# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_LRuNOH4cat
_database_code_depnum_ccdc_archive 'CCDC 1522504'
_audit_update_record             
;
2016-12-13 deposited with the CCDC.
2016-12-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C17 H27 Co N O12 P3 Ru'
_chemical_formula_sum            'C17 H27 Co N O12 P3 Ru'
_chemical_formula_weight         690.31

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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Pnma
_symmetry_space_group_name_Hall  '-P 2ac 2n'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   16.740(3)
_cell_length_b                   11.664(2)
_cell_length_c                   12.351(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2411.6(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    98(2)
_cell_measurement_reflns_used    9513
_cell_measurement_theta_min      2.1
_cell_measurement_theta_max      40.2

_exptl_crystal_description       needle
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.901
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1392
_exptl_absorpt_coefficient_mu    1.576
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.749
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'

_exptl_special_details           
; 
 
;

_diffrn_ambient_temperature      98(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  
;
Saturn724 (2x2 bin mode)
;
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        <1
_diffrn_reflns_number            17093
_diffrn_reflns_av_R_equivalents  0.0628
_diffrn_reflns_av_sigmaI/netI    0.0364
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.40
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_reduction_process 'Lp corrections applied'
_reflns_number_total             2896
_reflns_number_gt                2680
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrystalClear-SM Expert 2.0 r5 (Rigaku, 2010)
;
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.0 r5 (Rigaku, 2010)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.0 r5 (Rigaku, 2010)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0700P)²+9.7500P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2896
_refine_ls_number_parameters     169
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0493
_refine_ls_R_factor_gt           0.0454
_refine_ls_wR_factor_ref         0.1264
_refine_ls_wR_factor_gt          0.1228
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Ru1 Ru 0.10468(2) 0.2500 0.35628(3) 0.01676(14) Uani 1 2 d S . .
Co1 Co 0.23319(4) 0.2500 0.62382(6) 0.02077(19) Uani 1 2 d S . .
P1 P 0.14585(6) 0.11988(8) 0.58453(8) 0.0233(2) Uani 1 1 d . . .
P2 P 0.28023(8) 0.2500 0.46163(11) 0.0250(3) Uani 1 2 d S . .
O7 O 0.11133(18) 0.1358(2) 0.2373(2) 0.0267(6) Uani 1 1 d . . .
C7 C 0.0939(2) 0.1897(4) 0.1428(3) 0.0225(8) Uani 1 1 d . . .
O1 O 0.11214(19) 0.1194(2) 0.4708(2) 0.0299(7) Uani 1 1 d . . .
O4 O 0.2254(3) 0.2500 0.3628(3) 0.0382(12) Uani 1 2 d S . .
N1 N 0.0023(3) 0.2500 0.3675(4) 0.0247(10) Uani 1 2 d S . .
C8 C 0.0762(3) 0.1298(4) 0.0488(3) 0.0316(9) Uani 1 1 d . . .
H8A H 0.0758 0.0501 0.0488 0.038 Uiso 1 1 calc R . .
O2 O 0.1709(2) -0.0082(3) 0.6101(3) 0.0428(8) Uani 1 1 d . . .
C3 C 0.3500(3) 0.2500 0.6829(5) 0.0311(13) Uani 1 2 d S . .
H3A H 0.3985 0.2500 0.6384 0.037 Uiso 1 2 calc SR . .
O5 O 0.33737(19) 0.1410(3) 0.4495(2) 0.0377(8) Uani 1 1 d . . .
O3 O 0.0742(2) 0.1288(4) 0.6701(3) 0.0511(10) Uani 1 1 d . . .
C9 C 0.0590(2) 0.1913(4) -0.0465(3) 0.0306(9) Uani 1 1 d . . .
H9A H 0.0475 0.1518 -0.1101 0.037 Uiso 1 1 calc R . .
C2 C 0.3088(3) 0.1505(4) 0.7197(3) 0.0328(9) Uani 1 1 d . . .
H2A H 0.3241 0.0706 0.7068 0.039 Uiso 1 1 calc R . .
O6 O -0.0655(3) 0.2500 0.3891(4) 0.0464(13) Uani 1 2 d S . .
C5 C 0.0022(3) 0.0680(5) 0.6557(4) 0.0397(11) Uani 1 1 d . . .
H5A H -0.0337 0.0857 0.7140 0.060 Uiso 1 1 calc R . .
H5B H 0.0130 -0.0129 0.6554 0.060 Uiso 1 1 calc R . .
H5C H -0.0217 0.0896 0.5881 0.060 Uiso 1 1 calc R . .
C1 C 0.2423(3) 0.1894(5) 0.7817(3) 0.0380(11) Uani 1 1 d . . .
H1A H 0.2032 0.1403 0.8184 0.046 Uiso 1 1 calc R . .
C6 C 0.3671(5) 0.1053(5) 0.3485(4) 0.069(2) Uani 1 1 d . . .
H6A H 0.3999 0.0384 0.3581 0.103 Uiso 1 1 calc R . .
H6B H 0.3985 0.1657 0.3172 0.103 Uiso 1 1 calc R . .
H6C H 0.3234 0.0873 0.3012 0.103 Uiso 1 1 calc R . .
C4 C 0.2133(4) -0.0768(5) 0.5358(6) 0.0634(18) Uani 1 1 d . . .
H4A H 0.2228 -0.1509 0.5670 0.095 Uiso 1 1 calc R . .
H4B H 0.2634 -0.0410 0.5189 0.095 Uiso 1 1 calc R . .
H4C H 0.1825 -0.0853 0.4707 0.095 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N1 1.720(5) . ?
Ru1 O7 1.986(3) . ?
Ru1 O7 1.986(3) 7_565 ?
Ru1 O4 2.022(4) . ?
Ru1 O1 2.082(3) 7_565 ?
Ru1 O1 2.082(3) . ?
Co1 C1 2.080(4) 7_565 ?
Co1 C1 2.080(4) . ?
Co1 C2 2.086(4) 7_565 ?
Co1 C2 2.086(4) . ?
Co1 C3 2.087(5) . ?
Co1 P2 2.1525(16) . ?
Co1 P1 2.1626(12) . ?
Co1 P1 2.1626(12) 7_565 ?
P1 O1 1.514(3) . ?
P1 O2 1.584(4) . ?
P1 O3 1.601(4) . ?
P2 O4 1.528(4) . ?
P2 O5 1.598(3) 7_565 ?
P2 O5 1.598(3) . ?
O7 C7 1.358(5) . ?
C7 C8 1.386(5) . ?
C7 C7 1.407(9) 7_565 ?
N1 O6 1.166(7) . ?
C8 C9 1.409(6) . ?
C8 H8A 0.9300 . ?
O2 C4 1.409(7) . ?
C3 C2 1.425(6) . ?
C3 C2 1.425(6) 7_565 ?
C3 H3A 0.9800 . ?
O5 C6 1.407(5) . ?
O3 C5 1.410(6) . ?
C9 C9 1.370(9) 7_565 ?
C9 H9A 0.9300 . ?
C2 C1 1.425(6) . ?
C2 H2A 0.9800 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C1 C1 1.414(11) 7_565 ?
C1 H1A 0.9800 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ru1 O7 96.63(14) . . ?
N1 Ru1 O7 96.63(14) . 7_565 ?
O7 Ru1 O7 84.22(17) . 7_565 ?
N1 Ru1 O4 173.11(19) . . ?
O7 Ru1 O4 88.47(12) . . ?
O7 Ru1 O4 88.47(12) 7_565 . ?
N1 Ru1 O1 90.29(13) . 7_565 ?
O7 Ru1 O1 171.73(13) . 7_565 ?
O7 Ru1 O1 90.50(12) 7_565 7_565 ?
O4 Ru1 O1 85.02(12) . 7_565 ?
N1 Ru1 O1 90.29(13) . . ?
O7 Ru1 O1 90.50(12) . . ?
O7 Ru1 O1 171.73(13) 7_565 . ?
O4 Ru1 O1 85.02(12) . . ?
O1 Ru1 O1 94.00(16) 7_565 . ?
C1 Co1 C1 39.8(3) 7_565 . ?
C1 Co1 C2 40.02(18) 7_565 7_565 ?
C1 Co1 C2 67.20(19) . 7_565 ?
C1 Co1 C2 67.20(19) 7_565 . ?
C1 Co1 C2 40.02(18) . . ?
C2 Co1 C2 67.6(3) 7_565 . ?
C1 Co1 C3 66.67(19) 7_565 . ?
C1 Co1 C3 66.67(19) . . ?
C2 Co1 C3 39.93(15) 7_565 . ?
C2 Co1 C3 39.93(15) . . ?
C1 Co1 P2 147.77(14) 7_565 . ?
C1 Co1 P2 147.77(14) . . ?
C2 Co1 P2 107.85(13) 7_565 . ?
C2 Co1 P2 107.85(13) . . ?
C3 Co1 P2 89.00(17) . . ?
C1 Co1 P1 119.89(15) 7_565 . ?
C1 Co1 P1 91.21(14) . . ?
C2 Co1 P1 158.13(13) 7_565 . ?
C2 Co1 P1 98.46(13) . . ?
C3 Co1 P1 135.39(3) . . ?
P2 Co1 P1 92.21(4) . . ?
C1 Co1 P1 91.21(14) 7_565 7_565 ?
C1 Co1 P1 119.89(14) . 7_565 ?
C2 Co1 P1 98.46(13) 7_565 7_565 ?
C2 Co1 P1 158.13(13) . 7_565 ?
C3 Co1 P1 135.39(3) . 7_565 ?
P2 Co1 P1 92.21(4) . 7_565 ?
P1 Co1 P1 89.15(6) . 7_565 ?
O1 P1 O2 106.29(19) . . ?
O1 P1 O3 109.5(2) . . ?
O2 P1 O3 97.4(2) . . ?
O1 P1 Co1 117.56(12) . . ?
O2 P1 Co1 115.98(14) . . ?
O3 P1 Co1 108.22(14) . . ?
O4 P2 O5 106.53(16) . 7_565 ?
O4 P2 O5 106.53(16) . . ?
O5 P2 O5 105.4(3) 7_565 . ?
O4 P2 Co1 121.61(18) . . ?
O5 P2 Co1 107.85(13) 7_565 . ?
O5 P2 Co1 107.85(13) . . ?
C7 O7 Ru1 108.3(2) . . ?
O7 C7 C8 122.2(4) . . ?
O7 C7 C7 117.6(2) . 7_565 ?
C8 C7 C7 120.2(3) . 7_565 ?
P1 O1 Ru1 130.56(17) . . ?
P2 O4 Ru1 129.2(3) . . ?
O6 N1 Ru1 171.4(4) . . ?
C7 C8 C9 119.2(4) . . ?
C7 C8 H8A 120.4 . . ?
C9 C8 H8A 120.4 . . ?
C4 O2 P1 122.7(4) . . ?
C2 C3 C2 109.1(5) . 7_565 ?
C2 C3 Co1 70.0(3) . . ?
C2 C3 Co1 70.0(3) 7_565 . ?
C2 C3 H3A 125.5 . . ?
C2 C3 H3A 125.5 7_565 . ?
Co1 C3 H3A 125.5 . . ?
C6 O5 P2 122.1(3) . . ?
C5 O3 P1 121.6(3) . . ?
C9 C9 C8 120.6(3) 7_565 . ?
C9 C9 H9A 119.7 7_565 . ?
C8 C9 H9A 119.7 . . ?
C3 C2 C1 106.9(4) . . ?
C3 C2 Co1 70.1(3) . . ?
C1 C2 Co1 69.8(2) . . ?
C3 C2 H2A 126.5 . . ?
C1 C2 H2A 126.5 . . ?
Co1 C2 H2A 126.5 . . ?
O3 C5 H5A 109.5 . . ?
O3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
O3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C1 C1 C2 108.5(3) 7_565 . ?
C1 C1 Co1 70.12(15) 7_565 . ?
C2 C1 Co1 70.2(2) . . ?
C1 C1 H1A 125.7 7_565 . ?
C2 C1 H1A 125.7 . . ?
Co1 C1 H1A 125.7 . . ?
O5 C6 H6A 109.5 . . ?
O5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
O5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O2 C4 H4A 109.5 . . ?
O2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
O2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         2.124
_refine_diff_density_min         -0.795
_refine_diff_density_rms         0.127

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cd1331a
_database_code_depnum_ccdc_archive 'CCDC 1522505'
_audit_update_record             
;
2016-12-13 deposited with the CCDC.
2016-12-22 downloaded from the CCDC.
;
_audit_creation_date             2015-06-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H44 Co N3 O12 P3 Ru, 2(C F3 O3 S)'
_chemical_formula_sum            'C22 H44 Co F6 N3 O18 P3 Ru S2'
_chemical_formula_weight         1069.63
_chemical_absolute_configuration ad
_chemical_melting_point          ?
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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C 1 c 1'
_space_group_name_Hall           'C -2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   20.084(3)
_cell_length_b                   12.6011(17)
_cell_length_c                   16.863(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.902(2)
_cell_angle_gamma                90
_cell_volume                     4257.8(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7388
_cell_measurement_temperature    298
_cell_measurement_theta_max      40.2
_cell_measurement_theta_min      3.1
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.050
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2172
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.3
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_av_unetI/netI     0.0453
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12678
_diffrn_reflns_point_group_measured_fraction_full 0.929
_diffrn_reflns_point_group_measured_fraction_max 0.929
_diffrn_reflns_theta_full        25.049
_diffrn_reflns_theta_max         25.049
_diffrn_reflns_theta_min         3.453
_diffrn_ambient_temperature      298
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_details      
;
scan:
	Number of images: 246
	           Slice: -68.0000 - 55.0000
	     Image width: 0.5000
	        Exp time: 40.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 70.0000
	             Phi: 0.0000
	             XTD: 35.0086
	          2theta: -35.0172
scan:
	Number of images: 238
	           Slice: -68.0000 - 51.0000
	     Image width: 0.5000
	        Exp time: 40.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 70.0000
	             Phi: 180.0000
	             XTD: 35.0086
	          2theta: -35.0172
scan:
	Number of images: 74
	           Slice: -71.0000 - -34.0000
	     Image width: 0.5000
	        Exp time: 40.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 0.0000
	             Phi: 180.0000
	             XTD: 35.0086
	          2theta: -35.0172
scan:
	Number of images: 66
	           Slice: -125.0000 - -92.0000
	     Image width: 0.5000
	        Exp time: 40.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 0.0000
	             Phi: 90.0000
	             XTD: 35.0086
	          2theta: -35.0172
scan:
	Number of images: 64
	           Slice: -38.0000 - -6.0000
	     Image width: 0.5000
	        Exp time: 40.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 70.0000
	             Phi: 90.0000
	             XTD: 35.0086
	          2theta: -35.0172
;
_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 Fiber
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      0.004111
_diffrn_orient_matrix_UB_12      -0.046777
_diffrn_orient_matrix_UB_13      0.016900
_diffrn_orient_matrix_UB_21      -0.073455
_diffrn_orient_matrix_UB_22      0.004285
_diffrn_orient_matrix_UB_23      0.029728
_diffrn_orient_matrix_UB_31      -0.021573
_diffrn_orient_matrix_UB_32      -0.024210
_diffrn_orient_matrix_UB_33      -0.049816
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Sealed Tube'
_diffrn_source_current           40.0
_diffrn_source_power             2.0
_diffrn_source_voltage           50.0
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.873
_reflns_Friedel_fraction_full    0.867
_reflns_Friedel_fraction_max     0.867
_reflns_number_gt                6835
_reflns_number_total             6982
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)
;
_computing_data_collection       
;
CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.696
_refine_diff_density_min         -0.836
_refine_diff_density_rms         0.084
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   -0.01(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     517
_refine_ls_number_reflns         6982
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0493
_refine_ls_R_factor_gt           0.0485
_refine_ls_restrained_S_all      1.000
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0850P)²+5.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1222
_refine_ls_wR_factor_ref         0.1236
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C15(H15), C3(H3), C18(H18), C4(H4), C1(H1), C2(H2), C5(H5)
2.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C9(H9A,H9B,H9C), C6(H6A,H6B,H6C), C14(H14A,H14B,H14C),
 C17(H17A,H17B,H17C), C8(H8A,H8B,H8C), C13(H13A,H13B,H13C), C16(H16A,H16B,H16C),
  C19(H19A,H19B,H19C), C7(H7A,H7B,H7C), C11(H11A,H11B,H11C), C20(H20A,H20B,H20C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
Ru1 Ru 0.50203(3) 0.67013(4) 0.48955(3) 0.04029(17) Uani 1 1 d . . . . .
