
;
_computing_data_reduction
;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)
;
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device
;
AFC12 (Right): Kappa 3 circle
;
_diffrn_measurement_device_type
;
Rigaku Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support MiTeGen
_diffrn_radiation_monochromator  Mirrors
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1349
_diffrn_reflns_av_unetI/netI     0.0912
_diffrn_reflns_laue_measured_fraction_full 0.997
_diffrn_reflns_laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       62
_diffrn_reflns_limit_l_min       -59
_diffrn_reflns_number            84474
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_min         2.436
_diffrn_source                   'Sealed Tube'
_exptl_absorpt_coefficient_mu    1.259
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.601
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.029
_exptl_crystal_description       Block
_exptl_crystal_F_000             11970
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: MeNO2, di(isopropeyl)ether'
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.350
_refine_diff_density_min         -0.833
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.267
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     555
_refine_ls_number_reflns         14953
_refine_ls_number_restraints     576
_refine_ls_restrained_S_all      1.252
_refine_ls_R_factor_all          0.2219
_refine_ls_R_factor_gt           0.1271
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3825
_refine_ls_wR_factor_ref         0.4483
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5893
_reflns_number_total             14953
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt02957k1.cif
_cod_data_source_block           r-3_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7036586--7036588.cif.
;
_cod_original_cell_volume        38313(5)
_cod_database_code               7036587
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.940
_shelx_estimated_absorpt_t_max   0.940
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Os1 Os 0.27874(4) 0.35679(3) 0.94072(2) 0.1094(4) Uani 0.5 1 d . . P A 1
Co1 Co 0.27874(4) 0.35679(3) 0.94072(2) 0.1094(4) Uani 0.5 1 d . . P A 2
Os2 Os 0.0000 0.0000 0.82323(3) 0.1048(6) Uani 0.5 3 d S T P B 1
Co2 Co 0.0000 0.0000 0.82323(3) 0.1048(6) Uani 0.5 3 d S T P B 2
N11A N 0.2562(4) 0.4017(3) 0.96385(19) 0.133(4) Uani 1 1 d G U . . .
C12A C 0.2102(4) 0.4016(4) 0.95616(19) 0.138(5) Uani 1 1 d G U . A .
C13A C 0.1914(4) 0.4297(5) 0.9700(2) 0.154(5) Uani 1 1 d G U . A .
H13A H 0.1600 0.4296 0.9647 0.184 Uiso 1 1 calc R U . . .
C14A C 0.2185(5) 0.4578(4) 0.9915(2) 0.158(6) Uani 1 1 d G U . A .
H14A H 0.2056 0.4769 1.0010 0.190 Uiso 1 1 calc R U . . .
C15A C 0.2645(5) 0.4579(4) 0.99923(18) 0.152(5) Uani 1 1 d G U . A .
H15A H 0.2830 0.4771 1.0140 0.182 Uiso 1 1 calc R U . . .
C16A C 0.2833(4) 0.4299(4) 0.9854(2) 0.138(5) Uani 1 1 d G U . A .
H16A H 0.3147 0.4299 0.9906 0.166 Uiso 1 1 calc R U . . .
N21A N 0.1802(5) 0.3257(4) 0.89954(19) 0.161(5) Uani 1 1 d G U . . .
N22A N 0.2095(3) 0.3482(4) 0.9222(2) 0.125(3) Uani 1 1 d G U . . .
C23A C 0.1880(5) 0.3771(4) 0.93423(19) 0.129(4) Uani 1 1 d G U . . .
C24A C 0.1454(5) 0.3726(5) 0.9191(3) 0.165(6) Uani 1 1 d G U . . .
H24A H 0.1240 0.3881 0.9226 0.198 Uiso 1 1 calc R U . . .
C25A C 0.1406(5) 0.3408(6) 0.8976(2) 0.184(7) Uani 1 1 d G U . . .
H25A H 0.1153 0.3314 0.8843 0.221 Uiso 1 1 calc R U . . .
C26A C 0.1898(8) 0.2895(7) 0.8826(4) 0.164(5) Uani 1 1 d . U . . .
H26A H 0.1799 0.2923 0.8649 0.197 Uiso 1 1 calc R U . . .
H26B H 0.2281 0.3003 0.8828 0.197 Uiso 1 1 calc R U . . .
N31A N -0.0008(4) -0.0624(3) 0.80125(17) 0.124(3) Uani 1 1 d G U . . .
C32A C 0.0373(4) -0.0762(4) 0.80778(17) 0.123(4) Uani 1 1 d G U . B .
C33A C 0.0408(4) -0.1155(5) 0.7942(2) 0.155(6) Uani 1 1 d G U . B .
H33A H 0.0668 -0.1249 0.7987 0.187 Uiso 1 1 calc R U . . .
C34A C 0.0062(5) -0.1410(4) 0.7741(2) 0.182(7) Uani 1 1 d G U . B .
H34A H 0.0086 -0.1679 0.7649 0.218 Uiso 1 1 calc R U . . .
C35A C -0.0318(5) -0.1272(5) 0.76759(18) 0.173(7) Uani 1 1 d G U . B .
H35A H -0.0555 -0.1447 0.7539 0.207 Uiso 1 1 calc R U . . .
C36A C -0.0353(4) -0.0879(5) 0.7812(2) 0.141(5) Uani 1 1 d G U . B .
H36A H -0.0613 -0.0785 0.7767 0.170 Uiso 1 1 calc R U . . .
