#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:33:23 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180044 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/38/7033888.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_7033888
loop_
_publ_author_name
'So, Yat-Ming'
'Chiu, Wai-Hang'
'Cheung, Wai-Man'
'Ng, Ho-Yuen'
'Lee, Hung Kay'
'Sung, Herman H.-Y.'
'Williams, Ian D.'
'Leung, Wa-Hung'
_publ_section_title
;
 Heterobimetallic rhenium nitrido complexes containing the Kläui
 tripodal ligand [Co(η(5)-C5H5){P(O)(OEt)2}3](.).
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5479
_journal_page_last               5487
_journal_paper_doi               10.1039/c5dt00093a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety
'C39 H56 Cl Co N O13 P4 Re Rh, 2(C H2 Cl2), F6 P'
_chemical_formula_sum            'C41 H60 Cl5 Co F6 N O13 P5 Re Rh'
_chemical_formula_weight         1569.04
_chemical_name_systematic
;
 ? 
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2014-04-02
_audit_creation_method
;
  Olex2 1.2-beta
  (compiled May  9 2012 12:37:22, GUI svn.r4230)
;
_audit_update_record
;
2014-06-25 deposited with the CCDC.
2015-02-03 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 97.1682(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.1611(2)
_cell_length_b                   14.3726(3)
_cell_length_c                   32.8546(6)
_cell_measurement_reflns_used    6809
_cell_measurement_temperature    100.0(2)
_cell_measurement_theta_max      74.8500
_cell_measurement_theta_min      4.8400
_cell_volume                     5697.66(19)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      100.0(2)
_diffrn_detector_area_resol_mean 10.3587
_diffrn_measured_fraction_theta_full 0.9957
_diffrn_measured_fraction_theta_max 0.9615
_diffrn_measurement_details
;
  1 omega   26.00  108.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ frames
    -      110.5703  -94.0000 -120.0000 82

  2 omega  -44.00   35.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.9453   37.0000    0.0000 79

  3 omega -115.00  -16.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.9453  -57.0000 -150.0000 99

  4 omega   80.00  178.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ frames
    -      110.5703   30.0000   30.0000 98

  5 omega   49.00   95.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ frames
    -      110.5703  -45.0000  120.0000 46

  6 omega  102.00  178.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ frames
    -      110.5703  111.0000  -60.0000 76

  7 omega   55.00   89.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ frames
    -      110.5703  -30.0000 -180.0000 34

  8 omega   36.00   98.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ frames
    -      110.5703  -45.0000 -120.0000 62

  9 omega -115.00  -11.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -40.9453  -57.0000  -30.0000 104

 10 omega    1.00   83.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       40.9453  -99.0000   90.0000 82

 11 omega   83.00  145.00   1.0000    7.0000
omega____ theta____ kappa____ phi______ frames
    -      110.5703   45.0000 -120.0000 62
;
_diffrn_measurement_device       'kappa diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0590882000
_diffrn_orient_matrix_UB_12      -0.0547296000
_diffrn_orient_matrix_UB_13      -0.0312873000
_diffrn_orient_matrix_UB_21      -0.1016122000
_diffrn_orient_matrix_UB_22      0.0133708000
_diffrn_orient_matrix_UB_23      -0.0325301000
_diffrn_orient_matrix_UB_31      0.0500957000
_diffrn_orient_matrix_UB_32      0.0911146000
_diffrn_orient_matrix_UB_33      -0.0139922000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0673
_diffrn_reflns_av_unetI/netI     0.0855
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            24314
_diffrn_reflns_theta_full        66.50
_diffrn_reflns_theta_max         67.50
_diffrn_reflns_theta_min         4.06
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           0.80
_diffrn_source_power             0.040
_diffrn_source_target            Cu
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    12.801
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70603
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.829
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3112
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         3.883
_refine_diff_density_min         -1.539
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     682
_refine_ls_number_reflns         10113
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0726
_refine_ls_R_factor_gt           0.0505
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0501P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1116
_refine_ls_wR_factor_ref         0.1214
_reflns_number_gt                7739
_reflns_number_total             10113
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00093a1.cif
_cod_data_source_block           so80a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 7033885--7033890.cif.
;
_cod_original_cell_volume        5697.70(18)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7033888
#BEGIN Tags that were not found in dictionaries:
_reflns_odcompleteness_completeness 99.57
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Re1 Re 0.53453(2) 0.20918(2) 0.084237(9) 0.01680(9) Uani 1 1 d . . .
Rh1 Rh 0.50784(4) 0.42694(3) 0.018094(15) 0.01980(12) Uani 1 1 d . . .
Co1 Co 0.34483(10) 0.13542(8) 0.17172(3) 0.0206(2) Uani 1 1 d . A .
Cl1 Cl 0.56542(14) 0.09619(11) 0.03702(5) 0.0233(3) Uani 1 1 d . . .
P1 P 0.28632(14) 0.17579(13) 0.10975(5) 0.0212(4) Uani 1 1 d . . .
P2 P 0.46368(17) 0.24662(14) 0.17618(6) 0.0269(4) Uani 1 1 d . . .
P3 P 0.47326(14) 0.04818(12) 0.15281(5) 0.0192(4) Uani 1 1 d . . .
P4 P 0.73914(15) 0.23694(13) 0.09827(5) 0.0205(4) Uani 1 1 d . . .
O1 O 0.1807(4) 0.1219(4) 0.08777(15) 0.0249(11) Uani 1 1 d . . .
O2 O 0.2391(4) 0.2782(4) 0.11061(16) 0.0267(11) Uani 1 1 d . . .
O3 O 0.4432(9) 0.3381(7) 0.1996(3) 0.021(2) Uani 0.60 1 d P A 1
O3A O 0.3900(13) 0.3410(10) 0.1884(5) 0.022(3) Uani 0.40 1 d P A 2
O4 O 0.5692(5) 0.2188(6) 0.20732(18) 0.058(2) Uani 1 1 d . A .