Co1 Co 0.56901(5) 0.47013(8) 0.64742(6) 0.0464(3) Uani 1 1 d . . . . .
P2 P 0.56604(11) 0.44298(15) 0.52036(12) 0.0471(4) Uani 1 1 d . . . . .
P3 P 0.60875(11) 0.62748(17) 0.63326(12) 0.0495(5) Uani 1 1 d . . . . .
P1 P 0.46841(11) 0.53056(17) 0.63744(13) 0.0494(5) Uani 1 1 d . . . . .
O10 O 0.5532(3) 0.7609(4) 0.4147(3) 0.0517(12) Uani 1 1 d . . . . .
O11 O 0.4472(3) 0.8008(5) 0.5144(4) 0.0517(13) Uani 1 1 d . . . . .
O7 O 0.5692(3) 0.7062(5) 0.5800(3) 0.0504(12) Uani 1 1 d . . . . .
O4 O 0.5562(3) 0.5381(4) 0.4638(3) 0.0456(11) Uani 1 1 d . . . . .
O12 O 0.4333(3) 0.6304(6) 0.4002(4) 0.0582(14) Uani 1 1 d . . . . .
O1 O 0.4448(3) 0.5864(5) 0.5607(3) 0.0497(12) Uani 1 1 d . . . . .
O5 O 0.5080(4) 0.3583(5) 0.4995(4) 0.0653(16) Uani 1 1 d . . . . .
O9 O 0.6807(3) 0.6109(6) 0.5997(5) 0.0678(17) Uani 1 1 d . . . . .
O2 O 0.4607(4) 0.6106(6) 0.7099(4) 0.0696(17) Uani 1 1 d . . . . .
C12 C 0.6136(4) 0.7458(7) 0.4041(5) 0.0533(18) Uani 1 1 d . . . . .
H12 H 0.6338 0.6857 0.4271 0.064 Uiso 1 1 calc R . . . .
O3 O 0.4126(4) 0.4471(7) 0.6549(6) 0.084(2) Uani 1 1 d . . . . .
O8 O 0.6261(5) 0.6897(6) 0.7137(5) 0.080(2) Uani 1 1 d . . . . .
N1 N 0.6498(4) 0.8076(7) 0.3637(5) 0.065(2) Uani 1 1 d . . . . .
O6 O 0.6271(4) 0.3796(6) 0.4905(5) 0.075(2) Uani 1 1 d . . . . .
N3 N 0.3317(4) 0.6472(8) 0.3379(5) 0.069(2) Uani 1 1 d . . . . .
C15 C 0.4723(5) 0.8913(7) 0.5295(5) 0.056(2) Uani 1 1 d . . . . .
H15 H 0.5182 0.8998 0.5284 0.067 Uiso 1 1 calc R . . . .
C3 C 0.5950(8) 0.3129(9) 0.6698(8) 0.081(3) Uani 1 1 d . . . . .
H3 H 0.5916 0.2590 0.6320 0.097 Uiso 1 1 calc R . . . .
N2 N 0.4369(5) 0.9710(7) 0.5462(5) 0.070(2) Uani 1 1 d . . . . .
C10 C 0.5924(7) 0.7831(10) 0.7371(8) 0.086(3) Uani 1 1 d . . . . .
H10A H 0.6096 0.8436 0.7106 0.130 Uiso 1 1 calc GR . . . .
H10B H 0.5995 0.7922 0.7936 0.130 Uiso 1 1 calc GR . . . .
H10C H 0.5455 0.7762 0.7230 0.130 Uiso 1 1 calc GR . . . .
C18 C 0.3834(5) 0.6819(8) 0.3803(6) 0.066(2) Uani 1 1 d . . . . .
H18 H 0.3825 0.7522 0.3971 0.079 Uiso 1 1 calc R . . . .
C9 C 0.6862(7) 0.4245(12) 0.4631(11) 0.100(5) Uani 1 1 d . . . . .
H9A H 0.6749 0.4689 0.4179 0.151 Uiso 1 1 calc GR . . . .
H9B H 0.7154 0.3688 0.4481 0.151 Uiso 1 1 calc GR . . . .
H9C H 0.7082 0.4662 0.5047 0.151 Uiso 1 1 calc GR . . . .
C4 C 0.6477(7) 0.3736(11) 0.6855(8) 0.087(4) Uani 1 1 d . . . . .
H4 H 0.6874 0.3678 0.6605 0.104 Uiso 1 1 calc R . . . .
C6 C 0.4022(7) 0.6806(11) 0.7066(8) 0.089(4) Uani 1 1 d . . . . .
H6A H 0.4018 0.7239 0.6598 0.134 Uiso 1 1 calc GR . . . .
H6B H 0.4042 0.7252 0.7529 0.134 Uiso 1 1 calc GR . . . .
H6C H 0.3623 0.6384 0.7052 0.134 Uiso 1 1 calc GR . . . .
C1 C 0.5689(10) 0.4263(14) 0.7656(7) 0.106(6) Uani 1 1 d . . . . .
H1 H 0.5458 0.4620 0.8034 0.127 Uiso 1 1 calc R . . . .
C2 C 0.5464(8) 0.3420(12) 0.7180(10) 0.099(5) Uani 1 1 d . . . . .
H2 H 0.5046 0.3104 0.7189 0.119 Uiso 1 1 calc R . . . .
C14 C 0.6214(8) 0.9021(10) 0.3265(9) 0.096(4) Uani 1 1 d . . . . .
H14A H 0.5742 0.9035 0.3326 0.144 Uiso 1 1 calc GR . . . .
H14B H 0.6292 0.9017 0.2710 0.144 Uiso 1 1 calc GR . . . .
H14C H 0.6418 0.9637 0.3512 0.144 Uiso 1 1 calc GR . . . .
C5 C 0.6364(10) 0.4467(10) 0.7436(9) 0.104(6) Uani 1 1 d . . . . .
H5 H 0.6657 0.4982 0.7644 0.125 Uiso 1 1 calc R . . . .
C17 C 0.3638(6) 0.9597(11) 0.5507(8) 0.085(3) Uani 1 1 d . . . . .
H17A H 0.3423 0.9626 0.4982 0.128 Uiso 1 1 calc GR . . . .
H17B H 0.3475 1.0164 0.5822 0.128 Uiso 1 1 calc GR . . . .
H17C H 0.3542 0.8929 0.5748 0.128 Uiso 1 1 calc GR . . . .
C8 C 0.4886(10) 0.3342(13) 0.4191(9) 0.114(6) Uani 1 1 d . . . . .
H8A H 0.4956 0.3952 0.3866 0.171 Uiso 1 1 calc GR . . . .
H8B H 0.4422 0.3151 0.4145 0.171 Uiso 1 1 calc GR . . . .
H8C H 0.5148 0.2760 0.4018 0.171 Uiso 1 1 calc GR . . . .
C13 C 0.7191(7) 0.7862(16) 0.3548(10) 0.114(5) Uani 1 1 d . . . . .
H13A H 0.7455 0.8450 0.3751 0.171 Uiso 1 1 calc GR . . . .
H13B H 0.7261 0.7763 0.2995 0.171 Uiso 1 1 calc GR . . . .
H13C H 0.7321 0.7231 0.3837 0.171 Uiso 1 1 calc GR . . . .
C16 C 0.4650(8) 1.0770(9) 0.5581(10) 0.101(4) Uani 1 1 d . . . . .
H16A H 0.5125 1.0720 0.5678 0.152 Uiso 1 1 calc GR . . . .
H16B H 0.4462 1.1098 0.6029 0.152 Uiso 1 1 calc GR . . . .
H16C H 0.4547 1.1191 0.5114 0.152 Uiso 1 1 calc GR . . . .
C19 C 0.3275(8) 0.5322(12) 0.3199(11) 0.100(4) Uani 1 1 d . . . . .
H19A H 0.3707 0.5004 0.3304 0.150 Uiso 1 1 calc GR . . . .
H19B H 0.3131 0.5223 0.2650 0.150 Uiso 1 1 calc GR . . . .
H19C H 0.2962 0.4994 0.3528 0.150 Uiso 1 1 calc GR . . . .
C7 C 0.3777(8) 0.3833(12) 0.5926(12) 0.116(6) Uani 1 1 d . . . . .
H7A H 0.3855 0.4125 0.5416 0.174 Uiso 1 1 calc GR . . . .
H7B H 0.3307 0.3838 0.5998 0.174 Uiso 1 1 calc GR . . . .
H7C H 0.3939 0.3117 0.5957 0.174 Uiso 1 1 calc GR . . . .
C11 C 0.7268(7) 0.6963(12) 0.5911(11) 0.096(4) Uani 1 1 d . . . . .
H11A H 0.7067 0.7489 0.5560 0.145 Uiso 1 1 calc GR . . . .
H11B H 0.7665 0.6696 0.5695 0.145 Uiso 1 1 calc GR . . . .
H11C H 0.7381 0.7276 0.6422 0.145 Uiso 1 1 calc GR . . . .
C20 C 0.2732(9) 0.7068(17) 0.3170(14) 0.131(7) Uani 1 1 d . . . . .
H20A H 0.2449 0.7070 0.3607 0.197 Uiso 1 1 calc GR . . . .
H20B H 0.2497 0.6754 0.2714 0.197 Uiso 1 1 calc GR . . . .
H20C H 0.2853 0.7784 0.3048 0.197 Uiso 1 1 calc GR . . . .
S1 S 0.6774(2) 1.0062(3) 0.5906(3) 0.1016(10) Uani 1 1 d . . . . .
S2 S 0.8396(2) 0.5508(5) 0.3133(3) 0.1201(15) Uani 1 1 d . . . . .
O14 O 0.7238(8) 0.9711(14) 0.6496(8) 0.148(5) Uani 1 1 d . . . . .
O16 O 0.8045(11) 0.4743(15) 0.3513(12) 0.181(8) Uani 1 1 d . . . . .
O18 O 0.8140(6) 0.5967(17) 0.2398(9) 0.156(6) Uani 1 1 d . . . . .
F1 F 0.6778(14) 1.1485(17) 0.4831(13) 0.257(13) Uani 1 1 d . . . . .
O17 O 0.8636(11) 0.6399(12) 0.3662(12) 0.178(7) Uani 1 1 d . . . . .
O13 O 0.6610(19) 0.9353(12) 0.5296(12) 0.287(18) Uani 1 1 d . . . . .
O15 O 0.6203(9) 1.0608(18) 0.6208(12) 0.174(7) Uani 1 1 d . . . . .
C21 C 0.7215(12) 1.1091(16) 0.5427(15) 0.131(6) Uani 1 1 d . . . . .
F4 F 0.9548(5) 0.5470(12) 0.2526(9) 0.153(5) Uani 1 1 d . . . . .
F6 F 0.9459(11) 0.452(2) 0.3569(11) 0.253(12) Uani 1 1 d . . . . .
C22 C 0.9182(9) 0.4972(17) 0.2982(11) 0.119(6) Uani 1 1 d . . . . .
F2 F 0.7358(12) 1.1850(14) 0.584(2) 0.262(13) Uani 1 1 d . . . . .
F5 F 0.9016(19) 0.4047(18) 0.2485(17) 0.338(19) Uani 1 1 d . . . . .
F3 F 0.7734(12) 1.075(2) 0.5102(15) 0.308(17) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 O10 2.033(6) . ?
Ru1 O11 2.041(6) . ?
Ru1 O7 2.019(5) . ?
Ru1 O4 2.050(5) . ?
Ru1 O12 2.036(6) . ?
Ru1 O1 2.016(6) . ?
Co1 P2 2.167(2) . ?
Co1 P3 2.157(2) . ?
Co1 P1 2.155(2) . ?
Co1 C3 2.077(10) . ?
Co1 C4 2.062(10) . ?
Co1 C1 2.068(11) . ?
Co1 C2 2.074(11) . ?
Co1 C5 2.062(11) . ?
P2 O4 1.536(6) . ?
P2 O5 1.602(7) . ?
P2 O6 1.575(6) . ?
P3 O7 1.524(6) . ?
P3 O9 1.602(7) . ?
P3 O8 1.585(7) . ?
P1 O1 1.521(6) . ?
P1 O2 1.599(7) . ?
P1 O3 1.580(7) . ?
O10 C12 1.254(10) . ?
O11 C15 1.265(11) . ?
O12 C18 1.221(12) . ?
O5 C8 1.417(15) . ?
O9 C11 1.433(15) . ?
O2 C6 1.468(14) . ?
C12 H12 0.9300 . ?
C12 N1 1.291(12) . ?
O3 C7 1.463(19) . ?
O8 C10 1.426(15) . ?
N1 C14 1.445(17) . ?
N1 C13 1.436(18) . ?
O6 C9 1.420(14) . ?
N3 C18 1.297(13) . ?
N3 C19 1.481(16) . ?
N3 C20 1.419(18) . ?
C15 H15 0.9300 . ?
C15 N2 1.273(12) . ?
C3 H3 0.9300 . ?
C3 C4 1.32(2) . ?
C3 C2 1.36(2) . ?
N2 C17 1.483(16) . ?
N2 C16 1.458(16) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C18 H18 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C4 H4 0.9300 . ?
C4 C5 1.37(2) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C1 H1 0.9300 . ?
C1 C2 1.39(2) . ?
C1 C5 1.45(3) . ?
C2 H2 0.9300 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C5 H5 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
S1 O14 1.388(14) . ?
S1 O13 1.385(14) . ?
S1 O15 1.458(17) . ?
S1 C21 1.79(2) . ?
S2 O16 1.377(14) . ?
S2 O18 1.432(14) . ?
S2 O17 1.493(15) . ?
S2 C22 1.750(18) . ?
F1 C21 1.38(3) . ?
C21 F2 1.20(3) . ?
C21 F3 1.28(2) . ?
F4 C22 1.267(19) . ?
F6 C22 1.241(19) . ?