N41A N 0.0915(4) 0.0049(3) 0.86281(15) 0.120(3) Uani 1 1 d G U . . .
N42A N 0.0568(3) -0.0154(4) 0.84161(17) 0.117(3) Uani 1 1 d G U . . .
C43A C 0.0690(4) -0.0505(4) 0.82824(15) 0.123(4) Uani 1 1 d G U . . .
C44A C 0.1112(4) -0.0520(4) 0.84118(19) 0.119(4) Uani 1 1 d G U . . .
H44A H 0.1273 -0.0723 0.8364 0.143 Uiso 1 1 calc R U . . .
C45A C 0.1252(3) -0.0177(4) 0.86255(16) 0.114(4) Uani 1 1 d G U . . .
H45A H 0.1522 -0.0111 0.8746 0.137 Uiso 1 1 calc R U . . .
C46A C 0.0940(6) 0.0428(6) 0.8802(3) 0.122(4) Uani 1 1 d . U . . .
H46A H 0.1071 0.0373 0.8966 0.146 Uiso 1 1 calc R U . . .
H46B H 0.0575 0.0366 0.8829 0.146 Uiso 1 1 calc R U . . .
C51A C 0.1569(3) 0.2331(2) 0.89171(15) 0.126(4) Uani 1 1 d G U . . .
C52A C 0.1228(3) 0.2201(3) 0.91235(15) 0.134(4) Uani 1 1 d G U . . .
H52A H 0.1213 0.2475 0.9216 0.160 Uiso 1 1 calc R U . . .
C53A C 0.0910(3) 0.1672(4) 0.91951(13) 0.125(4) Uani 1 1 d G U . . .
H53A H 0.0677 0.1583 0.9336 0.150 Uiso 1 1 calc R U . . .
C54A C 0.0932(3) 0.1271(3) 0.90602(13) 0.122(4) Uani 1 1 d G U . . .
H54A H 0.0715 0.0909 0.9109 0.147 Uiso 1 1 calc R U . . .
C55A C 0.1274(2) 0.1400(2) 0.88538(11) 0.119(4) Uani 1 1 d G U . . .
C56A C 0.1592(2) 0.1930(2) 0.87823(11) 0.119(4) Uani 1 1 d G U . . .
C61A C 0.1933(3) 0.2060(3) 0.85759(14) 0.123(4) Uani 1 1 d G U . . .
H61A H 0.2151 0.2422 0.8527 0.147 Uiso 1 1 calc R U . . .
C62A C 0.1956(3) 0.1659(4) 0.84410(14) 0.155(6) Uani 1 1 d G U . . .
H62A H 0.2189 0.1747 0.8300 0.186 Uiso 1 1 calc R U . . .
C63A C 0.1638(3) 0.1129(3) 0.85126(15) 0.132(5) Uani 1 1 d G U . . .
H63A H 0.1653 0.0855 0.8420 0.159 Uiso 1 1 calc R U . . .
C64A C 0.1296(3) 0.1000(2) 0.87190(15) 0.113(4) Uani 1 1 d G U . . .
N11B N 0.3274(4) 0.4247(3) 0.91742(18) 0.127(4) Uani 1 1 d G U . . .
C12B C 0.3809(4) 0.4529(4) 0.92424(17) 0.137(5) Uani 1 1 d G U . A .
C13B C 0.4171(3) 0.4953(4) 0.9094(2) 0.158(6) Uani 1 1 d G U . A .
H13B H 0.4536 0.5146 0.9141 0.190 Uiso 1 1 calc R U . . .
C14B C 0.3997(5) 0.5095(4) 0.8878(2) 0.172(7) Uani 1 1 d G U . A .
H14B H 0.4245 0.5385 0.8776 0.206 Uiso 1 1 calc R U . . .
C15B C 0.3462(5) 0.4813(5) 0.88093(19) 0.172(7) Uani 1 1 d G U . A .
H15B H 0.3344 0.4910 0.8661 0.207 Uiso 1 1 calc R U . . .
C16B C 0.3101(4) 0.4388(4) 0.8958(2) 0.149(5) Uani 1 1 d G U . A .
H16B H 0.2735 0.4195 0.8911 0.179 Uiso 1 1 calc R U . . .
N21B N 0.3796(4) 0.3812(3) 0.97803(16) 0.126(4) Uani 1 1 d G U . . .
N22B N 0.3555(3) 0.3899(3) 0.95650(18) 0.126(4) Uani 1 1 d G U . . .
C23B C 0.3949(4) 0.4363(4) 0.94390(17) 0.118(4) Uani 1 1 d G U . . .
C24B C 0.4433(3) 0.4563(4) 0.9577(2) 0.145(5) Uani 1 1 d G U . . .
H24B H 0.4763 0.4870 0.9535 0.174 Uiso 1 1 calc R U . . .
C25B C 0.4339(4) 0.4222(4) 0.9787(2) 0.148(5) Uani 1 1 d G U . . .
H25B H 0.4594 0.4262 0.9912 0.177 Uiso 1 1 calc R U . . .
C26B C 0.3504(6) 0.3377(6) 0.9943(3) 0.120(4) Uani 1 1 d . U . . .
H26C H 0.3131 0.3304 0.9952 0.144 Uiso 1 1 calc R U . . .
H26D H 0.3657 0.3474 1.0116 0.144 Uiso 1 1 calc R U . . .