O5 O 0.5410(5) -0.0018(4) 0.19125(17) 0.0386(14) Uani 1 1 d . A .
O6 O 0.4142(4) -0.0368(4) 0.12745(16) 0.0275(11) Uani 1 1 d . A .
O7 O 0.3722(3) 0.1714(3) 0.07888(14) 0.0192(10) Uani 1 1 d . . .
O8 O 0.5050(4) 0.2785(3) 0.13557(15) 0.0245(11) Uani 1 1 d . A .
O9 O 0.5569(4) 0.0940(3) 0.12826(13) 0.0198(10) Uani 1 1 d . A .
O11 O 0.4691(4) 0.4941(4) 0.06859(15) 0.0257(11) Uani 1 1 d . . .
O12 O 0.4556(4) 0.6317(3) 0.03504(15) 0.0264(11) Uani 1 1 d . . .
O13 O 0.3432(4) 0.4061(3) -0.00045(15) 0.0250(11) Uani 1 1 d . . .
O14 O 0.3294(4) 0.5426(3) -0.03441(15) 0.0235(11) Uani 1 1 d . . .
N1 N 0.5250(4) 0.3013(4) 0.05247(18) 0.0223(13) Uani 1 1 d . . .
C1 C 0.2766(8) 0.1774(6) 0.2235(3) 0.038(2) Uani 1 1 d U . .
H1 H 0.2896 0.2354 0.2371 0.045 Uiso 1 1 calc R A .
C2 C 0.3379(7) 0.0955(8) 0.2318(3) 0.046(2) Uani 1 1 d U A .
H2 H 0.4007 0.0885 0.2518 0.055 Uiso 1 1 calc R . .
C3 C 0.2913(10) 0.0267(7) 0.2058(4) 0.056(3) Uani 1 1 d U . .
H3 H 0.3165 -0.0358 0.2052 0.067 Uiso 1 1 calc R A .
C4 C 0.2040(9) 0.0626(8) 0.1813(3) 0.051(3) Uani 1 1 d U A .
H4 H 0.1580 0.0294 0.1607 0.061 Uiso 1 1 calc R . .
C5 C 0.1921(7) 0.1576(8) 0.1912(3) 0.045(2) Uani 1 1 d U A .
H5 H 0.1379 0.1997 0.1785 0.054 Uiso 1 1 calc R . .
C6 C 0.4520(6) 0.5803(5) 0.0665(2) 0.0265(16) Uani 1 1 d . . .
C7 C 0.4204(8) 0.6279(6) 0.1049(2) 0.0351(19) Uani 1 1 d . . .
H7A H 0.3598 0.5935 0.1151 0.053 Uiso 1 1 calc R . .
H7B H 0.3964 0.6918 0.0983 0.053 Uiso 1 1 calc R . .
H7C H 0.4847 0.6289 0.1261 0.053 Uiso 1 1 calc R . .
C8 C 0.2885(6) 0.4679(6) -0.0220(2) 0.0273(16) Uani 1 1 d . . .
C9 C 0.1690(6) 0.4509(6) -0.0354(2) 0.0348(19) Uani 1 1 d . . .
H9A H 0.1586 0.4334 -0.0644 0.052 Uiso 1 1 calc R . .
H9B H 0.1269 0.5077 -0.0316 0.052 Uiso 1 1 calc R . .
H9C H 0.1426 0.4006 -0.0190 0.052 Uiso 1 1 calc R . .
C11 C 0.1903(6) 0.0256(6) 0.0739(2) 0.0304(17) Uani 1 1 d . . .
H11A H 0.2193 -0.0145 0.0973 0.036 Uiso 1 1 calc R . .
H11B H 0.2422 0.0223 0.0530 0.036 Uiso 1 1 calc R . .
C12 C 0.0776(7) -0.0074(7) 0.0559(3) 0.048(2) Uani 1 1 d . . .
H12A H 0.0459 0.0367 0.0349 0.072 Uiso 1 1 calc R . .
H12B H 0.0294 -0.0116 0.0776 0.072 Uiso 1 1 calc R . .
H12C H 0.0840 -0.0688 0.0435 0.072 Uiso 1 1 calc R . .
C13 C 0.2414(7) 0.3426(6) 0.0768(2) 0.0309(17) Uani 1 1 d . . .
H13A H 0.2151 0.3110 0.0506 0.037 Uiso 1 1 calc R . .
H13B H 0.3183 0.3642 0.0756 0.037 Uiso 1 1 calc R . .
C14 C 0.1684(7) 0.4239(7) 0.0828(3) 0.042(2) Uani 1 1 d . . .
H14A H 0.1741 0.4698 0.0610 0.064 Uiso 1 1 calc R . .
H14B H 0.1918 0.4524 0.1095 0.064 Uiso 1 1 calc R . .
H14C H 0.0914 0.4029 0.0816 0.064 Uiso 1 1 calc R . .
C15 C 0.3718(12) 0.4093(9) 0.1810(4) 0.033(3) Uiso 0.60 1 d PD A 1
H15A H 0.2943 0.3865 0.1767 0.039 Uiso 0.60 1 calc PR A 1
H15B H 0.3940 0.4265 0.1540 0.039 Uiso 0.60 1 calc PR A 1
C15A C 0.4435(17) 0.4291(13) 0.1876(6) 0.035(5) Uiso 0.40 1 d PD A 2
H15C H 0.4447 0.4500 0.1589 0.042 Uiso 0.40 1 calc PR A 2
H15D H 0.5208 0.4248 0.2010 0.042 Uiso 0.40 1 calc PR A 2
C16 C 0.3804(9) 0.4946(6) 0.2096(3) 0.051(2) Uani 1 1 d D . .