C22 F5 1.46(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O10 Ru1 O11 88.6(2) . . ?
O10 Ru1 O4 91.6(2) . . ?
O10 Ru1 O12 91.4(3) . . ?
O11 Ru1 O4 179.3(3) . . ?
O7 Ru1 O10 90.2(2) . . ?
O7 Ru1 O11 90.3(2) . . ?
O7 Ru1 O4 90.3(2) . . ?
O7 Ru1 O12 178.4(3) . . ?
O12 Ru1 O11 90.1(3) . . ?
O12 Ru1 O4 89.2(2) . . ?
O1 Ru1 O10 175.5(2) . . ?
O1 Ru1 O11 87.9(2) . . ?
O1 Ru1 O7 92.7(2) . . ?
O1 Ru1 O4 91.9(2) . . ?
O1 Ru1 O12 85.8(2) . . ?
P3 Co1 P2 91.21(9) . . ?
P1 Co1 P2 90.92(9) . . ?
P1 Co1 P3 91.06(9) . . ?
C3 Co1 P2 91.1(4) . . ?
C3 Co1 P3 143.8(5) . . ?
C3 Co1 P1 125.0(5) . . ?
C4 Co1 P2 100.6(4) . . ?
C4 Co1 P3 107.2(5) . . ?
C4 Co1 P1 158.1(4) . . ?
C4 Co1 C3 37.2(6) . . ?
C4 Co1 C1 66.0(5) . . ?
C4 Co1 C2 63.6(6) . . ?
C1 Co1 P2 155.4(5) . . ?
C1 Co1 P3 112.1(6) . . ?
C1 Co1 P1 96.2(5) . . ?
C1 Co1 C3 65.6(6) . . ?
C1 Co1 C2 39.2(7) . . ?
C2 Co1 P2 116.9(6) . . ?
C2 Co1 P3 151.2(5) . . ?
C2 Co1 P1 94.5(5) . . ?
C2 Co1 C3 38.3(6) . . ?
C5 Co1 P2 136.7(6) . . ?
C5 Co1 P3 89.5(4) . . ?
C5 Co1 P1 132.4(6) . . ?
C5 Co1 C3 65.0(5) . . ?
C5 Co1 C4 39.0(6) . . ?
C5 Co1 C1 41.2(7) . . ?
C5 Co1 C2 66.1(7) . . ?
O4 P2 Co1 119.0(2) . . ?
O4 P2 O5 108.8(4) . . ?
O4 P2 O6 105.5(3) . . ?
O5 P2 Co1 107.1(3) . . ?
O6 P2 Co1 115.3(3) . . ?
O6 P2 O5 99.3(4) . . ?
O7 P3 Co1 118.8(2) . . ?
O7 P3 O9 108.9(4) . . ?
O7 P3 O8 104.9(4) . . ?
O9 P3 Co1 105.6(3) . . ?
O8 P3 Co1 115.0(4) . . ?
O8 P3 O9 102.5(5) . . ?
O1 P1 Co1 117.8(2) . . ?
O1 P1 O2 108.5(4) . . ?
O1 P1 O3 106.4(4) . . ?
O2 P1 Co1 107.6(3) . . ?
O3 P1 Co1 115.1(3) . . ?
O3 P1 O2 99.8(5) . . ?
C12 O10 Ru1 122.5(5) . . ?
C15 O11 Ru1 123.7(6) . . ?
P3 O7 Ru1 126.4(4) . . ?
P2 O4 Ru1 123.4(3) . . ?
C18 O12 Ru1 125.0(7) . . ?
P1 O1 Ru1 126.2(3) . . ?
C8 O5 P2 120.1(8) . . ?
C11 O9 P3 122.8(8) . . ?
C6 O2 P1 118.0(8) . . ?
O10 C12 H12 117.7 . . ?
O10 C12 N1 124.6(9) . . ?
N1 C12 H12 117.7 . . ?
C7 O3 P1 122.9(9) . . ?
C10 O8 P3 124.4(7) . . ?
C12 N1 C14 120.4(10) . . ?
C12 N1 C13 121.8(12) . . ?
C13 N1 C14 117.8(11) . . ?
C9 O6 P2 126.0(8) . . ?
C18 N3 C19 118.3(10) . . ?
C18 N3 C20 125.2(12) . . ?
C20 N3 C19 115.7(12) . . ?
O11 C15 H15 118.8 . . ?
O11 C15 N2 122.3(9) . . ?
N2 C15 H15 118.8 . . ?
Co1 C3 H3 124.5 . . ?
C4 C3 Co1 70.8(7) . . ?
C4 C3 H3 125.6 . . ?
C4 C3 C2 108.8(13) . . ?
C2 C3 Co1 70.7(7) . . ?
C2 C3 H3 125.6 . . ?
C15 N2 C17 120.4(10) . . ?
C15 N2 C16 122.5(11) . . ?
C16 N2 C17 117.1(10) . . ?
O8 C10 H10A 109.5 . . ?
O8 C10 H10B 109.5 . . ?
O8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O12 C18 N3 125.7(10) . . ?
O12 C18 H18 117.2 . . ?
N3 C18 H18 117.2 . . ?
O6 C9 H9A 109.5 . . ?
O6 C9 H9B 109.5 . . ?
O6 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Co1 C4 H4 124.6 . . ?
C3 C4 Co1 72.0(7) . . ?
C3 C4 H4 124.4 . . ?
C3 C4 C5 111.2(14) . . ?
C5 C4 Co1 70.5(7) . . ?
C5 C4 H4 124.4 . . ?
O2 C6 H6A 109.5 . . ?
O2 C6 H6B 109.5 . . ?
O2 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Co1 C1 H1 124.4 . . ?
C2 C1 Co1 70.7(7) . . ?
C2 C1 H1 127.4 . . ?
C2 C1 C5 105.2(13) . . ?
C5 C1 Co1 69.2(6) . . ?
C5 C1 H1 127.4 . . ?
Co1 C2 H2 125.2 . . ?
C3 C2 Co1 70.9(7) . . ?
C3 C2 C1 109.4(14) . . ?
C3 C2 H2 125.3 . . ?
C1 C2 Co1 70.2(7) . . ?
C1 C2 H2 125.3 . . ?
N1 C14 H14A 109.5 . . ?
N1 C14 H14B 109.5 . . ?
N1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Co1 C5 H5 124.2 . . ?
C4 C5 Co1 70.5(7) . . ?
C4 C5 C1 105.5(13) . . ?
C4 C5 H5 127.3 . . ?
C1 C5 Co1 69.6(7) . . ?
C1 C5 H5 127.3 . . ?
N2 C17 H17A 109.5 . . ?
N2 C17 H17B 109.5 . . ?
N2 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O5 C8 H8A 109.5 . . ?
O5 C8 H8B 109.5 . . ?
O5 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C13 H13A 109.5 . . ?
N1 C13 H13B 109.5 . . ?
N1 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N2 C16 H16A 109.5 . . ?
N2 C16 H16B 109.5 . . ?
N2 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N3 C19 H19A 109.5 . . ?
N3 C19 H19B 109.5 . . ?
N3 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O3 C7 H7A 109.5 . . ?
O3 C7 H7B 109.5 . . ?
O3 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O9 C11 H11A 109.5 . . ?
O9 C11 H11B 109.5 . . ?
O9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N3 C20 H20A 109.5 . . ?
N3 C20 H20B 109.5 . . ?
N3 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O14 S1 O15 113.9(11) . . ?
O14 S1 C21 103.0(11) . . ?
O13 S1 O14 116.1(13) . . ?
O13 S1 O15 114.3(19) . . ?
O13 S1 C21 103.4(15) . . ?
O15 S1 C21 103.9(11) . . ?
O16 S2 O18 121.3(13) . . ?
O16 S2 O17 113.8(12) . . ?
O16 S2 C22 107.0(12) . . ?
O18 S2 O17 107.1(13) . . ?
O18 S2 C22 107.8(8) . . ?
O17 S2 C22 96.9(13) . . ?
F1 C21 S1 106.1(19) . . ?
F2 C21 S1 115(2) . . ?
F2 C21 F1 104.4(19) . . ?
F2 C21 F3 110(3) . . ?
F3 C21 S1 112.8(17) . . ?
F3 C21 F1 108(2) . . ?
F4 C22 S2 117.6(12) . . ?
F4 C22 F5 99.6(18) . . ?
F6 C22 S2 114.9(14) . . ?
F6 C22 F4 118(2) . . ?
F6 C22 F5 99(2) . . ?
F5 C22 S2 102.6(19) . . ?

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
Ru1 O10 C12 N1 -172.6(7) . . . . ?
Ru1 O11 C15 N2 -178.7(7) . . . . ?
Ru1 O12 C18 N3 -162.4(9) . . . . ?
Co1 P2 O4 Ru1 -31.3(5) . . . . ?
Co1 P2 O5 C8 172.3(11) . . . . ?
Co1 P2 O6 C9 -93.1(12) . . . . ?
Co1 P3 O7 Ru1 -24.4(6) . . . . ?
Co1 P3 O9 C11 -172.4(10) . . . . ?
Co1 P3 O8 C10 -113.9(10) . . . . ?
Co1 P1 O1 Ru1 -30.6(5) . . . . ?
Co1 P1 O2 C6 166.3(8) . . . . ?
Co1 P1 O3 C7 -92.5(11) . . . . ?
Co1 C3 C4 C5 59.9(8) . . . . ?
Co1 C3 C2 C1 -59.9(8) . . . . ?
Co1 C4 C5 C1 61.3(7) . . . . ?
Co1 C1 C2 C3 60.3(9) . . . . ?
Co1 C1 C5 C4 -61.9(7) . . . . ?
O10 C12 N1 C14 -0.1(15) . . . . ?
O10 C12 N1 C13 179.2(11) . . . . ?
O11 C15 N2 C17 1.6(15) . . . . ?
O11 C15 N2 C16 -175.5(11) . . . . ?
O7 P3 O9 C11 59.0(11) . . . . ?
O7 P3 O8 C10 18.5(11) . . . . ?
O4 P2 O5 C8 42.5(13) . . . . ?
O4 P2 O6 C9 40.2(12) . . . . ?
O1 P1 O2 C6 37.8(9) . . . . ?
O1 P1 O3 C7 40.0(11) . . . . ?
O5 P2 O4 Ru1 91.6(5) . . . . ?
O5 P2 O6 C9 152.9(12) . . . . ?
O9 P3 O7 Ru1 96.4(5) . . . . ?
O9 P3 O8 C10 132.1(10) . . . . ?
O2 P1 O1 Ru1 91.9(5) . . . . ?
O2 P1 O3 C7 152.7(11) . . . . ?
O3 P1 O1 Ru1 -161.5(5) . . . . ?
O3 P1 O2 C6 -73.3(9) . . . . ?
O8 P3 O7 Ru1 -154.5(5) . . . . ?
O8 P3 O9 C11 -51.7(11) . . . . ?
O6 P2 O4 Ru1 -162.6(5) . . . . ?
O6 P2 O5 C8 -67.5(12) . . . . ?
C3 C4 C5 Co1 -60.8(9) . . . . ?
C3 C4 C5 C1 0.5(12) . . . . ?
C4 C3 C2 Co1 60.8(8) . . . . ?
C4 C3 C2 C1 1.0(14) . . . . ?
C2 C3 C4 Co1 -60.8(8) . . . . ?
C2 C3 C4 C5 -0.9(13) . . . . ?
C2 C1 C5 Co1 62.0(8) . . . . ?
C2 C1 C5 C4 0.1(12) . . . . ?
C5 C1 C2 Co1 -61.0(7) . . . . ?
C5 C1 C2 C3 -0.7(13) . . . . ?
C19 N3 C18 O12 8.5(19) . . . . ?
C20 N3 C18 O12 178.1(16) . . . . ?
O14 S1 C21 F1 -179.6(16) . . . . ?
O14 S1 C21 F2 -65(2) . . . . ?
O14 S1 C21 F3 63(3) . . . . ?
O16 S2 C22 F4 168.5(19) . . . . ?
O16 S2 C22 F6 -46(3) . . . . ?
O16 S2 C22 F5 60.5(16) . . . . ?
O18 S2 C22 F4 36(2) . . . . ?
O18 S2 C22 F6 -178(2) . . . . ?
O18 S2 C22 F5 -71.5(16) . . . . ?
O17 S2 C22 F4 -74(2) . . . . ?
O17 S2 C22 F6 71(2) . . . . ?
O17 S2 C22 F5 178.0(15) . . . . ?
O13 S1 C21 F1 59(2) . . . . ?
O13 S1 C21 F2 174(2) . . . . ?
O13 S1 C21 F3 -59(3) . . . . ?
O15 S1 C21 F1 -60.5(19) . . . . ?
O15 S1 C21 F2 54(2) . . . . ?
O15 S1 C21 F3 -178(2) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_LRuNOnaphcat
_database_code_depnum_ccdc_archive 'CCDC 1522506'
_audit_update_record             
;
2016-12-13 deposited with the CCDC.
2016-12-22 downloaded from the CCDC.
;
_audit_creation_date             2016-09-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H29 Co N O12 P3 Ru'
_chemical_formula_sum            'C21 H29 Co N O12 P3 Ru'
_chemical_formula_weight         740.36
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ru Ru -1.2594 0.8363 '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'
P P 0.1023 0.0942 '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'
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.4496(16)
_cell_length_b                   11.5244(17)
_cell_length_c                   22.855(4)
_cell_angle_alpha                90
_cell_angle_beta                 97.413(3)
_cell_angle_gamma                90
_cell_volume                     2729.3(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    12939
_cell_measurement_temperature    98
_cell_measurement_theta_max      40.2
_cell_measurement_theta_min      2.0
_shelx_estimated_absorpt_T_max   0.873
_shelx_estimated_absorpt_T_min   0.787
_exptl_absorpt_coefficient_mu    1.399
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.430
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.802
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0759
_diffrn_reflns_av_unetI/netI     0.0536
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14121
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         1.965
_diffrn_ambient_temperature      98
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details      
;
scan:
	Number of images: 270
	           Slice: -125.0000 - 10.0000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 0.0000
	             Phi: 0.0000
	             XTD: 34.4966
	          2theta: -34.6962
scan:
	Number of images: 112
	           Slice: -68.0000 - -12.0000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 70.0000
	             Phi: 180.0000
	             XTD: 34.4966
	          2theta: -34.6962
scan:
	Number of images: 108
	           Slice: -65.0000 - -11.0000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 70.0000
	             Phi: 0.0000
	             XTD: 34.4966
	          2theta: -34.6962
scan:
	Number of images: 62
	           Slice: -65.0000 - -34.0000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 0.0000
	             Phi: 90.0000
	             XTD: 34.4966
	          2theta: -34.6962
;
_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 Fiber
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      0.003614
_diffrn_orient_matrix_UB_12      0.067969
_diffrn_orient_matrix_UB_13      0.068412
_diffrn_orient_matrix_UB_21      -0.058051
_diffrn_orient_matrix_UB_22      0.047260
_diffrn_orient_matrix_UB_23      -0.043887
_diffrn_orient_matrix_UB_31      -0.032266
_diffrn_orient_matrix_UB_32      -0.015912
_diffrn_orient_matrix_UB_33      0.025544
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   'Sealed Tube'
_diffrn_source_current           40.0
_diffrn_source_power             2.0
_diffrn_source_voltage           50.0
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4608
_reflns_number_total             5033
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)
;
_computing_data_collection       
;
CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)
;
_computing_data_reduction        
;
CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.291
_refine_diff_density_min         -1.788
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         5033
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0478
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0560P)²+6.9280P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1212
_refine_ls_wR_factor_ref         0.1258
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C20) = Uanis(C21) = Uanis(C17) = Uanis(C18) = Uanis(C19) = Uanis(Co1)
3.a Aromatic/amide H refined with riding coordinates:
 C15(H15), C17(H17), C8(H8), C11(H11), C20(H20), C21(H21), C12(H12), C10(H10),
 C18(H18), C19(H19), C13(H13)
3.b Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C3(H3A,H3B,H3C), C2(H2A,H2B,H2C), C1(H1A,
 H1B,H1C), C6(H6A,H6B,H6C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
Ru1 Ru 0.43585(3) 0.24712(2) 0.38631(2) 0.01249(13) Uani 1 1 d . . . . .