N31B N 0.2958(4) 0.3053(3) 0.91846(17) 0.116(3) Uani 1 1 d G U . . .
C32B C 0.2685(3) 0.2522(4) 0.92594(16) 0.113(4) Uani 1 1 d G U . A .
C33B C 0.2743(4) 0.2143(3) 0.9123(2) 0.130(4) Uani 1 1 d G U . A .
H33B H 0.2556 0.1780 0.9174 0.156 Uiso 1 1 calc R U . . .
C34B C 0.3073(5) 0.2296(4) 0.8911(2) 0.150(5) Uani 1 1 d G U . A .
H34B H 0.3112 0.2038 0.8818 0.180 Uiso 1 1 calc R U . . .
C35B C 0.3346(4) 0.2828(5) 0.88363(18) 0.161(6) Uani 1 1 d G U . A .
H35B H 0.3571 0.2932 0.8692 0.193 Uiso 1 1 calc R U . . .
C36B C 0.3288(4) 0.3206(3) 0.8973(2) 0.144(5) Uani 1 1 d G U . A .
H36B H 0.3474 0.3569 0.8922 0.172 Uiso 1 1 calc R U . . .
N41B N 0.2072(3) 0.2616(3) 0.98299(15) 0.116(3) Uani 1 1 d G U . . .
N42B N 0.2382(3) 0.2835(3) 0.96075(17) 0.109(3) Uani 1 1 d G U . . .
C43B C 0.2410(4) 0.2420(4) 0.94781(16) 0.108(3) Uani 1 1 d G U . . .
C44B C 0.2116(4) 0.1944(3) 0.9621(2) 0.127(4) Uani 1 1 d G U . . .
H44B H 0.2068 0.1604 0.9578 0.153 Uiso 1 1 calc R U . . .
C45B C 0.1908(3) 0.2065(3) 0.98379(17) 0.120(4) Uani 1 1 d G U . . .
H45B H 0.1695 0.1820 0.9966 0.145 Uiso 1 1 calc R U . . .
C46B C 0.1941(6) 0.2912(6) 0.9979(3) 0.124(4) Uani 1 1 d . U . . .
H46C H 0.2239 0.3285 0.9970 0.148 Uiso 1 1 calc R U . . .
H46D H 0.1925 0.2789 1.0155 0.148 Uiso 1 1 calc R U . . .
C51B C 0.3500(3) 0.2864(2) 0.98591(14) 0.110(3) Uani 1 1 d G U . . .
C52B C 0.3773(3) 0.2859(3) 0.96432(14) 0.123(4) Uani 1 1 d G U . . .
H52B H 0.3967 0.3175 0.9546 0.147 Uiso 1 1 calc R U . . .
C53B C 0.3761(3) 0.2393(4) 0.95696(12) 0.130(5) Uani 1 1 d G U . . .
H53B H 0.3948 0.2390 0.9422 0.156 Uiso 1 1 calc R U . . .
C54B C 0.3477(3) 0.1931(3) 0.97121(13) 0.118(4) Uani 1 1 d G U . . .
H54B H 0.3469 0.1612 0.9662 0.141 Uiso 1 1 calc R U . . .
C55B C 0.3204(2) 0.1935(2) 0.99280(10) 0.117(4) Uani 1 1 d G U . . .
C56B C 0.3216(2) 0.2401(2) 1.00016(10) 0.116(4) Uani 1 1 d G U . . .
C61B C 0.2943(3) 0.2406(3) 1.02175(13) 0.126(4) Uani 1 1 d G U . . .
H61B H 0.2951 0.2724 1.0268 0.151 Uiso 1 1 calc R U . . .
C62B C 0.2659(3) 0.1943(3) 1.03600(12) 0.134(5) Uani 1 1 d G U . . .
H62B H 0.2472 0.1946 1.0508 0.161 Uiso 1 1 calc R U . . .
C63B C 0.2647(3) 0.1477(3) 1.02865(14) 0.119(4) Uani 1 1 d G U . . .
H63B H 0.2453 0.1161 1.0384 0.143 Uiso 1 1 calc R U . . .
C64B C 0.2920(3) 0.1473(2) 1.00705(14) 0.108(4) Uani 1 1 d G U . . .
Cl11 Cl 0.5478(3) 0.6161(3) 0.94236(13) 0.220(3) Uiso 1 1 d D . . . .
O11 O 0.5379(8) 0.5775(7) 0.9609(3) 0.339(12) Uiso 1 1 d D . . . .
O12 O 0.6002(5) 0.6603(7) 0.9456(5) 0.392(15) Uiso 1 1 d D . . . .
O13 O 0.5435(10) 0.5950(9) 0.9181(3) 0.415(17) Uiso 1 1 d D . . . .
O14 O 0.5108(8) 0.6341(9) 0.9453(4) 0.363(13) Uiso 1 1 d D . . . .
O1S O 0.0000 0.0000 0.9308(7) 0.143(12) Uiso 0.5 3 d S . P . .
Cl21 Cl 0.0539(3) 0.3009(3) 0.84043(16) 0.243(3) Uiso 1 1 d D . . . .
O21 O 0.0305(6) 0.2616(5) 0.8591(2) 0.233(7) Uiso 1 1 d D . . . .
O22 O 0.0932(6) 0.2939(7) 0.8274(3) 0.268(8) Uiso 1 1 d D . . . .
O23 O 0.0165(6) 0.2983(8) 0.8230(3) 0.351(13) Uiso 1 1 d D . . . .