H16A H 0.3568 0.4765 0.2359 0.077 Uiso 0.60 1 d PR A 1
H16B H 0.4573 0.5166 0.2140 0.077 Uiso 0.60 1 d PR A 1
H16C H 0.3324 0.5445 0.1973 0.077 Uiso 0.60 1 d PR A 1
H16D H 0.3041 0.4978 0.1960 0.077 Uiso 0.40 1 d PR A 2
H16E H 0.3803 0.4730 0.2379 0.077 Uiso 0.40 1 d PR A 2
H16F H 0.4142 0.5565 0.2097 0.077 Uiso 0.40 1 d PR A 2
C17 C 0.6581(12) 0.2689(11) 0.2295(4) 0.084(4) Uani 1 1 d . . .
H17A H 0.7290 0.2373 0.2266 0.101 Uiso 1 1 calc R A .
H17B H 0.6613 0.3323 0.2179 0.101 Uiso 1 1 calc R . .
C18 C 0.6443(11) 0.2750(9) 0.2716(3) 0.069(4) Uani 1 1 d . A .
H18A H 0.5675 0.2922 0.2742 0.104 Uiso 1 1 calc R . .
H18B H 0.6945 0.3224 0.2848 0.104 Uiso 1 1 calc R . .
H18C H 0.6612 0.2147 0.2848 0.104 Uiso 1 1 calc R . .
C19 C 0.6580(6) -0.0046(6) 0.1998(2) 0.0274(16) Uani 1 1 d . . .
H19A H 0.6904 0.0496 0.1870 0.033 Uiso 1 1 calc R A .
H19B H 0.6865 -0.0619 0.1880 0.033 Uiso 1 1 calc R . .
C20 C 0.6912(7) -0.0029(6) 0.2454(2) 0.038(2) Uani 1 1 d . A .
H20A H 0.7722 -0.0032 0.2512 0.057 Uiso 1 1 calc R . .
H20B H 0.6612 -0.0579 0.2578 0.057 Uiso 1 1 calc R . .
H20C H 0.6619 0.0534 0.2569 0.057 Uiso 1 1 calc R . .
C21 C 0.4783(7) -0.1018(5) 0.1064(2) 0.0304(17) Uani 1 1 d . . .
H21A H 0.5015 -0.1553 0.1244 0.037 Uiso 1 1 calc R A .
H21B H 0.5455 -0.0711 0.0987 0.037 Uiso 1 1 calc R . .
C22 C 0.4064(8) -0.1338(6) 0.0691(3) 0.038(2) Uani 1 1 d . A .
H22A H 0.3929 -0.0820 0.0498 0.057 Uiso 1 1 calc R . .
H22B H 0.3357 -0.1561 0.0768 0.057 Uiso 1 1 calc R . .
H22C H 0.4433 -0.1846 0.0562 0.057 Uiso 1 1 calc R . .
C31 C 0.7770(6) 0.3495(5) 0.1220(2) 0.0228(15) Uani 1 1 d . . .
C32 C 0.6977(6) 0.4158(5) 0.1267(2) 0.0237(15) Uani 1 1 d . . .
H32 H 0.6213 0.4014 0.1202 0.028 Uiso 1 1 calc R . .
C33 C 0.7302(7) 0.5045(6) 0.1410(2) 0.0304(17) Uani 1 1 d . . .
H33 H 0.6751 0.5497 0.1445 0.036 Uiso 1 1 calc R . .
C34 C 0.8399(7) 0.5275(6) 0.1501(2) 0.0332(18) Uani 1 1 d . . .
H34 H 0.8608 0.5884 0.1593 0.040 Uiso 1 1 calc R . .
C35 C 0.9206(7) 0.4604(6) 0.1457(2) 0.0331(18) Uani 1 1 d . . .
H35 H 0.9968 0.4757 0.1523 0.040 Uiso 1 1 calc R . .
C36 C 0.8907(7) 0.3715(6) 0.1318(2) 0.0299(17) Uani 1 1 d . . .
H36 H 0.9460 0.3261 0.1289 0.036 Uiso 1 1 calc R . .
C41 C 0.8110(6) 0.2369(5) 0.0527(2) 0.0227(15) Uani 1 1 d . . .
C42 C 0.7587(6) 0.2658(5) 0.0147(2) 0.0212(15) Uani 1 1 d . . .
H42 H 0.6814 0.2782 0.0116 0.025 Uiso 1 1 calc R . .
C43 C 0.8167(6) 0.2769(5) -0.0183(2) 0.0272(16) Uani 1 1 d . . .
H43 H 0.7789 0.2968 -0.0439 0.033 Uiso 1 1 calc R . .
C44 C 0.9295(6) 0.2595(5) -0.0147(2) 0.0271(16) Uani 1 1 d . . .
H44 H 0.9701 0.2685 -0.0373 0.033 Uiso 1 1 calc R . .
C45 C 0.9821(6) 0.2281(6) 0.0232(2) 0.0330(18) Uani 1 1 d . . .
H45 H 1.0591 0.2141 0.0260 0.040 Uiso 1 1 calc R . .
C46 C 0.9244(6) 0.2171(5) 0.0567(2) 0.0276(16) Uani 1 1 d . . .
H46 H 0.9616 0.1963 0.0822 0.033 Uiso 1 1 calc R . .
C51 C 0.8099(6) 0.1480(6) 0.1307(2) 0.0264(16) Uani 1 1 d . . .
C52 C 0.8609(6) 0.1638(6) 0.1697(2) 0.0293(17) Uani 1 1 d . . .
H52 H 0.8571 0.2241 0.1813 0.035 Uiso 1 1 calc R . .
C53 C 0.9177(6) 0.0942(6) 0.1925(3) 0.0333(19) Uani 1 1 d . . .
H53 H 0.9520 0.1067 0.2195 0.040 Uiso 1 1 calc R . .
C54 C 0.9246(6) 0.0062(6) 0.1758(2) 0.0319(18) Uani 1 1 d . . .
H54 H 0.9649 -0.0416 0.1911 0.038 Uiso 1 1 calc R . .