Co1 Co 0.81667(5) 0.24988(4) 0.40337(2) 0.01571(15) Uani 1 1 d . . . . .
P1 P 0.69035(10) 0.24105(8) 0.32108(4) 0.0151(2) Uani 1 1 d . . . . .
P2 P 0.69956(9) 0.12752(9) 0.44444(4) 0.0142(2) Uani 1 1 d . . . . .
P3 P 0.70017(9) 0.38858(9) 0.43110(4) 0.0157(2) Uani 1 1 d . . . . .
O1 O 0.5473(3) 0.2709(2) 0.32158(11) 0.0162(5) Uani 1 1 d . . . . .
O10 O 0.3344(2) 0.1394(2) 0.33092(11) 0.0159(5) Uani 1 1 d . . . . .
O7 O 0.5575(2) 0.3666(2) 0.43491(11) 0.0163(5) Uani 1 1 d . . . . .
O11 O 0.3247(2) 0.3703(2) 0.34619(11) 0.0161(5) Uani 1 1 d . . . . .
O4 O 0.5604(2) 0.1126(2) 0.41552(11) 0.0155(5) Uani 1 1 d . . . . .
O6 O 0.7017(2) 0.1624(2) 0.51226(11) 0.0177(6) Uani 1 1 d . . . . .
O3 O 0.7423(3) 0.3267(2) 0.27467(11) 0.0212(6) Uani 1 1 d . . . . .
O5 O 0.7565(2) -0.0017(2) 0.45206(11) 0.0190(6) Uani 1 1 d . . . . .
O2 O 0.6970(3) 0.1155(2) 0.29214(12) 0.0212(6) Uani 1 1 d . . . . .
O9 O 0.7144(3) 0.4933(2) 0.38633(12) 0.0224(6) Uani 1 1 d . . . . .
O8 O 0.7588(3) 0.4412(3) 0.49328(12) 0.0240(6) Uani 1 1 d . . . . .
N1 N 0.3435(3) 0.2327(3) 0.44301(14) 0.0160(7) Uani 1 1 d . . . . .
O12 O 0.2865(3) 0.2264(3) 0.48330(13) 0.0279(7) Uani 1 1 d . . . . .
C16 C 0.2434(3) 0.3232(3) 0.30150(15) 0.0139(7) Uani 1 1 d . . . . .
C7 C 0.2527(3) 0.2010(3) 0.29157(15) 0.0150(7) Uani 1 1 d . . . . .
C14 C 0.0785(3) 0.3379(3) 0.21727(16) 0.0171(8) Uani 1 1 d . . . . .
C9 C 0.0958(4) 0.2181(4) 0.20460(17) 0.0187(8) Uani 1 1 d . . . . .
C15 C 0.1552(3) 0.3895(3) 0.26621(15) 0.0154(7) Uani 1 1 d . . . . .
H15 H 0.1459 0.4679 0.2744 0.019 Uiso 1 1 calc R . . . .
C17 C 0.9749(3) 0.2139(3) 0.35901(16) 0.01571(15) Uani 1 1 d . . . . .
H17 H 0.9717 0.1856 0.3207 0.019 Uiso 1 1 calc R . . . .
C8 C 0.1833(4) 0.1507(3) 0.24289(16) 0.0168(7) Uani 1 1 d . . . . .
H8 H 0.1939 0.0723 0.2352 0.020 Uiso 1 1 calc R . . . .
C11 C -0.0589(4) 0.2375(4) 0.11572(19) 0.0240(9) Uani 1 1 d . . . . .
H11 H -0.1031 0.2052 0.0817 0.029 Uiso 1 1 calc R . . . .
C20 C 0.9847(3) 0.2236(3) 0.46020(16) 0.01571(15) Uani 1 1 d . . . . .
H20 H 0.9872 0.2028 0.4996 0.019 Uiso 1 1 calc R . . . .
C21 C 0.9810(3) 0.1447(3) 0.41103(16) 0.01571(15) Uani 1 1 d . . . . .
H21 H 0.9824 0.0641 0.4129 0.019 Uiso 1 1 calc R . . . .
C4 C 0.6151(4) 0.1047(4) 0.54779(17) 0.0254(9) Uani 1 1 d . . . . .
H4A H 0.5292 0.1046 0.5270 0.038 Uiso 1 1 calc GR . . . .
H4B H 0.6157 0.1451 0.5845 0.038 Uiso 1 1 calc GR . . . .
H4C H 0.6433 0.0262 0.5553 0.038 Uiso 1 1 calc GR . . . .
C12 C -0.0779(4) 0.3553(4) 0.12924(17) 0.0226(9) Uani 1 1 d . . . . .
H12 H -0.1354 0.4003 0.1043 0.027 Uiso 1 1 calc R . . . .
C10 C 0.0250(4) 0.1705(4) 0.15293(16) 0.0223(8) Uani 1 1 d . . . . .
H10 H 0.0355 0.0926 0.1441 0.027 Uiso 1 1 calc R . . . .
C18 C 0.9743(3) 0.3326(3) 0.37500(16) 0.01571(15) Uani 1 1 d . . . . .
H18 H 0.9687 0.3953 0.3492 0.019 Uiso 1 1 calc R . . . .
C19 C 0.9838(3) 0.3386(3) 0.43793(16) 0.01571(15) Uani 1 1 d . . . . .
H19 H 0.9885 0.4062 0.4604 0.019 Uiso 1 1 calc R . . . .
C5 C 0.6850(4) 0.4560(4) 0.54178(17) 0.0264(9) Uani 1 1 d . . . . .
H5A H 0.6135 0.5068 0.5301 0.040 Uiso 1 1 calc GR . . . .
H5B H 0.7389 0.4890 0.5748 0.040 Uiso 1 1 calc GR . . . .
H5C H 0.6534 0.3820 0.5528 0.040 Uiso 1 1 calc GR . . . .
C13 C -0.0118(3) 0.4034(4) 0.17900(17) 0.0195(8) Uani 1 1 d . . . . .
H13 H -0.0264 0.4806 0.1879 0.023 Uiso 1 1 calc R . . . .
C3 C 0.7430(4) -0.0795(4) 0.40178(17) 0.0228(8) Uani 1 1 d . . . . .
H3A H 0.7726 -0.0414 0.3687 0.034 Uiso 1 1 calc GR . . . .
H3B H 0.6539 -0.1004 0.3920 0.034 Uiso 1 1 calc GR . . . .
H3C H 0.7934 -0.1481 0.4114 0.034 Uiso 1 1 calc GR . . . .
C2 C 0.6735(4) 0.3321(4) 0.21558(17) 0.0267(9) Uani 1 1 d . . . . .
H2A H 0.7003 0.2689 0.1926 0.040 Uiso 1 1 calc GR . . . .
H2B H 0.6922 0.4043 0.1976 0.040 Uiso 1 1 calc GR . . . .
H2C H 0.5824 0.3265 0.2174 0.040 Uiso 1 1 calc GR . . . .
C1 C 0.5853(4) 0.0553(4) 0.2631(2) 0.0297(10) Uani 1 1 d . . . . .
H1A H 0.5634 0.0857 0.2240 0.045 Uiso 1 1 calc GR . . . .
H1B H 0.5139 0.0662 0.2851 0.045 Uiso 1 1 calc GR . . . .
H1C H 0.6041 -0.0260 0.2609 0.045 Uiso 1 1 calc GR . . . .
C6 C 0.6360(5) 0.5951(4) 0.3870(2) 0.0337(11) Uani 1 1 d . . . . .
H6A H 0.6547 0.6472 0.3565 0.051 Uiso 1 1 calc GR . . . .
H6B H 0.6540 0.6327 0.4247 0.051 Uiso 1 1 calc GR . . . .
H6C H 0.5465 0.5735 0.3804 0.051 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 O1 2.016(3) . ?
Ru1 O10 1.980(3) . ?
Ru1 O7 2.094(3) . ?
Ru1 O11 1.982(3) . ?
Ru1 O4 2.078(3) . ?
Ru1 N1 1.720(3) . ?
Co1 P1 2.1563(12) . ?
Co1 P2 2.1595(11) . ?
Co1 P3 2.1535(11) . ?
Co1 C17 2.089(4) . ?
Co1 C20 2.067(4) . ?
Co1 C21 2.091(4) . ?
Co1 C18 2.078(4) . ?
Co1 C19 2.088(4) . ?
P1 O1 1.536(3) . ?
P1 O3 1.594(3) . ?
P1 O2 1.596(3) . ?
P2 O4 1.528(3) . ?
P2 O6 1.599(3) . ?
P2 O5 1.605(3) . ?
P3 O7 1.525(3) . ?
P3 O9 1.601(3) . ?
P3 O8 1.593(3) . ?
O10 C7 1.358(4) . ?
O11 C16 1.355(4) . ?
O6 C4 1.452(4) . ?
O3 C2 1.447(5) . ?
O5 C3 1.450(5) . ?
O2 C1 1.444(5) . ?
O9 C6 1.433(5) . ?
O8 C5 1.440(4) . ?
N1 O12 1.162(4) . ?
C16 C7 1.432(5) . ?
C16 C15 1.376(5) . ?
C7 C8 1.375(5) . ?
C14 C9 1.427(6) . ?
C14 C15 1.420(5) . ?
C14 C13 1.418(5) . ?
C9 C8 1.414(5) . ?
C9 C10 1.421(5) . ?
C15 H15 0.9300 . ?
C17 H17 0.9300 . ?
C17 C21 1.426(5) . ?
C17 C18 1.416(5) . ?
C8 H8 0.9300 . ?
C11 H11 0.9300 . ?
C11 C12 1.411(6) . ?
C11 C10 1.377(6) . ?
C20 H20 0.9300 . ?
C20 C21 1.442(5) . ?
C20 C19 1.419(5) . ?
C21 H21 0.9300 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C12 H12 0.9300 . ?
C12 C13 1.369(6) . ?
C10 H10 0.9300 . ?
C18 H18 0.9300 . ?
C18 C19 1.431(5) . ?
C19 H19 0.9300 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C13 H13 0.9300 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Ru1 O7 86.05(10) . . ?
O1 Ru1 O4 86.57(10) . . ?
O10 Ru1 O1 85.90(11) . . ?
O10 Ru1 O7 171.89(10) . . ?
O10 Ru1 O11 85.41(11) . . ?
O10 Ru1 O4 89.94(10) . . ?
O11 Ru1 O1 85.55(11) . . ?
O11 Ru1 O7 93.08(11) . . ?
O11 Ru1 O4 171.12(10) . . ?
O4 Ru1 O7 90.47(10) . . ?
N1 Ru1 O1 177.35(13) . . ?
N1 Ru1 O10 96.61(13) . . ?
N1 Ru1 O7 91.44(13) . . ?
N1 Ru1 O11 93.76(13) . . ?
N1 Ru1 O4 94.29(13) . . ?
P1 Co1 P2 91.77(4) . . ?
P3 Co1 P1 89.20(4) . . ?
P3 Co1 P2 89.04(4) . . ?
C17 Co1 P1 90.05(11) . . ?
C17 Co1 P2 127.54(11) . . ?
C17 Co1 P3 143.41(11) . . ?
C17 Co1 C21 39.89(14) . . ?
C20 Co1 P1 156.33(11) . . ?
C20 Co1 P2 96.56(11) . . ?
C20 Co1 P3 112.98(11) . . ?
C20 Co1 C17 67.34(14) . . ?
C20 Co1 C21 40.59(14) . . ?
C20 Co1 C18 67.67(15) . . ?
C20 Co1 C19 39.94(14) . . ?
C21 Co1 P1 116.70(10) . . ?
C21 Co1 P2 95.19(11) . . ?
C21 Co1 P3 153.52(10) . . ?
C18 Co1 P1 99.79(10) . . ?
C18 Co1 P2 162.11(11) . . ?
C18 Co1 P3 104.62(11) . . ?
C18 Co1 C17 39.74(14) . . ?
C18 Co1 C21 67.44(15) . . ?
C18 Co1 C19 40.16(14) . . ?
C19 Co1 P1 137.79(11) . . ?
C19 Co1 P2 130.42(11) . . ?
C19 Co1 P3 90.12(10) . . ?
C19 Co1 C17 66.77(14) . . ?
C19 Co1 C21 67.33(14) . . ?
O1 P1 Co1 118.03(11) . . ?
O1 P1 O3 106.33(15) . . ?
O1 P1 O2 107.50(15) . . ?
O3 P1 Co1 109.18(11) . . ?
O3 P1 O2 104.41(15) . . ?
O2 P1 Co1 110.47(11) . . ?
O4 P2 Co1 116.54(11) . . ?
O4 P2 O6 109.94(14) . . ?
O4 P2 O5 105.17(15) . . ?
O6 P2 Co1 108.64(11) . . ?
O6 P2 O5 99.76(14) . . ?
O5 P2 Co1 115.47(11) . . ?
O7 P3 Co1 119.17(11) . . ?
O7 P3 O9 109.49(15) . . ?
O7 P3 O8 106.17(14) . . ?
O9 P3 Co1 105.58(11) . . ?
O8 P3 Co1 112.21(11) . . ?
O8 P3 O9 103.07(16) . . ?
P1 O1 Ru1 129.04(16) . . ?
C7 O10 Ru1 109.5(2) . . ?
P3 O7 Ru1 127.57(15) . . ?
C16 O11 Ru1 109.6(2) . . ?
P2 O4 Ru1 125.22(15) . . ?
C4 O6 P2 119.7(2) . . ?
C2 O3 P1 118.5(2) . . ?
C3 O5 P2 119.4(2) . . ?
C1 O2 P1 123.4(3) . . ?
C6 O9 P3 120.6(2) . . ?
C5 O8 P3 123.3(2) . . ?
O12 N1 Ru1 176.2(3) . . ?
O11 C16 C7 117.7(3) . . ?
O11 C16 C15 121.8(3) . . ?
C15 C16 C7 120.5(3) . . ?
O10 C7 C16 117.3(3) . . ?
O10 C7 C8 122.4(3) . . ?
C8 C7 C16 120.2(3) . . ?
C15 C14 C9 119.5(3) . . ?
C13 C14 C9 118.8(3) . . ?