O24 O 0.0801(8) 0.3520(5) 0.8520(4) 0.376(14) Uiso 1 1 d D . . . .
Cl31 Cl 0.1475(4) 0.2067(4) 0.07111(19) 0.171(4) Uiso 0.5 1 d D . P . .
O31 O 0.1293(8) 0.1746(7) 0.0492(3) 0.178(9) Uiso 0.5 1 d D . P . .
O32 O 0.1789(6) 0.1914(7) 0.0856(3) 0.130(6) Uiso 0.5 1 d D . P . .
O33 O 0.1768(9) 0.2603(5) 0.0651(4) 0.223(12) Uiso 0.5 1 d D . P . .
O34 O 0.1021(8) 0.1965(12) 0.0857(4) 0.39(3) Uiso 0.5 1 d D . P . .
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'
Co Co 0.3494 0.9721 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -1.2165 7.6030 '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
N22B Os1 N11A 94.2(4) . .
N22B Os1 N42B 100.9(3) . .
N11A Os1 N42B 98.1(4) . .
N22B Os1 N22A 162.5(4) . .
N11A Os1 N22A 77.0(4) . .
N42B Os1 N22A 95.4(3) . .
N22B Os1 N31B 88.6(4) . .
N11A Os1 N31B 175.2(4) . .
N42B Os1 N31B 77.4(4) . .
N22A Os1 N31B 101.4(4) . .
N22B Os1 N11B 75.4(4) . .
N11A Os1 N11B 91.7(4) . .
N42B Os1 N11B 169.8(4) . .
N22A Os1 N11B 89.6(4) . .
N31B Os1 N11B 92.8(4) . .
N31A Os2 N31A 93.4(4) . 3
N31A Os2 N31A 93.4(4) . 2
N31A Os2 N31A 93.4(4) 3 2
N31A Os2 N42A 75.8(4) . .
N31A Os2 N42A 168.8(4) 3 .
N31A Os2 N42A 90.2(3) 2 .
N31A Os2 N42A 168.8(7) . 2
N31A Os2 N42A 90.1(7) 3 2
N31A Os2 N42A 75.8(7) 2 2
N42A Os2 N42A 101.1(7) . 2
N31A Os2 N42A 90.1(7) . 3
N31A Os2 N42A 75.8(8) 3 3
N31A Os2 N42A 168.8(8) 2 3
N42A Os2 N42A 101.1(7) . 3
N42A Os2 N42A 101.1(8) 2 3
C12A N11A C16A 120.0 . .
C12A N11A Os1 114.9(6) . .
C16A N11A Os1 125.1(6) . .
C23A C12A N11A 117.3(10) . .
C23A C12A C13A 122.5(10) . .
N11A C12A C13A 120.0 . .
C14A C13A C12A 120.0 . .
C14A C13A H13A 120.0 . .
C12A C13A H13A 120.0 . .
C13A C14A C15A 120.0 . .
C13A C14A H14A 120.0 . .
C15A C14A H14A 120.0 . .
C16A C15A C14A 120.0 . .
C16A C15A H15A 120.0 . .
C14A C15A H15A 120.0 . .
C15A C16A N11A 120.0 . .
C15A C16A H16A 120.0 . .
N11A C16A H16A 120.0 . .
N22A N21A C25A 108.0 . .
N22A N21A C26A 122.7(11) . .
C25A N21A C26A 129.1(11) . .
N21A N22A C23A 108.0 . .
N21A N22A Os1 138.8(7) . .
C23A N22A Os1 112.9(7) . .
C12A C23A C24A 134.4(10) . .
C12A C23A N22A 117.6(10) . .
C24A C23A N22A 108.0 . .
C23A C24A C25A 108.0 . .
C23A C24A H24A 126.0 . .
C25A C24A H24A 126.0 . .
C24A C25A N21A 108.0 . .
C24A C25A H25A 126.0 . .
N21A C25A H25A 126.0 . .
C51A C26A N21A 109.2(13) . .
C51A C26A H26A 109.8 . .
N21A C26A H26A 109.8 . .
C51A C26A H26B 109.8 . .
N21A C26A H26B 109.8 . .
H26A C26A H26B 108.3 . .
C32A N31A C36A 120.0 . .
C32A N31A Os2 115.7(6) . .
C36A N31A Os2 124.3(6) . .
C43A C32A C33A 123.2(9) . .
C43A C32A N31A 116.8(9) . .
C33A C32A N31A 120.0 . .
C34A C33A C32A 120.0 . .
C34A C33A H33A 120.0 . .
C32A C33A H33A 120.0 . .
C33A C34A C35A 120.0 . .
C33A C34A H34A 120.0 . .
C35A C34A H34A 120.0 . .
C34A C35A C36A 120.0 . .
C34A C35A H35A 120.0 . .
C36A C35A H35A 120.0 . .
C35A C36A N31A 120.0 . .
C35A C36A H36A 120.0 . .
N31A C36A H36A 120.0 . .
C46A N41A C45A 126.0(10) . .
C46A N41A N42A 125.9(10) . .
C45A N41A N42A 108.0 . .
C43A N42A N41A 108.0 . .
C43A N42A Os2 114.6(6) . .
N41A N42A Os2 136.9(6) . .
C32A C43A N42A 116.2(9) . .
C32A C43A C44A 135.7(9) . .
N42A C43A C44A 108.0 . .