C55 C 0.8721(6) -0.0117(6) 0.1366(2) 0.0316(18) Uani 1 1 d . . .
H55 H 0.8760 -0.0721 0.1252 0.038 Uiso 1 1 calc R . .
C56 C 0.8146(6) 0.0572(6) 0.1143(2) 0.0275(17) Uani 1 1 d . . .
H56 H 0.7778 0.0440 0.0877 0.033 Uiso 1 1 calc R . .
C1S C 0.3215(8) 0.1943(7) -0.0369(3) 0.046(2) Uani 1 1 d . . .
H1SA H 0.3877 0.1536 -0.0346 0.055 Uiso 1 1 calc R . .
H1SB H 0.3343 0.2434 -0.0157 0.055 Uiso 1 1 calc R . .
Cl1S Cl 0.2035(2) 0.1280(2) -0.02878(9) 0.0671(8) Uani 1 1 d . . .
Cl2S Cl 0.3012(2) 0.24643(19) -0.08650(8) 0.0541(6) Uani 1 1 d . . .
C2S C 0.4433(9) 0.7851(7) 0.2134(3) 0.054(3) Uani 1 1 d . . .
H2SA H 0.3803 0.7410 0.2107 0.064 Uiso 1 1 calc R . .
H2SB H 0.4269 0.8343 0.1924 0.064 Uiso 1 1 calc R . .
Cl3S Cl 0.4572(3) 0.8362(2) 0.26289(8) 0.0638(8) Uani 1 1 d . . .
Cl4S Cl 0.5618(2) 0.7270(2) 0.20452(9) 0.0680(8) Uani 1 1 d . . .
P1S P 0.36875(19) 0.24600(18) 0.34634(6) 0.0369(5) Uani 1 1 d . . .
F1S F 0.2714(6) 0.1793(5) 0.3270(2) 0.081(2) Uani 1 1 d . . .
F2S F 0.3488(5) 0.3082(4) 0.30562(18) 0.0555(15) Uani 1 1 d . . .
F3S F 0.4520(11) 0.3169(9) 0.3653(3) 0.174(6) Uani 1 1 d . . .
F4S F 0.3844(7) 0.1841(6) 0.38645(18) 0.091(3) Uani 1 1 d . . .
F5S F 0.2746(10) 0.3028(7) 0.3640(3) 0.139(5) Uani 1 1 d . . .
F6S F 0.4508(7) 0.1852(7) 0.3271(3) 0.112(4) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -5.2083 5.8923 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 '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
Cl1 Re1 P4 89.69(6) . .
O7 Re1 Cl1 89.51(14) . .
O7 Re1 P4 171.67(14) . .
O7 Re1 O9 83.94(18) . .
O8 Re1 Cl1 164.65(14) . .
O8 Re1 P4 92.49(15) . .
O8 Re1 O7 86.1(2) . .
O8 Re1 O9 80.92(19) . .
O9 Re1 Cl1 83.99(13) . .
O9 Re1 P4 87.73(13) . .
N1 Re1 Cl1 98.1(2) . .
N1 Re1 P4 88.77(19) . .
N1 Re1 O7 99.6(2) . .
N1 Re1 O8 97.1(2) . .
N1 Re1 O9 175.9(2) . .
O11 Rh1 Rh1 88.65(14) . 3_665
O11 Rh1 O12 175.8(2) . 3_665
O11 Rh1 O13 89.7(2) . .
O11 Rh1 O14 90.0(2) . 3_665
O11 Rh1 N1 89.3(2) . .
O12 Rh1 Rh1 87.14(14) 3_665 3_665
O12 Rh1 O13 89.7(2) 3_665 .
O12 Rh1 N1 95.0(2) 3_665 .
O13 Rh1 Rh1 88.08(14) . 3_665
O13 Rh1 N1 93.5(2) . .
O14 Rh1 Rh1 87.54(14) 3_665 3_665
O14 Rh1 O12 90.3(2) 3_665 3_665
O14 Rh1 O13 175.62(19) 3_665 .
O14 Rh1 N1 90.8(2) 3_665 .
N1 Rh1 Rh1 177.36(16) . 3_665
P1 Co1 P3 92.88(8) . .
P2 Co1 P1 90.25(8) . .
P2 Co1 P3 86.95(8) . .
C1 Co1 P1 125.4(3) . .
C1 Co1 P2 93.6(2) . .
C1 Co1 P3 141.7(3) . .
C1 Co1 C3 65.9(4) . .
C2 Co1 P1 158.5(3) . .
C2 Co1 P2 104.4(3) . .
C2 Co1 P3 103.4(3) . .
C2 Co1 C1 39.6(4) . .
C2 Co1 C3 38.9(4) . .
C3 Co1 P1 128.7(4) . .
C3 Co1 P2 141.1(4) . .
C3 Co1 P3 90.3(3) . .
C4 Co1 P1 95.6(3) . .
C4 Co1 P2 158.6(3) . .
C4 Co1 P3 113.2(3) . .
C4 Co1 C1 66.3(3) . .
C4 Co1 C2 65.2(4) . .
C4 Co1 C3 38.1(4) . .
C5 Co1 P1 92.7(3) . .
C5 Co1 P2 119.2(3) . .
C5 Co1 P3 153.2(3) . .
C5 Co1 C1 39.9(4) . .
C5 Co1 C2 66.5(4) . .
C5 Co1 C3 66.0(4) . .
C5 Co1 C4 40.1(4) . .
O1 P1 Co1 116.8(2) . .
O2 P1 Co1 108.2(2) . .
O2 P1 O1 100.7(3) . .
O7 P1 Co1 116.05(19) . .
O7 P1 O1 104.8(3) . .
O7 P1 O2 109.1(3) . .
O3 P2 Co1 120.9(4) . .
O3 P2 O3A 24.5(5) . .
O3 P2 O4 93.4(5) . .