C13 C14 C15 121.7(4) . . ?
C8 C9 C14 119.7(3) . . ?
C8 C9 C10 121.9(4) . . ?
C10 C9 C14 118.4(4) . . ?
C16 C15 C14 119.7(3) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
Co1 C17 H17 126.3 . . ?
C21 C17 Co1 70.1(2) . . ?
C21 C17 H17 125.5 . . ?
C18 C17 Co1 69.7(2) . . ?
C18 C17 H17 125.5 . . ?
C18 C17 C21 109.0(3) . . ?
C7 C8 C9 120.0(4) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0(4) . . ?
Co1 C20 H20 124.2 . . ?
C21 C20 Co1 70.6(2) . . ?
C21 C20 H20 125.9 . . ?
C19 C20 Co1 70.8(2) . . ?
C19 C20 H20 125.9 . . ?
C19 C20 C21 108.1(3) . . ?
Co1 C21 H21 126.2 . . ?
C17 C21 Co1 70.0(2) . . ?
C17 C21 C20 106.9(3) . . ?
C17 C21 H21 126.5 . . ?
C20 C21 Co1 68.8(2) . . ?
C20 C21 H21 126.5 . . ?
O6 C4 H4A 109.5 . . ?
O6 C4 H4B 109.5 . . ?
O6 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0(4) . . ?
C13 C12 H12 120.0 . . ?
C9 C10 H10 119.4 . . ?
C11 C10 C9 121.2(4) . . ?
C11 C10 H10 119.4 . . ?
Co1 C18 H18 124.6 . . ?
C17 C18 Co1 70.6(2) . . ?
C17 C18 H18 126.1 . . ?
C17 C18 C19 107.7(3) . . ?
C19 C18 Co1 70.3(2) . . ?
C19 C18 H18 126.1 . . ?
Co1 C19 H19 126.9 . . ?
C20 C19 Co1 69.2(2) . . ?
C20 C19 C18 108.2(3) . . ?
C20 C19 H19 125.9 . . ?
C18 C19 Co1 69.5(2) . . ?
C18 C19 H19 125.9 . . ?
O8 C5 H5A 109.5 . . ?
O8 C5 H5B 109.5 . . ?
O8 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C14 C13 H13 119.3 . . ?
C12 C13 C14 121.4(4) . . ?
C12 C13 H13 119.3 . . ?
O5 C3 H3A 109.5 . . ?
O5 C3 H3B 109.5 . . ?
O5 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O3 C2 H2A 109.5 . . ?
O3 C2 H2B 109.5 . . ?
O3 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O2 C1 H1A 109.5 . . ?
O2 C1 H1B 109.5 . . ?
O2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O9 C6 H6A 109.5 . . ?
O9 C6 H6B 109.5 . . ?
O9 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?

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
Ru1 O10 C7 C16 -7.6(4) . . . . ?
Ru1 O10 C7 C8 170.7(3) . . . . ?
Ru1 O11 C16 C7 -0.6(4) . . . . ?
Ru1 O11 C16 C15 180.0(3) . . . . ?
Co1 P1 O1 Ru1 -31.7(2) . . . . ?
Co1 P1 O3 C2 178.3(3) . . . . ?
Co1 P1 O2 C1 139.9(3) . . . . ?
Co1 P2 O4 Ru1 -44.9(2) . . . . ?
Co1 P2 O6 C4 170.8(3) . . . . ?
Co1 P2 O5 C3 -79.1(3) . . . . ?
Co1 P3 O7 Ru1 -27.5(2) . . . . ?
Co1 P3 O9 C6 171.8(3) . . . . ?
Co1 P3 O8 C5 -128.9(3) . . . . ?
Co1 C17 C21 C20 -59.2(2) . . . . ?
Co1 C17 C18 C19 60.8(2) . . . . ?
Co1 C20 C21 C17 59.9(2) . . . . ?
Co1 C20 C19 C18 -58.8(2) . . . . ?
Co1 C18 C19 C20 58.6(3) . . . . ?
O1 P1 O3 C2 -53.4(3) . . . . ?
O1 P1 O2 C1 9.9(3) . . . . ?
O10 C7 C8 C9 177.5(3) . . . . ?
O7 P3 O9 C6 42.3(3) . . . . ?
O7 P3 O8 C5 2.9(4) . . . . ?
O11 C16 C7 O10 5.7(4) . . . . ?
O11 C16 C7 C8 -172.6(3) . . . . ?
O11 C16 C15 C14 175.4(3) . . . . ?
O4 P2 O6 C4 42.2(3) . . . . ?
O4 P2 O5 C3 50.8(3) . . . . ?
O6 P2 O4 Ru1 79.3(2) . . . . ?
O6 P2 O5 C3 164.7(3) . . . . ?
O3 P1 O1 Ru1 -154.66(18) . . . . ?
O3 P1 O2 C1 -102.8(3) . . . . ?
O5 P2 O4 Ru1 -174.17(16) . . . . ?
O5 P2 O6 C4 -68.0(3) . . . . ?
O2 P1 O1 Ru1 94.0(2) . . . . ?
O2 P1 O3 C2 60.1(3) . . . . ?
O9 P3 O7 Ru1 94.1(2) . . . . ?
O9 P3 O8 C5 118.0(3) . . . . ?
O8 P3 O7 Ru1 -155.25(18) . . . . ?
O8 P3 O9 C6 -70.3(3) . . . . ?
C16 C7 C8 C9 -4.3(5) . . . . ?
C7 C16 C15 C14 -4.0(5) . . . . ?
C14 C9 C8 C7 -1.0(5) . . . . ?
C14 C9 C10 C11 -0.1(6) . . . . ?
C9 C14 C15 C16 -1.3(5) . . . . ?
C9 C14 C13 C12 -2.8(5) . . . . ?
C15 C16 C7 O10 -174.8(3) . . . . ?
C15 C16 C7 C8 6.9(5) . . . . ?
C15 C14 C9 C8 3.9(5) . . . . ?
C15 C14 C9 C10 -175.3(3) . . . . ?
C15 C14 C13 C12 174.7(3) . . . . ?
C17 C18 C19 Co1 -61.0(2) . . . . ?
C17 C18 C19 C20 -2.4(4) . . . . ?
C8 C9 C10 C11 -179.3(4) . . . . ?
C11 C12 C13 C14 1.3(6) . . . . ?
C21 C17 C18 Co1 -59.2(3) . . . . ?
C21 C17 C18 C19 1.6(4) . . . . ?
C21 C20 C19 Co1 61.1(3) . . . . ?
C21 C20 C19 C18 2.3(4) . . . . ?
C12 C11 C10 C9 -1.3(6) . . . . ?
C10 C9 C8 C7 178.2(3) . . . . ?
C10 C11 C12 C13 0.8(6) . . . . ?
C18 C17 C21 Co1 59.0(3) . . . . ?
C18 C17 C21 C20 -0.2(4) . . . . ?
C19 C20 C21 Co1 -61.2(3) . . . . ?
C19 C20 C21 C17 -1.3(4) . . . . ?
C13 C14 C9 C8 -178.6(3) . . . . ?
C13 C14 C9 C10 2.2(5) . . . . ?
C13 C14 C15 C16 -178.7(3) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_exptl_crystal_mounting_method 'nylon loop'
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_LRuNOBr4cat
_database_code_depnum_ccdc_archive 'CCDC 1522507'
_audit_update_record             
;
2016-12-13 deposited with the CCDC.
2016-12-22 downloaded from the CCDC.
;
_audit_creation_date             2016-08-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H23 Br4 Co N O12 P3 Ru'
_chemical_formula_sum            'C17 H23 Br4 Co N O12 P3 Ru'
_chemical_formula_weight         1005.91
_chemical_absolute_configuration .
_chemical_melting_point          ?
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'
Br Br -0.2901 2.4595 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'

_cell_length_a                   24.071(3)
_cell_length_b                   14.2382(17)
_cell_length_c                   17.677(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6058.5(13)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    29419
_cell_measurement_temperature    98
_cell_measurement_theta_max      27.7
_cell_measurement_theta_min      3.0
_shelx_estimated_absorpt_T_max   0.484
_shelx_estimated_absorpt_T_min   0.245
_exptl_absorpt_coefficient_mu    6.536
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.594
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.206
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plank
_exptl_crystal_F_000             3872
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.13
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0485
_diffrn_reflns_av_unetI/netI     0.0556
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            45644
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.433
_diffrn_reflns_theta_min         2.984
_diffrn_ambient_temperature      98
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_details      
;
scan:
	Number of images: 246
	           Slice: -68.0000 - 55.0000
	     Image width: 0.5000
	        Exp time: 35.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 70.0000
	             Phi: 90.0000
	             XTD: 35.0000
	          2theta: -35.0000
scan:
	Number of images: 222
	           Slice: -67.0000 - 44.0000
	     Image width: 0.5000
	        Exp time: 35.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 70.0000
	             Phi: 270.0000
	             XTD: 35.0000
	          2theta: -35.0000
scan:
	Number of images: 122
	           Slice: -81.0000 - -20.0000
	     Image width: 0.5000
	        Exp time: 35.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 0.0000
	             Phi: 90.0000
	             XTD: 35.0000
	          2theta: -35.0000
scan:
	Number of images: 60
	           Slice: -115.0000 - -85.0000
	     Image width: 0.5000
	        Exp time: 35.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 0.0000
	             Phi: 0.0000
	             XTD: 35.0000
	          2theta: -35.0000
scan:
	Number of images: 56
	           Slice: -61.0000 - -33.0000
	     Image width: 0.5000
	        Exp time: 35.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 70.0000
	             Phi: 180.0000
	             XTD: 35.0000
	          2theta: -35.0000
;
_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 Fiber
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      -0.030540
_diffrn_orient_matrix_UB_12      -0.022213
_diffrn_orient_matrix_UB_13      -0.059872
_diffrn_orient_matrix_UB_21      0.045726
_diffrn_orient_matrix_UB_22      -0.031441
_diffrn_orient_matrix_UB_23      -0.012618
_diffrn_orient_matrix_UB_31      -0.016451
_diffrn_orient_matrix_UB_32      -0.032665
_diffrn_orient_matrix_UB_33      0.020439
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   'Sealed Tube'
_diffrn_source_current           40.0
_diffrn_source_power             2.0
_diffrn_source_voltage           50.0
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.936
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.979
_reflns_number_gt                11355
_reflns_number_total             12832
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrystalClear-SM Auto 2.0 r15 (Rigaku, 2011)
;
_computing_data_collection       
;
CrystalClear-SM Auto 2.0 r15 (Rigaku, 2011)
;
_computing_data_reduction        
;
CrystalClear-SM Auto 2.0 r15 (Rigaku, 2011)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.552
_refine_diff_density_min         -0.583
_refine_diff_density_rms         0.108
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.199(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     692
_refine_ls_number_reflns         12832
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0308
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0200P)²+0.6000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0557
_refine_ls_wR_factor_ref         0.0577
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.801(6) 0.199(6)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Uiso/Uaniso restraints and constraints
Uanis(C13) = Uanis(C14) = Uanis(C15) = Uanis(C16) = Uanis(C17)
4.a Aromatic/amide H refined with riding coordinates:
 C13(H13), C14(H14), C31(H31), C17(H17), C15(H15), C32(H32), C16(H16),
 C34(H34), C30(H30), C33(H33)
4.b Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C9(H9A,H9B,H9C), C12(H12A,H12B,H12C), C11(H11A,H11B,
 H11C), C29(H29A,H29B,H29C), C26(H26A,H26B,H26C), C24(H24A,H24B,H24C), C7(H7A,
 H7B,H7C), C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C8(H8A,H8B,H8C), C10(H10A,
 H10B,H10C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
Ru2 Ru 0.66276(2) 0.12513(3) 0.57632(3) 0.01246(11) Uani 1 1 d . . . . .
Ru1 Ru 0.81491(2) 0.63871(3) 0.41479(3) 0.01321(11) Uani 1 1 d . . . . .
Br4 Br 0.98398(3) 0.44600(5) 0.34707(4) 0.02252(15) Uani 1 1 d . . . . .
Br5 Br 0.59446(3) -0.00567(5) 0.32690(4) 0.02502(16) Uani 1 1 d . . . . .
Br8 Br 0.49437(3) -0.04603(5) 0.67440(4) 0.02405(15) Uani 1 1 d . . . . .
Br1 Br 0.87047(3) 0.54250(5) 0.67995(4) 0.02494(16) Uani 1 1 d . . . . .
Br3 Br 1.03731(3) 0.34616(5) 0.50517(4) 0.02811(17) Uani 1 1 d . . . . .
Br2 Br 0.97819(3) 0.39512(5) 0.67369(4) 0.03305(18) Uani 1 1 d . . . . .
Br6 Br 0.48354(3) -0.14374(5) 0.35554(4) 0.03209(18) Uani 1 1 d . . . . .
Br7 Br 0.42718(3) -0.15298(5) 0.52987(5) 0.03404(19) Uani 1 1 d . . . . .
Co1 Co 0.79662(4) 0.90722(5) 0.36621(4) 0.01381(18) Uani 1 1 d . . . . .
Co2 Co 0.67448(4) 0.39645(6) 0.62138(5) 0.01493(19) Uani 1 1 d . . . . .
P3 P 0.73354(7) 0.81894(10) 0.41753(9) 0.0135(3) Uani 1 1 d . . . . .
P4 P 0.71052(7) 0.32690(10) 0.52270(9) 0.0147(3) Uani 1 1 d . . . . .
P2 P 0.81421(8) 0.79791(11) 0.28335(9) 0.0146(4) Uani 1 1 d . . . . .
P6 P 0.59764(8) 0.32298(11) 0.59805(9) 0.0155(4) Uani 1 1 d . . . . .
P5 P 0.70484(8) 0.28478(11) 0.69374(8) 0.0150(4) Uani 1 1 d . . . . .
P1 P 0.86034(7) 0.85037(11) 0.44064(9) 0.0150(4) Uani 1 1 d . . . . .
O1 O 0.83310(19) 0.5961(3) 0.5208(2) 0.0170(10) Uani 1 1 d . . . . .
O14 O 0.6355(2) 0.0769(3) 0.4760(2) 0.0167(10) Uani 1 1 d . . . . .
O9 O 0.75150(19) 0.7260(3) 0.4551(2) 0.0157(10) Uani 1 1 d . . . . .
O2 O 0.8825(2) 0.5639(3) 0.3855(2) 0.0170(10) Uani 1 1 d . . . . .
O13 O 0.60127(19) 0.0459(3) 0.6192(2) 0.0153(10) Uani 1 1 d . . . . .
O11 O 0.68915(19) 0.7960(3) 0.3519(2) 0.0207(10) Uani 1 1 d . . . . .
O6 O 0.80553(19) 0.6949(3) 0.3059(2) 0.0149(10) Uani 1 1 d . . . . .
O21 O 0.60172(19) 0.2230(3) 0.5643(2) 0.0158(10) Uani 1 1 d . . . . .
O18 O 0.68139(19) 0.1857(3) 0.6815(2) 0.0165(10) Uani 1 1 d . . . . .
O15 O 0.71746(19) 0.2197(3) 0.5256(2) 0.0161(10) Uani 1 1 d . . . . .