C45A C44A C43A 108.0 . .
C45A C44A H44A 126.0 . .
C43A C44A H44A 126.0 . .
C44A C45A N41A 108.0 . .
C44A C45A H45A 126.0 . .
N41A C45A H45A 126.0 . .
N41A C46A C64A 114.1(10) . .
N41A C46A H46A 108.7 . .
C64A C46A H46A 108.7 . .
N41A C46A H46B 108.7 . .
C64A C46A H46B 108.7 . .
H46A C46A H46B 107.6 . .
C52A C51A C56A 120.0 . .
C52A C51A C26A 121.6(9) . .
C56A C51A C26A 118.3(9) . .
C51A C52A C53A 120.0 . .
C51A C52A H52A 120.0 . .
C53A C52A H52A 120.0 . .
C52A C53A C54A 120.0 . .
C52A C53A H53A 120.0 . .
C54A C53A H53A 120.0 . .
C55A C54A C53A 120.0 . .
C55A C54A H54A 120.0 . .
C53A C54A H54A 120.0 . .
C54A C55A C56A 120.0 . .
C54A C55A C64A 120.0 . .
C56A C55A C64A 120.0 . .
C61A C56A C55A 120.0 . .
C61A C56A C51A 120.0 . .
C55A C56A C51A 120.0 . .
C62A C61A C56A 120.0 . .
C62A C61A H61A 120.0 . .
C56A C61A H61A 120.0 . .
C61A C62A C63A 120.0 . .
C61A C62A H62A 120.0 . .
C63A C62A H62A 120.0 . .
C64A C63A C62A 120.0 . .
C64A C63A H63A 120.0 . .
C62A C63A H63A 120.0 . .
C63A C64A C55A 120.0 . .
C63A C64A C46A 121.6(7) . .
C55A C64A C46A 118.4(7) . .
C12B N11B C16B 120.0 . .
C12B N11B Os1 114.8(6) . .
C16B N11B Os1 125.0(6) . .
C23B C12B N11B 117.0(9) . .
C23B C12B C13B 122.9(9) . .
N11B C12B C13B 120.0 . .
C14B C13B C12B 120.0 . .
C14B C13B H13B 120.0 . .
C12B C13B H13B 120.0 . .
C15B C14B C13B 120.0 . .
C15B C14B H14B 120.0 . .
C13B C14B H14B 120.0 . .
C14B C15B C16B 120.0 . .
C14B C15B H15B 120.0 . .
C16B C15B H15B 120.0 . .
C15B C16B N11B 120.0 . .
C15B C16B H16B 120.0 . .
N11B C16B H16B 120.0 . .
C26B N21B N22B 121.3(9) . .
C26B N21B C25B 130.7(9) . .
N22B N21B C25B 108.0 . .
N21B N22B C23B 108.0 . .
N21B N22B Os1 137.5(5) . .
C23B N22B Os1 114.3(5) . .
C12B C23B N22B 118.4(9) . .
C12B C23B C24B 133.5(9) . .
N22B C23B C24B 108.0 . .
C25B C24B C23B 108.0 . .
C25B C24B H24B 126.0 . .
C23B C24B H24B 126.0 . .
N21B C25B C24B 108.0 . .
N21B C25B H25B 126.0 . .
C24B C25B H25B 126.0 . .
N21B C26B C51B 113.5(11) . .
N21B C26B H26C 108.9 . .
C51B C26B H26C 108.9 . .
N21B C26B H26D 108.9 . .
C51B C26B H26D 108.9 . .
H26C C26B H26D 107.7 . .
C32B N31B C36B 120.0 . .
C32B N31B Os1 114.5(6) . .
C36B N31B Os1 125.4(6) . .
C43B C32B N31B 115.5(8) . .
C43B C32B C33B 124.2(8) . .
N31B C32B C33B 120.0 . .
C34B C33B C32B 120.0 . .
C34B C33B H33B 120.0 . .
C32B C33B H33B 120.0 . .
C33B C34B C35B 120.0 . .
C33B C34B H34B 120.0 . .
C35B C34B H34B 120.0 . .
C36B C35B C34B 120.0 . .
C36B C35B H35B 120.0 . .
C34B C35B H35B 120.0 . .
C35B C36B N31B 120.0 . .
C35B C36B H36B 120.0 . .
N31B C36B H36B 120.0 . .
C46B N41B C45B 130.9(10) . .
C46B N41B N42B 120.8(10) . .
C45B N41B N42B 108.0 . .
C43B N42B N41B 108.0 . .
C43B N42B Os1 111.7(5) . .
N41B N42B Os1 140.3(5) . .
C32B C43B N42B 120.3(8) . .
C32B C43B C44B 131.7(8) . .
N42B C43B C44B 108.0 . .
C45B C44B C43B 108.0 . .
C45B C44B H44B 126.0 . .
C43B C44B H44B 126.0 . .
C44B C45B N41B 108.0 . .
C44B C45B H45B 126.0 . .
N41B C45B H45B 126.0 . .
N41B C46B C64B 119.6(13) . 12_557
N41B C46B H46C 107.4 . .
C64B C46B H46C 107.4 12_557 .
N41B C46B H46D 107.4 . .
C64B C46B H46D 107.4 12_557 .
H46C C46B H46D 107.0 . .
C52B C51B C56B 120.0 . .
C52B C51B C26B 120.8(7) . .
C56B C51B C26B 119.2(7) . .