O3A P2 Co1 103.9(5) . .
O4 P2 Co1 109.8(3) . .
O4 P2 O3A 117.1(6) . .
O8 P2 Co1 116.6(2) . .
O8 P2 O3 105.3(4) . .
O8 P2 O3A 101.7(6) . .
O8 P2 O4 107.8(3) . .
O5 P3 Co1 110.9(2) . .
O5 P3 O6 102.9(3) . .
O6 P3 Co1 107.5(2) . .
O9 P3 Co1 117.2(2) . .
O9 P3 O5 107.6(3) . .
O9 P3 O6 109.9(3) . .
C31 P4 Re1 114.2(2) . .
C41 P4 Re1 114.5(2) . .
C41 P4 C31 103.2(3) . .
C51 P4 Re1 112.6(2) . .
C51 P4 C31 107.4(4) . .
C51 P4 C41 103.9(3) . .
C11 O1 P1 120.5(4) . .
C13 O2 P1 122.6(5) . .
C15 O3 P2 121.2(8) . .
C15A O3A P2 116.7(11) . .
C17 O4 P2 134.7(9) . .
C19 O5 P3 125.3(5) . .
C21 O6 P3 120.6(5) . .
P1 O7 Re1 131.3(3) . .
P2 O8 Re1 132.8(3) . .
P3 O9 Re1 129.8(3) . .
C6 O11 Rh1 118.6(5) . .
C6 O12 Rh1 119.2(5) . 3_665
C8 O13 Rh1 119.3(5) . .
C8 O14 Rh1 120.3(5) . 3_665
Re1 N1 Rh1 173.4(3) . .
C2 C1 Co1 70.0(5) . .
C2 C1 C5 107.2(8) . .
C5 C1 Co1 69.7(5) . .
C1 C2 Co1 70.5(5) . .
C3 C2 Co1 70.8(5) . .
C3 C2 C1 108.3(9) . .
C2 C3 Co1 70.2(5) . .
C4 C3 Co1 70.6(5) . .
C4 C3 C2 109.0(9) . .
C3 C4 Co1 71.3(6) . .
C3 C4 C5 109.1(9) . .
C5 C4 Co1 69.9(5) . .
C1 C5 Co1 70.4(5) . .
C1 C5 C4 106.3(9) . .
C4 C5 Co1 70.0(5) . .
O11 C6 O12 126.4(7) . .
O11 C6 C7 116.9(6) . .
O12 C6 C7 116.7(6) . .
O13 C8 O14 124.7(7) . .
O13 C8 C9 118.4(7) . .
O14 C8 C9 116.8(7) . .
O1 C11 C12 108.4(7) . .
O2 C13 C14 109.3(6) . .
O3 C15 C16 108.5(10) . .
O3A C15A C16 107.1(14) . .
C15A C16 C15 35.5(9) . .
C18 C17 O4 110.8(11) . .
O5 C19 C20 109.6(6) . .
O6 C21 C22 107.3(6) . .
C32 C31 P4 121.2(5) . .
C32 C31 C36 119.8(7) . .
C36 C31 P4 118.8(6) . .
C31 C32 C33 119.8(7) . .
C34 C33 C32 121.3(8) . .
C33 C34 C35 119.3(8) . .
C36 C35 C34 120.7(8) . .
C35 C36 C31 119.2(8) . .
C42 C41 P4 121.6(5) . .
C42 C41 C46 118.7(7) . .
C46 C41 P4 119.4(5) . .
C43 C42 C41 121.4(7) . .
C42 C43 C44 120.8(7) . .
C43 C44 C45 118.1(7) . .
C46 C45 C44 121.4(7) . .
C45 C46 C41 119.6(7) . .
C52 C51 P4 123.9(6) . .
C52 C51 C56 118.3(7) . .
C56 C51 P4 117.8(6) . .
C51 C52 C53 121.6(8) . .
C52 C53 C54 119.8(7) . .
C53 C54 C55 119.5(7) . .
C56 C55 C54 120.6(8) . .
C55 C56 C51 120.2(7) . .
Cl1S C1S Cl2S 110.0(5) . .
Cl4S C2S Cl3S 111.7(6) . .
F1S P1S F2S 88.6(4) . .
F3S P1S F1S 174.0(7) . .
F3S P1S F2S 89.6(5) . .
F3S P1S F4S 91.7(5) . .
F3S P1S F5S 88.8(8) . .
F3S P1S F6S 96.8(8) . .
F4S P1S F1S 89.9(4) . .
F4S P1S F2S 178.2(4) . .
F5S P1S F1S 85.5(6) . .
F5S P1S F2S 88.7(5) . .
F5S P1S F4S 90.1(5) . .
F6S P1S F1S 89.0(5) . .
F6S P1S F2S 90.7(4) . .
F6S P1S F4S 90.4(4) . .
F6S P1S F5S 174.4(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Re1 Cl1 2.3089(16) .
Re1 P4 2.5054(18) .
Re1 O7 2.034(4) .
Re1 O8 2.029(5) .
Re1 O9 2.192(4) .
Re1 N1 1.681(6) .
Rh1 Rh1 2.4091(10) 3_665
Rh1 O11 2.025(5) .
Rh1 O12 2.037(5) 3_665
Rh1 O13 2.041(5) .
Rh1 O14 2.032(5) 3_665
Rh1 N1 2.126(6) .
Co1 P1 2.151(2) .
Co1 P2 2.148(2) .
Co1 P3 2.154(2) .
Co1 C1 2.072(8) .
Co1 C2 2.066(8) .
Co1 C3 2.073(9) .
Co1 C4 2.064(8) .
Co1 C5 2.063(8) .
P1 O1 1.593(5) .
P1 O2 1.582(5) .
P1 O7 1.545(5) .
P2 O3 1.559(10) .
P2 O3A 1.701(15) .
P2 O4 1.589(7) .
P2 O8 1.553(5) .
P3 O5 1.591(5) .