O3 O 0.86957(19) 0.7437(3) 0.4371(2) 0.0155(10) Uani 1 1 d . . . . .
O10 O 0.6988(2) 0.8730(3) 0.4821(2) 0.0177(10) Uani 1 1 d . . . . .
O17 O 0.7698(2) 0.3649(3) 0.4940(2) 0.0187(10) Uani 1 1 d . . . . .
O23 O 0.5614(2) 0.3197(3) 0.6749(3) 0.0224(10) Uani 1 1 d . . . . .
O24 O 0.7549(2) -0.0040(3) 0.6008(3) 0.0256(11) Uani 1 1 d . . . . .
O20 O 0.6987(2) 0.3035(3) 0.7839(2) 0.0184(10) Uani 1 1 d . . . . .
O4 O 0.8474(2) 0.8828(3) 0.5258(3) 0.0226(11) Uani 1 1 d . . . . .
O16 O 0.6719(2) 0.3554(3) 0.4517(2) 0.0200(10) Uani 1 1 d . . . . .
N2 N 0.7161(2) 0.0440(3) 0.5877(3) 0.0158(12) Uani 1 1 d . . . . .
O19 O 0.77140(19) 0.2849(3) 0.6870(2) 0.0202(10) Uani 1 1 d . . . . .
O12 O 0.7302(2) 0.5059(3) 0.3683(3) 0.0308(13) Uani 1 1 d . . . . .
O22 O 0.5569(2) 0.3778(3) 0.5416(2) 0.0232(11) Uani 1 1 d . . . . .
O5 O 0.9210(2) 0.8953(3) 0.4308(3) 0.0235(11) Uani 1 1 d . . . . .
C2 C 0.9053(3) 0.5237(4) 0.4478(3) 0.0153(14) Uani 1 1 d . . . . .
O7 O 0.8773(2) 0.8146(3) 0.2569(2) 0.0200(11) Uani 1 1 d . . . . .
N1 N 0.7668(3) 0.5542(3) 0.3913(3) 0.0204(13) Uani 1 1 d . . . . .
O8 O 0.7836(2) 0.8112(3) 0.2035(2) 0.0218(11) Uani 1 1 d . . . . .
C1 C 0.8797(3) 0.5435(4) 0.5201(4) 0.0171(14) Uani 1 1 d . . . . .
C18 C 0.5716(3) 0.0076(4) 0.5621(3) 0.0159(14) Uani 1 1 d . . . . .
C3 C 0.9518(3) 0.4653(4) 0.4452(3) 0.0166(14) Uani 1 1 d . . . . .
C6 C 0.9034(3) 0.5071(4) 0.5854(4) 0.0168(14) Uani 1 1 d . . . . .
C13 C 0.7453(3) 1.0253(4) 0.3745(4) 0.0212(7) Uani 1 1 d . . . . .
H13 H 0.7111 1.0283 0.3988 0.025 Uiso 1 1 calc R . . . .
C20 C 0.5651(3) -0.0265(4) 0.4271(3) 0.0184(14) Uani 1 1 d . . . . .
C5 C 0.9502(3) 0.4471(4) 0.5815(4) 0.0202(15) Uani 1 1 d . . . . .
C19 C 0.5921(3) 0.0204(4) 0.4865(3) 0.0160(14) Uani 1 1 d . . . . .
C4 C 0.9742(3) 0.4265(4) 0.5121(4) 0.0200(15) Uani 1 1 d . . . . .
C23 C 0.5227(3) -0.0434(4) 0.5734(4) 0.0169(14) Uani 1 1 d . . . . .
C14 C 0.7976(3) 1.0444(4) 0.4079(4) 0.0212(7) Uani 1 1 d . . . . .
H14 H 0.8036 1.0608 0.4582 0.025 Uiso 1 1 calc R . . . .
C25 C 0.8209(3) 0.3282(4) 0.5263(4) 0.0218(15) Uani 1 1 d . . . . .
H25A H 0.8520 0.3504 0.4975 0.033 Uiso 1 1 calc GR . . . .
H25B H 0.8201 0.2608 0.5251 0.033 Uiso 1 1 calc GR . . . .
H25C H 0.8243 0.3491 0.5777 0.033 Uiso 1 1 calc GR . . . .
C21 C 0.5175(3) -0.0796(5) 0.4389(4) 0.0212(15) Uani 1 1 d . . . . .
C31 C 0.6587(3) 0.4989(4) 0.7038(4) 0.0232(17) Uani 1 1 d . . . . .
H31 H 0.6436 0.4877 0.7514 0.028 Uiso 1 1 calc R . . . .
C22 C 0.4953(3) -0.0869(4) 0.5126(4) 0.0201(14) Uani 1 1 d . . . . .
C9 C 0.9061(3) 0.7410(4) 0.2154(4) 0.0279(17) Uani 1 1 d . . . . .
H9A H 0.8853 0.7254 0.1707 0.042 Uiso 1 1 calc GR . . . .
H9B H 0.9095 0.6863 0.2468 0.042 Uiso 1 1 calc GR . . . .
H9C H 0.9424 0.7627 0.2012 0.042 Uiso 1 1 calc GR . . . .
C17 C 0.7541(3) 1.0005(4) 0.2971(4) 0.0212(7) Uani 1 1 d . . . . .
H17 H 0.7270 0.9829 0.2624 0.025 Uiso 1 1 calc R . . . .
C15 C 0.8393(3) 1.0345(4) 0.3521(4) 0.0212(7) Uani 1 1 d . . . . .
H15 H 0.8772 1.0437 0.3589 0.025 Uiso 1 1 calc R . . . .
C12 C 0.6621(3) 0.8235(4) 0.5342(3) 0.0195(15) Uani 1 1 d . . . . .
H12A H 0.6251 0.8223 0.5139 0.029 Uiso 1 1 calc GR . . . .
H12B H 0.6619 0.8553 0.5821 0.029 Uiso 1 1 calc GR . . . .
H12C H 0.6751 0.7604 0.5410 0.029 Uiso 1 1 calc GR . . . .
C11 C 0.6436(3) 0.7296(5) 0.3598(4) 0.0297(17) Uani 1 1 d . . . . .
H11A H 0.6365 0.7001 0.3120 0.045 Uiso 1 1 calc GR . . . .
H11B H 0.6109 0.7622 0.3763 0.045 Uiso 1 1 calc GR . . . .
H11C H 0.6534 0.6826 0.3965 0.045 Uiso 1 1 calc GR . . . .
C32 C 0.7166(3) 0.4988(4) 0.6858(4) 0.0189(15) Uani 1 1 d . . . . .
H32 H 0.7457 0.4873 0.7191 0.023 Uiso 1 1 calc R . . . .
C16 C 0.8125(3) 1.0077(4) 0.2829(4) 0.0212(7) Uani 1 1 d . . . . .
H16 H 0.8300 0.9969 0.2369 0.025 Uiso 1 1 calc R . . . .
C34 C 0.6671(3) 0.5312(4) 0.5764(4) 0.0252(16) Uani 1 1 d . . . . .
H34 H 0.6586 0.5441 0.5262 0.030 Uiso 1 1 calc R . . . .
C29 C 0.5076(3) 0.2735(5) 0.6735(5) 0.0342(18) Uani 1 1 d . . . . .
H29A H 0.4862 0.2971 0.6318 0.051 Uiso 1 1 calc GR . . . .
H29B H 0.4883 0.2858 0.7199 0.051 Uiso 1 1 calc GR . . . .
H29C H 0.5127 0.2070 0.6677 0.051 Uiso 1 1 calc GR . . . .
C26 C 0.8046(3) 0.2048(4) 0.7098(4) 0.0243(16) Uani 1 1 d . . . . .
H26A H 0.8007 0.1555 0.6731 0.036 Uiso 1 1 calc GR . . . .
H26B H 0.7923 0.1828 0.7583 0.036 Uiso 1 1 calc GR . . . .
H26C H 0.8430 0.2230 0.7130 0.036 Uiso 1 1 calc GR . . . .
C24 C 0.6763(3) 0.3037(5) 0.3810(3) 0.0242(16) Uani 1 1 d . . . . .
H24A H 0.6546 0.3344 0.3428 0.036 Uiso 1 1 calc GR . . . .
H24B H 0.6628 0.2409 0.3882 0.036 Uiso 1 1 calc GR . . . .
H24C H 0.7145 0.3015 0.3654 0.036 Uiso 1 1 calc GR . . . .
C30 C 0.6282(3) 0.5192(4) 0.6371(4) 0.0244(17) Uani 1 1 d . . . . .
H30 H 0.5898 0.5238 0.6334 0.029 Uiso 1 1 calc R . . . .
C33 C 0.7212(3) 0.5196(4) 0.6078(4) 0.0243(17) Uani 1 1 d . . . . .
H33 H 0.7543 0.5249 0.5811 0.029 Uiso 1 1 calc R . . . .
C7 C 0.8858(3) 0.8573(5) 0.5865(4) 0.0355(19) Uani 1 1 d . . . . .
H7A H 0.9222 0.8805 0.5748 0.053 Uiso 1 1 calc GR . . . .
H7B H 0.8870 0.7901 0.5913 0.053 Uiso 1 1 calc GR . . . .
H7C H 0.8733 0.8843 0.6332 0.053 Uiso 1 1 calc GR . . . .
C27 C 0.6457(3) 0.2865(5) 0.8230(4) 0.0290(18) Uani 1 1 d . . . . .
H27A H 0.6208 0.2539 0.7897 0.044 Uiso 1 1 calc GR . . . .
H27B H 0.6295 0.3454 0.8375 0.044 Uiso 1 1 calc GR . . . .
H27C H 0.6522 0.2490 0.8673 0.044 Uiso 1 1 calc GR . . . .
C28 C 0.5418(4) 0.3498(5) 0.4665(4) 0.040(2) Uani 1 1 d . . . . .
H28A H 0.5518 0.3984 0.4314 0.060 Uiso 1 1 calc GR . . . .
H28B H 0.5024 0.3392 0.4642 0.060 Uiso 1 1 calc GR . . . .
H28C H 0.5610 0.2929 0.4535 0.060 Uiso 1 1 calc GR . . . .
C8 C 0.9645(3) 0.8554(5) 0.3833(4) 0.0335(19) Uani 1 1 d . . . . .
H8A H 0.9679 0.8917 0.3378 0.050 Uiso 1 1 calc GR . . . .
H8B H 0.9552 0.7917 0.3707 0.050 Uiso 1 1 calc GR . . . .
H8C H 0.9992 0.8565 0.4102 0.050 Uiso 1 1 calc GR . . . .
C10 C 0.7340(3) 0.7588(5) 0.1802(5) 0.0375(19) Uani 1 1 d . . . . .
H10A H 0.7276 0.7685 0.1272 0.056 Uiso 1 1 calc GR . . . .
H10B H 0.7025 0.7806 0.2085 0.056 Uiso 1 1 calc GR . . . .
H10C H 0.7396 0.6931 0.1897 0.056 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru2 O14 2.011(4) . ?
Ru2 O13 2.010(4) . ?
Ru2 O21 2.036(4) . ?
Ru2 O18 2.099(4) . ?
Ru2 O15 2.086(4) . ?
Ru2 N2 1.738(6) . ?
Ru1 O1 2.018(4) . ?
Ru1 O9 2.093(4) . ?
Ru1 O2 2.012(4) . ?
Ru1 O6 2.097(4) . ?
Ru1 O3 2.030(4) . ?
Ru1 N1 1.721(6) . ?
Br4 C3 1.919(6) . ?
Br5 C20 1.930(6) . ?
Br8 C23 1.911(7) . ?
Br1 C6 1.918(6) . ?
Br3 C4 1.907(6) . ?
Br2 C5 1.912(7) . ?
Br6 C21 1.917(6) . ?
Br7 C22 1.914(7) . ?
Co1 P3 2.1700(18) . ?
Co1 P2 2.1788(17) . ?
Co1 P1 2.1768(19) . ?
Co1 C13 2.091(6) . ?
Co1 C14 2.088(6) . ?
Co1 C17 2.075(6) . ?
Co1 C15 2.097(6) . ?
Co1 C16 2.088(6) . ?
Co2 P4 2.1854(18) . ?
Co2 P6 2.165(2) . ?
Co2 P5 2.1675(18) . ?
Co2 C31 2.097(6) . ?
Co2 C32 2.110(6) . ?
Co2 C34 2.084(6) . ?
Co2 C30 2.090(6) . ?
Co2 C33 2.097(6) . ?
P3 O9 1.542(4) . ?
P3 O11 1.611(5) . ?
P3 O10 1.610(4) . ?
P4 O15 1.536(4) . ?
P4 O17 1.608(5) . ?
P4 O16 1.614(5) . ?
P2 O6 1.534(4) . ?
P2 O7 1.606(5) . ?
P2 O8 1.602(4) . ?
P6 O21 1.546(4) . ?
P6 O23 1.615(5) . ?
P6 O22 1.602(5) . ?
P5 O18 1.535(4) . ?
P5 O20 1.622(4) . ?
P5 O19 1.607(5) . ?
P1 O3 1.537(4) . ?
P1 O4 1.605(5) . ?
P1 O5 1.603(5) . ?
O1 C1 1.348(8) . ?
O14 C19 1.332(8) . ?
O2 C2 1.357(7) . ?
O13 C18 1.350(7) . ?
O11 C11 1.454(8) . ?
O10 C12 1.457(7) . ?
O17 C25 1.454(8) . ?
O23 C29 1.454(8) . ?
O24 N2 1.180(7) . ?
O20 C27 1.470(8) . ?
O4 C7 1.461(8) . ?
O16 C24 1.453(7) . ?
O19 C26 1.451(7) . ?
O12 N1 1.188(7) . ?
O22 C28 1.434(8) . ?
O5 C8 1.458(8) . ?
C2 C1 1.447(9) . ?
C2 C3 1.393(9) . ?
O7 C9 1.455(7) . ?
O8 C10 1.467(8) . ?
C1 C6 1.389(9) . ?
C18 C19 1.436(9) . ?
C18 C23 1.398(9) . ?
C3 C4 1.412(9) . ?
C6 C5 1.415(9) . ?
C13 H13 0.9300 . ?
C13 C14 1.417(10) . ?
C13 C17 1.429(9) . ?
C20 C19 1.404(8) . ?
C20 C21 1.389(9) . ?
C5 C4 1.388(10) . ?
C23 C22 1.405(9) . ?
C14 H14 0.9300 . ?
C14 C15 1.414(10) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C21 C22 1.412(9) . ?
C31 H31 0.9300 . ?
C31 C32 1.429(10) . ?
C31 C30 1.418(10) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C17 H17 0.9300 . ?
C17 C16 1.431(10) . ?
C15 H15 0.9300 . ?
C15 C16 1.433(9) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C32 H32 0.9300 . ?
C32 C33 1.416(9) . ?
C16 H16 0.9300 . ?
C34 H34 0.9300 . ?
C34 C30 1.434(10) . ?
C34 C33 1.425(11) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C30 H30 0.9300 . ?
C33 H33 0.9300 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O14 Ru2 O21 84.63(17) . . ?
O14 Ru2 O18 172.41(18) . . ?
O14 Ru2 O15 92.73(17) . . ?