C53B C52B C51B 120.0 . .
C53B C52B H52B 120.0 . .
C51B C52B H52B 120.0 . .
C52B C53B C54B 120.0 . .
C52B C53B H53B 120.0 . .
C54B C53B H53B 120.0 . .
C53B C54B C55B 120.0 . .
C53B C54B H54B 120.0 . .
C55B C54B H54B 120.0 . .
C56B C55B C54B 120.0 . .
C56B C55B C64B 120.0 . .
C54B C55B C64B 120.0 . .
C61B C56B C55B 120.0 . .
C61B C56B C51B 120.0 . .
C55B C56B C51B 120.0 . .
C62B C61B C56B 120.0 . .
C62B C61B H61B 120.0 . .
C56B C61B H61B 120.0 . .
C61B C62B C63B 120.0 . .
C61B C62B H62B 120.0 . .
C63B C62B H62B 120.0 . .
C64B C63B C62B 120.0 . .
C64B C63B H63B 120.0 . .
C62B C63B H63B 120.0 . .
C63B C64B C55B 120.0 . .
C63B C64B C46B 115.2(7) . 11_557
C55B C64B C46B 124.6(7) . 11_557
O13 Cl11 O11 110.6(8) . .
O13 Cl11 O14 110.0(8) . .
O11 Cl11 O14 109.0(8) . .
O13 Cl11 O12 109.0(8) . .
O11 Cl11 O12 109.6(8) . .
O14 Cl11 O12 108.6(8) . .
O23 Cl21 O21 111.9(8) . .
O23 Cl21 O24 109.6(8) . .
O21 Cl21 O24 109.6(8) . .
O23 Cl21 O22 109.1(8) . .
O21 Cl21 O22 108.7(7) . .
O24 Cl21 O22 107.8(8) . .
O33 Cl31 O31 111.7(8) . .
O33 Cl31 O32 110.2(8) . .
O31 Cl31 O32 108.8(8) . .
O33 Cl31 O34 110.0(8) . .
O31 Cl31 O34 107.8(8) . .
O32 Cl31 O34 108.3(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Os1 N22B 2.103(7) .
Os1 N11A 2.112(8) .
Os1 N42B 2.122(7) .
Os1 N22A 2.131(8) .
Os1 N31B 2.140(7) .
Os1 N11B 2.142(8) .
Os2 N31A 2.139(8) .
Os2 N31A 2.139(8) 3
Os2 N31A 2.139(8) 2
Os2 N42A 2.139(7) .
Os2 N42A 2.139(16) 2
Os2 N42A 2.139(15) 3
N11A C12A 1.3900 .
N11A C16A 1.3900 .
C12A C23A 1.341(12) .
C12A C13A 1.3900 .
C13A C14A 1.3900 .
C13A H13A 0.9500 .
C14A C15A 1.3900 .
C14A H14A 0.9500 .
C15A C16A 1.3900 .
C15A H15A 0.9500 .
C16A H16A 0.9500 .
N21A N22A 1.4200 .
N21A C25A 1.4200 .
N21A C26A 1.509(19) .
N22A C23A 1.4200 .
C23A C24A 1.4200 .
C24A C25A 1.4200 .
C24A H24A 0.9500 .
C25A H25A 0.9500 .
C26A C51A 1.502(18) .
C26A H26A 0.9900 .
C26A H26B 0.9900 .
N31A C32A 1.3900 .
N31A C36A 1.3900 .
C32A C43A 1.371(10) .
C32A C33A 1.3900 .
C33A C34A 1.3900 .
C33A H33A 0.9500 .
C34A C35A 1.3900 .
C34A H34A 0.9500 .
C35A C36A 1.3900 .
C35A H35A 0.9500 .
C36A H36A 0.9500 .
N41A C46A 1.403(15) .
N41A C45A 1.4200 .
N41A N42A 1.4200 .
N42A C43A 1.4200 .
C43A C44A 1.4200 .
C44A C45A 1.4200 .
C44A H44A 0.9500 .
C45A H45A 0.9500 .
C46A C64A 1.514(15) .
C46A H46A 0.9900 .
C46A H46B 0.9900 .
C51A C52A 1.3900 .
C51A C56A 1.3900 .
C52A C53A 1.3900 .
C52A H52A 0.9500 .
C53A C54A 1.3900 .
C53A H53A 0.9500 .
C54A C55A 1.3900 .
C54A H54A 0.9500 .
C55A C56A 1.3900 .
C55A C64A 1.3900 .
C56A C61A 1.3900 .
C61A C62A 1.3900 .
C61A H61A 0.9500 .
C62A C63A 1.3900 .
C62A H62A 0.9500 .
C63A C64A 1.3900 .
C63A H63A 0.9500 .
N11B C12B 1.3900 .
N11B C16B 1.3900 .
C12B C23B 1.291(10) .
C12B C13B 1.3900 .
C13B C14B 1.3900 .
C13B H13B 0.9500 .
C14B C15B 1.3900 .
C14B H14B 0.9500 .
C15B C16B 1.3900 .
C15B H15B 0.9500 .
C16B H16B 0.9500 .
N21B C26B 1.405(15) .
N21B N22B 1.4200 .
N21B C25B 1.4200 .
N22B C23B 1.4200 .
C23B C24B 1.4200 .
C24B C25B 1.4200 .
C24B H24B 0.9500 .
C25B H25B 0.9500 .
C26B C51B 1.546(15) .