P3 O6 1.598(5) .
P3 O9 1.524(5) .
P4 C31 1.829(7) .
P4 C41 1.825(8) .
P4 C51 1.811(7) .
O1 C11 1.467(9) .
O2 C13 1.448(8) .
O3 C15 1.429(17) .
O3A C15A 1.43(3) .
O4 C17 1.422(14) .
O5 C19 1.416(9) .
O6 C21 1.446(8) .
O11 C6 1.257(9) .
O12 Rh1 2.037(5) 3_665
O12 C6 1.275(9) .
O13 C8 1.271(9) .
O14 Rh1 2.032(5) 3_665
O14 C8 1.273(9) .
C1 C2 1.401(13) .
C1 C5 1.412(13) .
C2 C3 1.380(15) .
C3 C4 1.352(16) .
C4 C5 1.415(14) .
C6 C7 1.527(10) .
C8 C9 1.485(10) .
C11 C12 1.500(11) .
C13 C14 1.496(11) .
C15 C16 1.540(13) .
C15A C16 1.462(15) .
C17 C18 1.417(15) .
C19 C20 1.503(10) .
C21 C22 1.486(12) .
C31 C32 1.378(10) .
C31 C36 1.417(10) .
C32 C33 1.399(11) .
C33 C34 1.371(11) .
C34 C35 1.396(12) .
C35 C36 1.390(11) .
C41 C42 1.391(10) .
C41 C46 1.398(10) .
C42 C43 1.375(10) .
C43 C44 1.386(11) .
C44 C45 1.403(11) .
C45 C46 1.386(11) .
C51 C52 1.372(11) .
C51 C56 1.415(11) .
C52 C53 1.382(11) .
C53 C54 1.386(12) .
C54 C55 1.387(11) .
C55 C56 1.372(11) .
C1S Cl1S 1.770(10) .
C1S Cl2S 1.783(10) .
C2S Cl3S 1.773(10) .
C2S Cl4S 1.721(12) .
P1S F1S 1.592(7) .
P1S F2S 1.602(6) .
P1S F3S 1.515(8) .
P1S F4S 1.581(7) .
P1S F5S 1.575(8) .
P1S F6S 1.523(7) .
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
Re1 P4 C31 C32 -7.3(7) .
Re1 P4 C31 C36 178.9(5) .
Re1 P4 C41 C42 30.6(7) .
Re1 P4 C41 C46 -156.4(5) .
Re1 P4 C51 C52 -113.6(6) .
Re1 P4 C51 C56 67.7(6) .
Rh1 Rh1 O11 C6 -0.8(5) 3_665
Rh1 Rh1 O13 C8 -0.9(5) 3_665
Rh1 Rh1 N1 Re1 39(6) 3_665
Rh1 O11 C6 O12 0.7(11) .
Rh1 O11 C6 C7 178.6(5) .
Rh1 O12 C6 O11 -0.1(11) 3_665
Rh1 O12 C6 C7 -178.0(5) 3_665
Rh1 O13 C8 O14 2.3(10) .
Rh1 O13 C8 C9 179.6(5) .
Rh1 O14 C8 O13 -2.6(10) 3_665
Rh1 O14 C8 C9 -179.9(5) 3_665
Co1 P1 O1 C11 -73.4(5) .
Co1 P1 O2 C13 150.1(5) .
Co1 P1 O7 Re1 -41.8(4) .
Co1 P2 O3 C15 -79.7(10) .
Co1 P2 O3A C15A -171.1(13) .
Co1 P2 O4 C17 -162.0(9) .
Co1 P2 O8 Re1 -34.7(5) .
Co1 P3 O5 C19 -131.0(6) .
Co1 P3 O6 C21 172.6(5) .
Co1 P3 O9 Re1 -32.7(4) .
Co1 C1 C2 C3 -61.0(6) .
Co1 C1 C5 C4 61.1(6) .
Co1 C2 C3 C4 -60.2(7) .
Co1 C3 C4 C5 -59.9(6) .
Co1 C4 C5 C1 -61.4(6) .
Cl1 Re1 P4 C31 160.0(2) .
Cl1 Re1 P4 C41 41.3(3) .
Cl1 Re1 P4 C51 -77.2(3) .
Cl1 Re1 O7 P1 150.8(4) .
Cl1 Re1 O8 P2 -14.5(9) .
Cl1 Re1 O9 P3 -112.6(4) .
Cl1 Re1 N1 Rh1 174(3) .
P1 Co1 P2 O3 102.3(4) .
P1 Co1 P2 O3A 83.2(6) .
P1 Co1 P2 O4 -150.8(3) .
P1 Co1 P2 O8 -27.8(2) .
P1 Co1 P3 O5 -178.5(3) .
P1 Co1 P3 O6 -66.7(2) .
P1 Co1 P3 O9 57.6(2) .
P1 Co1 C1 C2 158.7(5) .
P1 Co1 C1 C5 40.6(6) .
P1 Co1 C2 C1 -53.8(12) .
P1 Co1 C2 C3 64.7(11) .
P1 Co1 C3 C2 -154.9(5) .
P1 Co1 C3 C4 -35.3(7) .
P1 Co1 C4 C3 153.1(6) .
P1 Co1 C4 C5 -87.5(6) .
P1 Co1 C5 C1 -147.9(5) .
P1 Co1 C5 C4 95.6(6) .
P1 O1 C11 C12 178.0(6) .
P1 O2 C13 C14 167.0(6) .
P2 Co1 P1 O1 -174.2(2) .
P2 Co1 P1 O2 -61.6(2) .
P2 Co1 P1 O7 61.3(2) .
P2 Co1 P3 O5 91.5(3) .
P2 Co1 P3 O6 -156.8(2) .
P2 Co1 P3 O9 -32.5(2) .
P2 Co1 C1 C2 -108.4(5) .
P2 Co1 C1 C5 133.4(5) .