O13 Ru2 O14 84.28(17) . . ?
O13 Ru2 O21 83.81(17) . . ?
O13 Ru2 O18 93.10(16) . . ?
O13 Ru2 O15 171.70(17) . . ?
O21 Ru2 O18 88.01(16) . . ?
O21 Ru2 O15 88.21(16) . . ?
O15 Ru2 O18 88.89(16) . . ?
N2 Ru2 O14 96.6(2) . . ?
N2 Ru2 O13 97.3(2) . . ?
N2 Ru2 O21 178.4(2) . . ?
N2 Ru2 O18 90.8(2) . . ?
N2 Ru2 O15 90.7(2) . . ?
O1 Ru1 O9 91.19(16) . . ?
O1 Ru1 O6 172.18(18) . . ?
O1 Ru1 O3 84.29(17) . . ?
O9 Ru1 O6 90.42(16) . . ?
O2 Ru1 O1 84.49(17) . . ?
O2 Ru1 O9 172.45(18) . . ?
O2 Ru1 O6 93.05(16) . . ?
O2 Ru1 O3 85.17(17) . . ?
O3 Ru1 O9 88.25(17) . . ?
O3 Ru1 O6 88.10(16) . . ?
N1 Ru1 O1 99.2(2) . . ?
N1 Ru1 O9 90.4(2) . . ?
N1 Ru1 O2 96.4(2) . . ?
N1 Ru1 O6 88.5(2) . . ?
N1 Ru1 O3 176.3(2) . . ?
P3 Co1 P2 90.19(7) . . ?
P3 Co1 P1 91.43(7) . . ?
P1 Co1 P2 90.22(7) . . ?
C13 Co1 P3 91.32(19) . . ?
C13 Co1 P2 137.38(19) . . ?
C13 Co1 P1 132.29(19) . . ?
C13 Co1 C15 66.6(3) . . ?
C14 Co1 P3 113.7(2) . . ?
C14 Co1 P2 154.61(19) . . ?
C14 Co1 P1 97.3(2) . . ?
C14 Co1 C13 39.7(3) . . ?
C14 Co1 C15 39.5(3) . . ?
C17 Co1 P3 105.8(2) . . ?
C17 Co1 P2 99.04(18) . . ?
C17 Co1 P1 160.3(2) . . ?
C17 Co1 C13 40.1(2) . . ?
C17 Co1 C14 67.3(3) . . ?
C17 Co1 C15 67.5(3) . . ?
C17 Co1 C16 40.2(3) . . ?
C15 Co1 P3 153.21(19) . . ?
C15 Co1 P2 116.23(19) . . ?
C15 Co1 P1 92.8(2) . . ?
C16 Co1 P3 145.0(2) . . ?
C16 Co1 P2 88.86(19) . . ?
C16 Co1 P1 123.5(2) . . ?
C16 Co1 C13 66.8(3) . . ?
C16 Co1 C14 66.8(3) . . ?
C16 Co1 C15 40.0(3) . . ?
P6 Co2 P4 88.18(7) . . ?
P6 Co2 P5 92.64(7) . . ?
P5 Co2 P4 90.27(7) . . ?
C31 Co2 P4 160.4(2) . . ?
C31 Co2 P6 108.3(2) . . ?
C31 Co2 P5 99.3(2) . . ?
C31 Co2 C32 39.7(3) . . ?
C32 Co2 P4 123.60(19) . . ?
C32 Co2 P6 147.93(19) . . ?
C32 Co2 P5 91.50(18) . . ?
C34 Co2 P4 98.4(2) . . ?
C34 Co2 P6 107.4(2) . . ?
C34 Co2 P5 158.3(2) . . ?
C34 Co2 C31 67.0(3) . . ?
C34 Co2 C32 67.1(3) . . ?
C34 Co2 C30 40.2(3) . . ?
C34 Co2 C33 39.9(3) . . ?
C30 Co2 P4 134.1(2) . . ?
C30 Co2 P6 88.5(2) . . ?
C30 Co2 P5 135.6(2) . . ?
C30 Co2 C31 39.6(3) . . ?
C30 Co2 C32 66.8(3) . . ?
C30 Co2 C33 66.5(3) . . ?
C33 Co2 P4 94.27(19) . . ?
C33 Co2 P6 147.2(2) . . ?
C33 Co2 P5 120.0(2) . . ?
C33 Co2 C31 66.1(3) . . ?
C33 Co2 C32 39.3(2) . . ?
O9 P3 Co1 118.73(19) . . ?
O9 P3 O11 108.8(2) . . ?
O9 P3 O10 104.5(2) . . ?
O11 P3 Co1 106.30(18) . . ?
O11 P3 O10 105.2(3) . . ?
O10 P3 Co1 112.53(17) . . ?
O15 P4 Co2 117.80(18) . . ?
O15 P4 O17 104.4(2) . . ?
O15 P4 O16 109.8(2) . . ?
O17 P4 Co2 116.88(17) . . ?
O17 P4 O16 100.4(2) . . ?
O16 P4 Co2 106.18(18) . . ?
O6 P2 Co1 118.79(17) . . ?
O6 P2 O7 110.2(2) . . ?
O6 P2 O8 106.2(2) . . ?
O7 P2 Co1 105.89(17) . . ?
O8 P2 Co1 114.72(18) . . ?
O8 P2 O7 99.3(3) . . ?
O21 P6 Co2 117.7(2) . . ?
O21 P6 O23 109.4(2) . . ?
O21 P6 O22 104.3(2) . . ?
O23 P6 Co2 108.37(19) . . ?
O22 P6 Co2 113.9(2) . . ?
O22 P6 O23 102.0(3) . . ?
O18 P5 Co2 117.87(18) . . ?
O18 P5 O20 104.8(2) . . ?
O18 P5 O19 110.9(2) . . ?
O20 P5 Co2 115.35(18) . . ?
O19 P5 Co2 106.95(17) . . ?
O19 P5 O20 99.4(2) . . ?
O3 P1 Co1 116.40(19) . . ?
O3 P1 O4 110.6(2) . . ?
O3 P1 O5 105.0(3) . . ?
O4 P1 Co1 108.85(19) . . ?
O5 P1 Co1 115.33(18) . . ?
O5 P1 O4 99.4(2) . . ?
C1 O1 Ru1 109.8(4) . . ?
C19 O14 Ru2 109.8(4) . . ?
P3 O9 Ru1 124.6(2) . . ?
C2 O2 Ru1 110.0(4) . . ?
C18 O13 Ru2 109.6(4) . . ?
C11 O11 P3 124.2(4) . . ?
P2 O6 Ru1 126.1(2) . . ?
P6 O21 Ru2 129.5(3) . . ?
P5 O18 Ru2 125.5(2) . . ?
P4 O15 Ru2 126.0(3) . . ?
P1 O3 Ru1 130.0(3) . . ?
C12 O10 P3 122.2(4) . . ?
C25 O17 P4 120.4(4) . . ?
C29 O23 P6 118.6(4) . . ?
C27 O20 P5 120.9(4) . . ?
C7 O4 P1 119.6(5) . . ?
C24 O16 P4 120.0(4) . . ?
O24 N2 Ru2 172.5(5) . . ?
C26 O19 P5 121.9(4) . . ?
C28 O22 P6 126.6(4) . . ?
C8 O5 P1 124.2(4) . . ?
O2 C2 C1 117.4(6) . . ?
O2 C2 C3 123.4(6) . . ?
C3 C2 C1 119.2(6) . . ?
C9 O7 P2 119.4(4) . . ?
O12 N1 Ru1 170.2(5) . . ?
C10 O8 P2 124.2(4) . . ?
O1 C1 C2 118.2(5) . . ?
O1 C1 C6 122.8(5) . . ?
C6 C1 C2 119.0(6) . . ?
O13 C18 C19 117.5(6) . . ?
O13 C18 C23 123.2(6) . . ?
C23 C18 C19 119.3(6) . . ?
C2 C3 Br4 116.1(4) . . ?
C2 C3 C4 120.8(6) . . ?
C4 C3 Br4 123.1(5) . . ?
C1 C6 Br1 117.1(5) . . ?
C1 C6 C5 120.9(6) . . ?
C5 C6 Br1 122.0(5) . . ?
Co1 C13 H13 126.4 . . ?
C14 C13 Co1 70.1(4) . . ?
C14 C13 H13 125.8 . . ?
C14 C13 C17 108.4(7) . . ?
C17 C13 Co1 69.3(4) . . ?
C17 C13 H13 125.8 . . ?
C19 C20 Br5 116.4(5) . . ?
C21 C20 Br5 121.6(5) . . ?
C21 C20 C19 121.9(6) . . ?
C6 C5 Br2 118.2(5) . . ?
C4 C5 Br2 121.7(5) . . ?
C4 C5 C6 120.0(6) . . ?
O14 C19 C18 118.4(5) . . ?
O14 C19 C20 123.1(6) . . ?
C20 C19 C18 118.4(6) . . ?
C3 C4 Br3 119.0(5) . . ?
C5 C4 Br3 121.0(5) . . ?
C5 C4 C3 120.0(6) . . ?
C18 C23 Br8 116.4(5) . . ?
C18 C23 C22 121.0(6) . . ?
C22 C23 Br8 122.6(5) . . ?
Co1 C14 H14 125.0 . . ?
C13 C14 Co1 70.3(4) . . ?
C13 C14 H14 125.7 . . ?
C15 C14 Co1 70.6(4) . . ?
C15 C14 C13 108.6(6) . . ?
C15 C14 H14 125.7 . . ?
O17 C25 H25A 109.5 . . ?
O17 C25 H25B 109.5 . . ?
O17 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C20 C21 Br6 119.7(5) . . ?
C20 C21 C22 119.4(6) . . ?
C22 C21 Br6 120.8(5) . . ?
Co2 C31 H31 125.3 . . ?
C32 C31 Co2 70.6(4) . . ?
C32 C31 H31 125.7 . . ?
C30 C31 Co2 69.9(4) . . ?
C30 C31 H31 125.7 . . ?
C30 C31 C32 108.6(6) . . ?
C23 C22 Br7 119.8(5) . . ?
C23 C22 C21 119.7(6) . . ?
C21 C22 Br7 120.5(5) . . ?
O7 C9 H9A 109.5 . . ?
O7 C9 H9B 109.5 . . ?
O7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Co1 C17 H17 124.2 . . ?
C13 C17 Co1 70.6(4) . . ?
C13 C17 H17 126.4 . . ?
C13 C17 C16 107.2(6) . . ?
C16 C17 Co1 70.4(4) . . ?
C16 C17 H17 126.4 . . ?
Co1 C15 H15 125.9 . . ?
C14 C15 Co1 69.9(4) . . ?
C14 C15 H15 126.2 . . ?
C14 C15 C16 107.6(7) . . ?
C16 C15 Co1 69.6(4) . . ?
C16 C15 H15 126.2 . . ?
O10 C12 H12A 109.5 . . ?
O10 C12 H12B 109.5 . . ?
O10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O11 C11 H11A 109.5 . . ?
O11 C11 H11B 109.5 . . ?
O11 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Co2 C32 H32 125.6 . . ?
C31 C32 Co2 69.7(4) . . ?
C31 C32 H32 126.5 . . ?
C33 C32 Co2 69.8(4) . . ?
C33 C32 C31 107.0(6) . . ?
C33 C32 H32 126.5 . . ?
Co1 C16 H16 125.9 . . ?
C17 C16 Co1 69.4(4) . . ?
C17 C16 C15 108.2(6) . . ?
C17 C16 H16 125.9 . . ?
C15 C16 Co1 70.3(4) . . ?
C15 C16 H16 125.9 . . ?
Co2 C34 H34 124.4 . . ?
C30 C34 Co2 70.1(4) . . ?
C30 C34 H34 126.5 . . ?
C33 C34 Co2 70.5(4) . . ?
C33 C34 H34 126.5 . . ?
C33 C34 C30 106.9(7) . . ?
O23 C29 H29A 109.5 . . ?
O23 C29 H29B 109.5 . . ?
O23 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O19 C26 H26A 109.5 . . ?
O19 C26 H26B 109.5 . . ?
O19 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O16 C24 H24A 109.5 . . ?
O16 C24 H24B 109.5 . . ?
O16 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Co2 C30 H30 125.4 . . ?
C31 C30 Co2 70.5(4) . . ?
C31 C30 C34 108.0(7) . . ?
C31 C30 H30 126.0 . . ?
C34 C30 Co2 69.7(4) . . ?
C34 C30 H30 126.0 . . ?
Co2 C33 H33 125.8 . . ?
C32 C33 Co2 70.8(4) . . ?
C32 C33 C34 109.4(7) . . ?
C32 C33 H33 125.3 . . ?
C34 C33 Co2 69.6(4) . . ?
C34 C33 H33 125.3 . . ?
O4 C7 H7A 109.5 . . ?
O4 C7 H7B 109.5 . . ?
O4 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O20 C27 H27A 109.5 . . ?
O20 C27 H27B 109.5 . . ?
O20 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O22 C28 H28A 109.5 . . ?
O22 C28 H28B 109.5 . . ?
O22 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O5 C8 H8A 109.5 . . ?
O5 C8 H8B 109.5 . . ?
O5 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O8 C10 H10A 109.5 . . ?
O8 C10 H10B 109.5 . . ?
O8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?

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
Ru2 O14 C19 C18 2.7(7) . . . . ?
Ru2 O14 C19 C20 -177.9(5) . . . . ?
Ru2 O13 C18 C19 6.9(6) . . . . ?
Ru2 O13 C18 C23 -173.2(5) . . . . ?
Ru1 O1 C1 C2 -3.1(6) . . . . ?
Ru1 O1 C1 C6 177.7(5) . . . . ?
Ru1 O2 C2 C1 -2.1(7) . . . . ?
Ru1 O2 C2 C3 178.2(5) . . . . ?
Br4 C3 C4 Br3 -3.0(8) . . . . ?
Br4 C3 C4 C5 176.9(5) . . . . ?
Br5 C20 C19 O14 0.3(8) . . . . ?
Br5 C20 C19 C18 179.7(5) . . . . ?
Br5 C20 C21 Br6 5.8(8) . . . . ?
Br5 C20 C21 C22 -175.2(5) . . . . ?
Br8 C23 C22 Br7 -0.5(8) . . . . ?
Br8 C23 C22 C21 177.9(5) . . . . ?
Br1 C6 C5 Br2 3.5(7) . . . . ?
Br1 C6 C5 C4 -177.2(5) . . . . ?
Br2 C5 C4 Br3 -0.9(8) . . . . ?
Br2 C5 C4 C3 179.1(5) . . . . ?
Br6 C21 C22 Br7 -4.9(8) . . . . ?
Br6 C21 C22 C23 176.6(5) . . . . ?
Co1 P3 O9 Ru1 -36.4(3) . . . . ?
Co1 P3 O11 C11 172.3(5) . . . . ?
Co1 P3 O10 C12 -167.7(4) . . . . ?
Co1 P2 O6 Ru1 -31.0(4) . . . . ?
Co1 P2 O7 C9 165.7(4) . . . . ?
Co1 P2 O8 C10 -102.3(5) . . . . ?
Co1 P1 O3 Ru1 -31.4(4) . . . . ?