C26B H26C 0.9900 .
C26B H26D 0.9900 .
N31B C32B 1.3900 .
N31B C36B 1.3900 .
C32B C43B 1.349(10) .
C32B C33B 1.3900 .
C33B C34B 1.3900 .
C33B H33B 0.9500 .
C34B C35B 1.3900 .
C34B H34B 0.9500 .
C35B C36B 1.3900 .
C35B H35B 0.9500 .
C36B H36B 0.9500 .
N41B C46B 1.347(15) .
N41B C45B 1.4200 .
N41B N42B 1.4200 .
N42B C43B 1.4200 .
C43B C44B 1.4200 .
C44B C45B 1.4200 .
C44B H44B 0.9500 .
C45B H45B 0.9500 .
C46B C64B 1.46(2) 12_557
C46B H46C 0.9900 .
C46B H46D 0.9900 .
C51B C52B 1.3900 .
C51B C56B 1.3900 .
C52B C53B 1.3900 .
C52B H52B 0.9500 .
C53B C54B 1.3900 .
C53B H53B 0.9500 .
C54B C55B 1.3900 .
C54B H54B 0.9500 .
C55B C56B 1.3900 .
C55B C64B 1.3900 .
C56B C61B 1.3900 .
C61B C62B 1.3900 .
C61B H61B 0.9500 .
C62B C63B 1.3900 .
C62B H62B 0.9500 .
C63B C64B 1.3900 .
C63B H63B 0.9500 .
C64B C46B 1.465(15) 11_557
Cl11 O13 1.398(8) .
Cl11 O11 1.402(8) .
Cl11 O14 1.416(8) .
Cl11 O12 1.422(9) .
Cl21 O23 1.394(8) .
Cl21 O21 1.395(8) .
Cl21 O24 1.419(8) .
Cl21 O22 1.428(8) .
Cl31 O33 1.382(8) .
Cl31 O31 1.411(8) .
Cl31 O32 1.417(8) .
Cl31 O34 1.421(8) .
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_4
C16A N11A C12A C23A 175.2(11) .
Os1 N11A C12A C23A -5.1(9) .
C16A N11A C12A C13A 0.0 .
Os1 N11A C12A C13A 179.7(6) .
C23A C12A C13A C14A -174.9(11) .
N11A C12A C13A C14A 0.0 .
C12A C13A C14A C15A 0.0 .
C13A C14A C15A C16A 0.0 .
C14A C15A C16A N11A 0.0 .
C12A N11A C16A C15A 0.0 .
Os1 N11A C16A C15A -179.7(7) .
C25A N21A N22A C23A 0.0 .
C26A N21A N22A C23A -176.3(13) .
C25A N21A N22A Os1 -172.4(10) .
C26A N21A N22A Os1 11.3(16) .
N11A C12A C23A C24A -173.0(8) .
C13A C12A C23A C24A 2.1(15) .
N11A C12A C23A N22A 7.1(12) .
C13A C12A C23A N22A -177.9(6) .
N21A N22A C23A C12A 180.0(12) .
Os1 N22A C23A C12A -5.4(11) .
N21A N22A C23A C24A 0.0 .
Os1 N22A C23A C24A 174.6(7) .
C12A C23A C24A C25A -180.0(14) .
N22A C23A C24A C25A 0.0 .
C23A C24A C25A N21A 0.0 .
N22A N21A C25A C24A 0.0 .
C26A N21A C25A C24A 176.0(14) .
N22A N21A C26A C51A 87.0(15) .
C25A N21A C26A C51A -88.5(15) .
C36A N31A C32A C43A -178.2(10) .
Os2 N31A C32A C43A 3.3(9) .
C36A N31A C32A C33A 0.0 .
Os2 N31A C32A C33A -178.5(6) .
C43A C32A C33A C34A 178.0(10) .
N31A C32A C33A C34A 0.0 .
C32A C33A C34A C35A 0.0 .
C33A C34A C35A C36A 0.0 .
C34A C35A C36A N31A 0.0 .
C32A N31A C36A C35A 0.0 .
Os2 N31A C36A C35A 178.4(7) .
C46A N41A N42A C43A 176.9(11) .
C45A N41A N42A C43A 0.0 .
C46A N41A N42A Os2 5.7(13) .
C45A N41A N42A Os2 -171.2(8) .
C33A C32A C43A N42A -173.7(6) .
N31A C32A C43A N42A 4.4(11) .
C33A C32A C43A C44A 1.7(14) .
N31A C32A C43A C44A 179.8(7) .
N41A N42A C43A C32A 176.7(10) .
Os2 N42A C43A C32A -9.9(9) .
N41A N42A C43A C44A 0.0 .
Os2 N42A C43A C44A 173.4(6) .
C32A C43A C44A C45A -175.7(13) .
N42A C43A C44A C45A 0.0 .
C43A C44A C45A N41A 0.0 .
C46A N41A C45A C44A -176.9(11) .
N42A N41A C45A C44A 0.0 .
C45A N41A C46A C64A 91.0(13) .
N42A N41A C46A C64A -85.4(13) .
N21A C26A C51A C52A 1.8(17) .
N21A C26A C51A C56A 178.6(9) .
C56A C51A C52A C53A 0.0 .
C26A C51A C52A C53A 176.8(11) .
C51A C52A C53A C54A 0.0 .
C52A C53A C54A C55A 0.0 .
C53A C54A C55A C56A 0.0 .