P2 Co1 C2 C1 77.9(5) .
P2 Co1 C2 C3 -163.6(6) .
P2 Co1 C3 C2 25.7(8) .
P2 Co1 C3 C4 145.3(5) .
P2 Co1 C4 C3 -101.7(11) .
P2 Co1 C4 C5 17.8(13) .
P2 Co1 C5 C1 -56.1(6) .
P2 Co1 C5 C4 -172.7(5) .
P2 O3 C15 C16 -173.0(8) .
P2 O3A C15A C16 -164.4(11) .
P2 O4 C17 C18 105.6(12) .
P3 Co1 P1 O1 98.8(2) .
P3 Co1 P1 O2 -148.5(2) .
P3 Co1 P1 O7 -25.6(2) .
P3 Co1 P2 O3 -164.8(4) .
P3 Co1 P2 O3A 176.0(6) .
P3 Co1 P2 O4 -57.9(3) .
P3 Co1 P2 O8 65.0(2) .
P3 Co1 C1 C2 -18.8(7) .
P3 Co1 C1 C5 -137.0(5) .
P3 Co1 C2 C1 168.1(5) .
P3 Co1 C2 C3 -73.4(6) .
P3 Co1 C3 C2 111.2(6) .
P3 Co1 C3 C4 -129.2(6) .
P3 Co1 C4 C3 57.5(7) .
P3 Co1 C4 C5 176.9(5) .
P3 Co1 C5 C1 110.3(7) .
P3 Co1 C5 C4 -6.2(10) .
P3 O5 C19 C20 146.2(6) .
P3 O6 C21 C22 -147.7(6) .
P4 Re1 O7 P1 66.3(12) .
P4 Re1 O8 P2 -112.5(4) .
P4 Re1 O9 P3 157.5(4) .
P4 Re1 N1 Rh1 -97(3) .
P4 C31 C32 C33 -173.5(5) .
P4 C31 C36 C35 173.2(6) .
P4 C41 C42 C43 171.7(6) .
P4 C41 C46 C45 -172.1(6) .
P4 C51 C52 C53 -177.3(6) .
P4 C51 C56 C55 176.6(6) .
O1 P1 O2 C13 -86.8(6) .
O1 P1 O7 Re1 -172.2(3) .
O2 P1 O1 C11 169.8(5) .
O2 P1 O7 Re1 80.7(4) .
O3 P2 O3A C15A 51.6(17) .
O3 P2 O4 C17 -37.4(10) .
O3 P2 O8 Re1 -171.9(5) .
O3 C15 C16 C15A 54.6(17) .
O3A P2 O3 C15 -29.5(15) .
O3A P2 O4 C17 -43.9(12) .
O3A P2 O8 Re1 -146.9(7) .
O3A C15A C16 C15 -35.2(13) .
O4 P2 O3 C15 164.7(10) .
O4 P2 O3A C15A 67.6(16) .
O4 P2 O8 Re1 89.3(5) .
O5 P3 O6 C21 -70.3(6) .
O5 P3 O9 Re1 -158.3(4) .
O6 P3 O5 C19 114.3(7) .
O6 P3 O9 Re1 90.4(4) .
O7 Re1 P4 C31 -115.5(10) .
O7 Re1 P4 C41 125.8(10) .
O7 Re1 P4 C51 7.3(10) .
O7 Re1 O8 P2 59.3(4) .
O7 Re1 O9 P3 -22.4(4) .
O7 Re1 N1 Rh1 83(3) .
O7 P1 O1 C11 56.6(6) .
O7 P1 O2 C13 23.1(6) .
O8 Re1 P4 C31 -35.2(3) .
O8 Re1 P4 C41 -153.9(3) .
O8 Re1 P4 C51 87.6(3) .
O8 Re1 O7 P1 -14.5(4) .
O8 Re1 O9 P3 64.6(4) .
O8 Re1 N1 Rh1 -4(3) .
O8 P2 O3 C15 55.2(11) .
O8 P2 O3A C15A -49.6(15) .
O8 P2 O4 C17 70.0(10) .
O9 Re1 P4 C31 -116.0(3) .
O9 Re1 P4 C41 125.3(3) .
O9 Re1 P4 C51 6.8(3) .
O9 Re1 O7 P1 66.8(4) .
O9 Re1 O8 P2 -25.1(4) .
O9 Re1 N1 Rh1 -66(5) .
O9 P3 O5 C19 -1.7(8) .
O9 P3 O6 C21 44.0(6) .
O11 Rh1 O13 C8 87.8(5) .
O11 Rh1 N1 Re1 1(3) .
O12 Rh1 O11 C6 -7(3) 3_665
O12 Rh1 O13 C8 -88.0(5) 3_665
O12 Rh1 N1 Re1 -179(100) 3_665
O13 Rh1 O11 C6 -88.8(6) .
O13 Rh1 N1 Re1 -89(3) .
O14 Rh1 O11 C6 86.8(6) 3_665
O14 Rh1 O13 C8 2(3) 3_665
O14 Rh1 N1 Re1 91(3) 3_665
N1 Re1 P4 C31 61.9(3) .
N1 Re1 P4 C41 -56.8(3) .
N1 Re1 P4 C51 -175.3(3) .
N1 Re1 O7 P1 -111.0(4) .
N1 Re1 O8 P2 158.5(4) .
N1 Re1 O9 P3 126(3) .
N1 Rh1 O11 C6 177.6(6) .
N1 Rh1 O13 C8 177.0(5) .
C1 Co1 P1 O1 -79.7(4) .
C1 Co1 P1 O2 33.0(4) .
C1 Co1 P1 O7 155.9(4) .
C1 Co1 P2 O3 -23.1(5) .
C1 Co1 P2 O3A -42.3(6) .
C1 Co1 P2 O4 83.7(4) .
C1 Co1 P2 O8 -153.3(4) .
C1 Co1 P3 O5 -0.4(5) .
C1 Co1 P3 O6 111.3(4) .
C1 Co1 P3 O9 -124.4(4) .
C1 Co1 C2 C3 118.5(8) .
C1 Co1 C3 C2 -37.8(6) .
C1 Co1 C3 C4 81.8(6) .
C1 Co1 C4 C3 -80.6(7) .
C1 Co1 C4 C5 38.8(6) .
C1 Co1 C5 C4 -116.5(8) .
C1 C2 C3 Co1 60.7(6) .
C1 C2 C3 C4 0.6(10) .
C2 Co1 P1 O1 -40.6(9) .
C2 Co1 P1 O2 72.1(9) .
C2 Co1 P1 O7 -165.0(9) .
C2 Co1 P2 O3 -61.8(5) .
C2 Co1 P2 O3A -80.9(6) .
C2 Co1 P2 O4 45.1(4) .
C2 Co1 P2 O8 168.1(4) .
C2 Co1 P3 O5 -12.6(4) .
C2 Co1 P3 O6 99.1(4) .
C2 Co1 P3 O9 -136.6(4) .
C2 Co1 C1 C5 -118.1(8) .
C2 Co1 C3 C4 119.6(9) .
C2 Co1 C4 C3 -37.0(6) .
C2 Co1 C4 C5 82.4(6) .
C2 Co1 C5 C1 37.8(6) .
C2 Co1 C5 C4 -78.7(7) .
C2 C1 C5 Co1 -60.2(6) .
C2 C1 C5 C4 1.0(9) .
C2 C3 C4 Co1 60.0(6) .
C2 C3 C4 C5 0.0(10) .
C3 Co1 P1 O1 6.1(4) .
C3 Co1 P1 O2 118.8(4) .
C3 Co1 P1 O7 -118.3(4) .
C3 Co1 P2 O3 -78.1(6) .
C3 Co1 P2 O3A -97.3(7) .
C3 Co1 P2 O4 28.8(5) .
C3 Co1 P2 O8 151.7(5) .
C3 Co1 P3 O5 -49.7(5) .
C3 Co1 P3 O6 62.0(4) .
C3 Co1 P3 O9 -173.7(4) .
C3 Co1 C1 C2 37.2(6) .
C3 Co1 C1 C5 -80.9(7) .
C3 Co1 C2 C1 -118.5(8) .
C3 Co1 C4 C5 119.5(9) .
C3 Co1 C5 C1 80.5(7) .
C3 Co1 C5 C4 -36.0(6) .
C3 C4 C5 Co1 60.8(6) .
C3 C4 C5 C1 -0.6(10) .
C4 Co1 P1 O1 -14.9(4) .
C4 Co1 P1 O2 97.8(4) .
C4 Co1 P1 O7 -139.3(4) .
C4 Co1 P2 O3 -3.9(11) .
C4 Co1 P2 O3A -23.1(11) .
C4 Co1 P2 O4 103.0(10) .
C4 Co1 P2 O8 -134.1(10) .
C4 Co1 P3 O5 -81.1(4) .
C4 Co1 P3 O6 30.7(4) .
C4 Co1 P3 O9 154.9(4) .
C4 Co1 C1 C2 79.1(6) .
C4 Co1 C1 C5 -39.0(6) .
C4 Co1 C2 C1 -82.2(6) .
C4 Co1 C2 C3 36.3(6) .
C4 Co1 C3 C2 -119.6(9) .
C4 Co1 C5 C1 116.5(8) .
C5 Co1 P1 O1 -55.0(4) .
C5 Co1 P1 O2 57.7(4) .
C5 Co1 P1 O7 -179.4(4) .
C5 Co1 P2 O3 9.1(5) .
C5 Co1 P2 O3A -10.0(7) .
C5 Co1 P2 O4 116.0(4) .
C5 Co1 P2 O8 -121.0(4) .
C5 Co1 P3 O5 -76.7(7) .
C5 Co1 P3 O6 35.0(7) .
C5 Co1 P3 O9 159.3(6) .
C5 Co1 C1 C2 118.1(8) .
C5 Co1 C2 C1 -38.1(6) .
C5 Co1 C2 C3 80.4(7) .
C5 Co1 C3 C2 -81.7(6) .
C5 Co1 C3 C4 37.8(6) .
C5 Co1 C4 C3 -119.5(9) .
C5 C1 C2 Co1 60.0(6) .
C5 C1 C2 C3 -1.0(10) .
C31 P4 C41 C42 -94.2(7) .
C31 P4 C41 C46 78.8(6) .
C31 P4 C51 C52 13.0(8) .
C31 P4 C51 C56 -165.7(6) .
C31 C32 C33 C34 0.8(11) .
C32 C31 C36 C35 -0.7(10) .
C32 C33 C34 C35 -1.3(12) .
C33 C34 C35 C36 0.8(12) .
C34 C35 C36 C31 0.1(11) .
C36 C31 C32 C33 0.2(10) .
C41 P4 C31 C32 117.7(6) .
C41 P4 C31 C36 -56.1(6) .
C41 P4 C51 C52 121.9(7) .
C41 P4 C51 C56 -56.8(6) .
C41 C42 C43 C44 0.0(11) .
C42 C41 C46 C45 1.0(12) .
C42 C43 C44 C45 1.5(12) .
C43 C44 C45 C46 -1.8(13) .
C44 C45 C46 C41 0.5(13) .
C46 C41 C42 C43 -1.3(11) .
C51 P4 C31 C32 -132.9(6) .
C51 P4 C31 C36 53.3(6) .
C51 P4 C41 C42 153.9(6) .
C51 P4 C41 C46 -33.2(7) .
C51 C52 C53 C54 0.4(12) .
C52 C51 C56 C55 -2.1(11) .
C52 C53 C54 C55 -1.4(12) .
C53 C54 C55 C56 0.6(12) .
C54 C55 C56 C51 1.2(12) .
C56 C51 C52 C53 1.3(12) .