C53A C54A C55A C64A 180.0 .
C54A C55A C56A C61A 180.0 .
C64A C55A C56A C61A 0.0 .
C54A C55A C56A C51A 0.0 .
C64A C55A C56A C51A 180.0 .
C52A C51A C56A C61A 180.0 .
C26A C51A C56A C61A 3.1(10) .
C52A C51A C56A C55A 0.0 .
C26A C51A C56A C55A -176.9(10) .
C55A C56A C61A C62A 0.0 .
C51A C56A C61A C62A 180.0 .
C56A C61A C62A C63A 0.0 .
C61A C62A C63A C64A 0.0 .
C62A C63A C64A C55A 0.0 .
C62A C63A C64A C46A 179.5(9) .
C54A C55A C64A C63A 180.0 .
C56A C55A C64A C63A 0.0 .
C54A C55A C64A C46A 0.5(9) .
C56A C55A C64A C46A -179.5(9) .
N41A C46A C64A C63A -10.9(15) .
N41A C46A C64A C55A 168.6(8) .
C16B N11B C12B C23B -177.0(11) .
Os1 N11B C12B C23B -1.8(10) .
C16B N11B C12B C13B 0.0 .
Os1 N11B C12B C13B 175.2(7) .
C23B C12B C13B C14B 176.8(12) .
N11B C12B C13B C14B 0.0 .
C12B C13B C14B C15B 0.0 .
C13B C14B C15B C16B 0.0 .
C14B C15B C16B N11B 0.0 .
C12B N11B C16B C15B 0.0 .
Os1 N11B C16B C15B -174.7(7) .
C26B N21B N22B C23B -179.7(12) .
C25B N21B N22B C23B 0.0 .
C26B N21B N22B Os1 6.1(14) .
C25B N21B N22B Os1 -174.2(10) .
N11B C12B C23B N22B 2.1(13) .
C13B C12B C23B N22B -174.8(7) .
N11B C12B C23B C24B -174.1(8) .
C13B C12B C23B C24B 9.0(16) .
N21B N22B C23B C12B -177.1(12) .
Os1 N22B C23B C12B -1.4(11) .
N21B N22B C23B C24B 0.0 .
Os1 N22B C23B C24B 175.7(8) .
C12B C23B C24B C25B 176.5(14) .
N22B C23B C24B C25B 0.0 .
C26B N21B C25B C24B 179.7(13) .
N22B N21B C25B C24B 0.0 .
C23B C24B C25B N21B 0.0 .
N22B N21B C26B C51B 87.6(13) .
C25B N21B C26B C51B -92.1(13) .
C36B N31B C32B C43B 174.8(9) .
Os1 N31B C32B C43B -8.1(8) .
C36B N31B C32B C33B 0.0 .
Os1 N31B C32B C33B 177.0(6) .
C43B C32B C33B C34B -174.4(10) .
N31B C32B C33B C34B 0.0 .
C32B C33B C34B C35B 0.0 .
C33B C34B C35B C36B 0.0 .
C34B C35B C36B N31B 0.0 .
C32B N31B C36B C35B 0.0 .
Os1 N31B C36B C35B -176.7(6) .
C46B N41B N42B C43B -174.3(11) .
C45B N41B N42B C43B 0.0 .
C46B N41B N42B Os1 3.2(13) .
C45B N41B N42B Os1 177.5(8) .
N31B C32B C43B N42B 4.1(11) .
C33B C32B C43B N42B 178.7(6) .
N31B C32B C43B C44B -175.5(7) .
C33B C32B C43B C44B -0.9(12) .
N41B N42B C43B C32B -179.7(10) .
Os1 N42B C43B C32B 2.0(9) .
N41B N42B C43B C44B 0.0 .
Os1 N42B C43B C44B -178.3(6) .
C32B C43B C44B C45B 179.7(11) .
N42B C43B C44B C45B 0.0 .
C43B C44B C45B N41B 0.0 .
C46B N41B C45B C44B 173.6(13) .
N42B N41B C45B C44B 0.0 .
C45B N41B C46B C64B -83.0(18) 12_557
N42B N41B C46B C64B 89.8(16) 12_557
N21B C26B C51B C52B 0.8(14) .
N21B C26B C51B C56B -178.8(8) .
C56B C51B C52B C53B 0.0 .
C26B C51B C52B C53B -179.5(9) .
C51B C52B C53B C54B 0.0 .
C52B C53B C54B C55B 0.0 .
C53B C54B C55B C56B 0.0 .
C53B C54B C55B C64B 180.0 .
C54B C55B C56B C61B 180.0 .
C64B C55B C56B C61B 0.0 .
C54B C55B C56B C51B 0.0 .
C64B C55B C56B C51B 180.0 .
C52B C51B C56B C61B 180.0 .
C26B C51B C56B C61B -0.5(9) .
C52B C51B C56B C55B 0.0 .
C26B C51B C56B C55B 179.5(9) .
C55B C56B C61B C62B 0.0 .
C51B C56B C61B C62B 180.0 .
C56B C61B C62B C63B 0.0 .
C61B C62B C63B C64B 0.0 .
C62B C63B C64B C55B 0.0 .
C62B C63B C64B C46B 175.8(9) 11_557
C56B C55B C64B C63B 0.0 .
C54B C55B C64B C63B 180.0 .
C56B C55B C64B C46B -175.4(10) 11_557
C54B C55B C64B C46B 4.6(10) 11_557