Co1 P1 O4 C7 -177.2(4) . . . . ?
Co1 P1 O5 C8 -94.8(5) . . . . ?
Co1 C13 C14 C15 60.5(4) . . . . ?
Co1 C13 C17 C16 -61.2(4) . . . . ?
Co1 C14 C15 C16 59.7(4) . . . . ?
Co1 C17 C16 C15 -59.9(4) . . . . ?
Co1 C15 C16 C17 59.3(4) . . . . ?
Co2 P4 O15 Ru2 36.6(4) . . . . ?
Co2 P4 O17 C25 86.7(4) . . . . ?
Co2 P4 O16 C24 -165.3(4) . . . . ?
Co2 P6 O21 Ru2 28.6(4) . . . . ?
Co2 P6 O23 C29 -180.0(4) . . . . ?
Co2 P6 O22 C28 113.0(6) . . . . ?
Co2 P5 O18 Ru2 38.3(4) . . . . ?
Co2 P5 O20 C27 81.5(5) . . . . ?
Co2 P5 O19 C26 -162.1(4) . . . . ?
Co2 C31 C32 C33 60.1(4) . . . . ?
Co2 C31 C30 C34 -59.8(4) . . . . ?
Co2 C32 C33 C34 59.1(4) . . . . ?
Co2 C34 C30 C31 60.3(4) . . . . ?
Co2 C34 C33 C32 -59.9(4) . . . . ?
O1 C1 C6 Br1 -4.8(8) . . . . ?
O1 C1 C6 C5 175.7(6) . . . . ?
O9 P3 O11 C11 43.4(6) . . . . ?
O9 P3 O10 C12 -37.5(5) . . . . ?
O2 C2 C1 O1 3.7(8) . . . . ?
O2 C2 C1 C6 -177.1(6) . . . . ?
O2 C2 C3 Br4 1.4(8) . . . . ?
O2 C2 C3 C4 179.1(6) . . . . ?
O13 C18 C19 O14 -6.8(8) . . . . ?
O13 C18 C19 C20 173.8(5) . . . . ?
O13 C18 C23 Br8 6.3(8) . . . . ?
O13 C18 C23 C22 -175.9(6) . . . . ?
O11 P3 O9 Ru1 85.3(3) . . . . ?
O11 P3 O10 C12 77.0(5) . . . . ?
O6 P2 O7 C9 36.0(5) . . . . ?
O6 P2 O8 C10 31.1(6) . . . . ?
O21 P6 O23 C29 -50.6(5) . . . . ?
O21 P6 O22 C28 -16.6(7) . . . . ?
O18 P5 O20 C27 -49.8(5) . . . . ?
O18 P5 O19 C26 -32.3(5) . . . . ?
O15 P4 O17 C25 -45.3(5) . . . . ?
O15 P4 O16 C24 -37.0(5) . . . . ?
O3 P1 O4 C7 53.8(5) . . . . ?
O3 P1 O5 C8 34.6(6) . . . . ?
O10 P3 O9 Ru1 -162.8(3) . . . . ?
O10 P3 O11 C11 -68.1(5) . . . . ?
O17 P4 O15 Ru2 168.1(3) . . . . ?
O17 P4 O16 C24 72.5(5) . . . . ?
O23 P6 O21 Ru2 -95.6(4) . . . . ?
O23 P6 O22 C28 -130.5(6) . . . . ?
O20 P5 O18 Ru2 168.1(3) . . . . ?
O20 P5 O19 C26 77.6(5) . . . . ?
O4 P1 O3 Ru1 93.4(3) . . . . ?
O4 P1 O5 C8 149.0(5) . . . . ?
O16 P4 O15 Ru2 -85.0(3) . . . . ?
O16 P4 O17 C25 -159.0(4) . . . . ?
O19 P5 O18 Ru2 -85.5(3) . . . . ?
O19 P5 O20 C27 -164.5(4) . . . . ?
O22 P6 O21 Ru2 155.9(3) . . . . ?
O22 P6 O23 C29 59.5(5) . . . . ?
O5 P1 O3 Ru1 -160.3(3) . . . . ?
O5 P1 O4 C7 -56.2(5) . . . . ?
C2 C1 C6 Br1 176.0(4) . . . . ?
C2 C1 C6 C5 -3.4(9) . . . . ?
C2 C3 C4 Br3 179.4(5) . . . . ?
C2 C3 C4 C5 -0.7(10) . . . . ?
O7 P2 O6 Ru1 91.4(3) . . . . ?
O7 P2 O8 C10 145.4(5) . . . . ?
O8 P2 O6 Ru1 -162.0(3) . . . . ?
O8 P2 O7 C9 -75.2(5) . . . . ?
C1 C2 C3 Br4 -178.4(4) . . . . ?
C1 C2 C3 C4 -0.6(9) . . . . ?
C1 C6 C5 Br2 -177.1(5) . . . . ?
C1 C6 C5 C4 2.2(10) . . . . ?
C18 C23 C22 Br7 -178.2(5) . . . . ?
C18 C23 C22 C21 0.3(9) . . . . ?
C3 C2 C1 O1 -176.6(5) . . . . ?
C3 C2 C1 C6 2.6(9) . . . . ?
C6 C5 C4 Br3 179.9(5) . . . . ?
C6 C5 C4 C3 -0.1(10) . . . . ?
C13 C14 C15 Co1 -60.3(4) . . . . ?
C13 C14 C15 C16 -0.6(7) . . . . ?
C13 C17 C16 Co1 61.3(4) . . . . ?
C13 C17 C16 C15 1.5(7) . . . . ?
C20 C21 C22 Br7 176.0(5) . . . . ?
C20 C21 C22 C23 -2.4(10) . . . . ?
C19 C18 C23 Br8 -173.8(4) . . . . ?
C19 C18 C23 C22 4.0(9) . . . . ?
C19 C20 C21 Br6 -178.9(5) . . . . ?
C19 C20 C21 C22 0.2(10) . . . . ?
C23 C18 C19 O14 173.3(5) . . . . ?
C23 C18 C19 C20 -6.1(9) . . . . ?
C14 C13 C17 Co1 59.4(4) . . . . ?
C14 C13 C17 C16 -1.9(7) . . . . ?
C14 C15 C16 Co1 -59.8(4) . . . . ?
C14 C15 C16 C17 -0.5(7) . . . . ?
C21 C20 C19 O14 -175.3(6) . . . . ?
C21 C20 C19 C18 4.1(9) . . . . ?
C31 C32 C33 Co2 -60.0(4) . . . . ?
C31 C32 C33 C34 -0.9(7) . . . . ?
C17 C13 C14 Co1 -58.9(4) . . . . ?
C17 C13 C14 C15 1.5(7) . . . . ?
C32 C31 C30 Co2 60.3(4) . . . . ?
C32 C31 C30 C34 0.4(7) . . . . ?
C30 C31 C32 Co2 -59.8(4) . . . . ?
C30 C31 C32 C33 0.3(7) . . . . ?
C30 C34 C33 Co2 61.0(4) . . . . ?
C30 C34 C33 C32 1.2(7) . . . . ?
C33 C34 C30 Co2 -61.3(4) . . . . ?
C33 C34 C30 C31 -1.0(7) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_exptl_crystal_mounting_method 'nylon loop'
_olex2_submission_special_instructions 'No special instructions were received'

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.801(6)
2 0.199(6)

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_LRuNOtBucat
_database_code_depnum_ccdc_archive 'CCDC 1522508'
_audit_update_record             
;
2016-12-13 deposited with the CCDC.
2016-12-22 downloaded from the CCDC.
;
_audit_creation_date             2016-08-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5217)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H43 Co N O12 P3 Ru'
_chemical_formula_sum            'C25 H43 Co N O12 P3 Ru'
_chemical_formula_weight         802.54
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   16.170(3)
_cell_length_b                   17.167(3)
_cell_length_c                   24.094(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6688(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    21393
_cell_measurement_temperature    98
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_shelx_estimated_absorpt_T_max   0.894
_shelx_estimated_absorpt_T_min   0.703
_exptl_absorpt_coefficient_mu    1.149
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.449
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             3296
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0661
_diffrn_reflns_av_unetI/netI     0.0436
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            42240
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         3.034
_diffrn_ambient_temperature      98
_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_details      
;
scan:
	Number of images: 246
	           Slice: -68.0000 - 55.0000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 70.0000
	             Phi: 0.0000
	             XTD: 35.0000
	          2theta: -35.0000
scan:
	Number of images: 214
	           Slice: -67.0000 - 40.0000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 70.0000
	             Phi: 180.0000
	             XTD: 35.0000
	          2theta: -35.0000
scan:
	Number of images: 120
	           Slice: -80.0000 - -20.0000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 0.0000
	             Phi: 0.0000
	             XTD: 35.0000
	          2theta: -35.0000
scan:
	Number of images: 64
	           Slice: -65.0000 - -33.0000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 70.0000
	             Phi: 90.0000
	             XTD: 35.0000
	          2theta: -35.0000
scan:
	Number of images: 62
	           Slice: -115.0000 - -84.0000
	     Image width: 0.5000
	        Exp time: 30.0000
	   Rotation axis: Omega
	           Omega: 0.0000
	           Kappa: 0.0000
	             Phi: 270.0000
	             XTD: 35.0000
	          2theta: -35.0000
;
_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 Fiber
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      0.041467
_diffrn_orient_matrix_UB_12      0.024510
_diffrn_orient_matrix_UB_13      -0.039102
_diffrn_orient_matrix_UB_21      0.006286
_diffrn_orient_matrix_UB_22      0.046181
_diffrn_orient_matrix_UB_23      0.035834
_diffrn_orient_matrix_UB_31      0.030289
_diffrn_orient_matrix_UB_32      -0.020059
_diffrn_orient_matrix_UB_33      0.020305
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_source                   'Sealed Tube'
_diffrn_source_current           40.0
_diffrn_source_power             2.0
_diffrn_source_voltage           50.0
_diffrn_special_details          
;
 ?
;
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5392
_reflns_number_total             6203
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrystalClear-SM Auto 2.0 r15 (Rigaku, 2011)
;
_computing_data_collection       
;
CrystalClear-SM Auto 2.0 r15 (Rigaku, 2011)
;
_computing_data_reduction        
;
CrystalClear-SM Auto 2.0 r15 (Rigaku, 2011)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.210
_refine_diff_density_min         -1.053
_refine_diff_density_rms         0.113
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         6203
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0432
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0700P)²+5.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1091
_refine_ls_wR_factor_ref         0.1138
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C21(H21), C23(H23), C5(H5), C25(H25), C22(H22), C24(H24)
2.b Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C20(H20A,H20B,H20C), C19(H19A,H19B,H19C), C17(H17A,H17B,
 H17C), C8(H8A,H8B,H8C), C15(H15A,H15B,H15C), C10(H10A,H10B,H10C), C9(H9A,H9B,
 H9C), C13(H13A,H13B,H13C), C16(H16A,H16B,H16C), C14(H14A,H14B,H14C), C12(H12A,
 H12B,H12C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Ru1 Ru 0.45855(2) 0.53908(2) 0.68939(2) 0.01145(10) Uani 1 1 d . . . . .
Co1 Co 0.36150(3) 0.33634(3) 0.64134(2) 0.01350(13) Uani 1 1 d . . . . .
P2 P 0.30250(5) 0.41471(5) 0.70008(3) 0.0138(2) Uani 1 1 d . . . . .
P3 P 0.48307(5) 0.35275(5) 0.67839(4) 0.01349(19) Uani 1 1 d . . . . .
P1 P 0.38066(5) 0.43720(5) 0.58867(3) 0.01432(19) Uani 1 1 d . . . . .
O2 O 0.41674(14) 0.63770(13) 0.65722(9) 0.0148(5) Uani 1 1 d . . . . .
O6 O 0.33946(13) 0.49596(14) 0.70679(9) 0.0150(5) Uani 1 1 d . . . . .
O3 O 0.44513(13) 0.49610(14) 0.61038(9) 0.0144(5) Uani 1 1 d . . . . .
O9 O 0.50233(14) 0.42783(13) 0.71007(9) 0.0143(5) Uani 1 1 d . . . . .
O1 O 0.56922(14) 0.57550(14) 0.66323(9) 0.0159(5) Uani 1 1 d . . . . .
O11 O 0.49978(14) 0.28244(14) 0.72039(9) 0.0177(5) Uani 1 1 d . . . . .
O10 O 0.55379(14) 0.34109(14) 0.63188(10) 0.0162(5) Uani 1 1 d . . . . .
O7 O 0.20726(14) 0.42388(15) 0.68257(9) 0.0187(5) Uani 1 1 d . . . . .
O4 O 0.29343(14) 0.47883(15) 0.57848(10) 0.0200(5) Uani 1 1 d . . . . .
O8 O 0.28946(15) 0.37734(15) 0.76098(9) 0.0198(5) Uani 1 1 d . . . . .
O5 O 0.40639(15) 0.41951(15) 0.52560(9) 0.0210(5) Uani 1 1 d . . . . .
O12 O 0.47488(18) 0.59164(17) 0.80358(10) 0.0278(6) Uani 1 1 d . . . . .
N1 N 0.46947(17) 0.57232(16) 0.75673(12) 0.0150(6) Uani 1 1 d . . . . .
C2 C 0.4811(2) 0.6781(2) 0.63275(13) 0.0148(7) Uani 1 1 d . . . . .
C3 C 0.4670(2) 0.7473(2) 0.60541(14) 0.0153(7) Uani 1 1 d . . . . .
H3 H 0.4126 0.7679 0.6033 0.018 Uiso 1 1 calc R . . . .
C21 C 0.3517(2) 0.2583(2) 0.57501(15) 0.0205(8) Uani 1 1 d . . . . .
H21 H 0.3739 0.2659 0.5389 0.025 Uiso 1 1 calc R . . . .
C1 C 0.5616(2) 0.6458(2) 0.63685(13) 0.0141(7) Uani 1 1 d . . . . .
C23 C 0.3375(2) 0.2222(2) 0.66699(15) 0.0200(7) Uani 1 1 d . . . . .
H23 H 0.3490 0.2021 0.7029 0.024 Uiso 1 1 calc R . . . .
C6 C 0.6305(2) 0.6856(2) 0.61379(14) 0.0150(7) Uani 1 1 d . . . . .
C5 C 0.6131(2) 0.7556(2) 0.58512(13) 0.0164(7) Uani 1 1 d . . . . .
H5 H 0.6578 0.7823 0.5680 0.020 Uiso 1 1 calc R . . . .
C25 C 0.2710(2) 0.2816(2) 0.59326(15) 0.0228(8) Uani 1 1 d . . . . .
H25 H 0.2305 0.3080 0.5717 0.027 Uiso 1 1 calc R . . . .
C22 C 0.3930(2) 0.2219(2) 0.62027(15) 0.0195(7) Uani 1 1 d . . . . .
H22 H 0.4474 0.2011 0.6198 0.023 Uiso 1 1 calc R . . . .
C24 C 0.2625(2) 0.2578(2) 0.64990(15) 0.0233(8) Uani 1 1 d . . . . .
H24 H 0.2147 0.2648 0.6723 0.028 Uiso 1 1 calc R . . . .
C4 C 0.5337(2) 0.7878(2) 0.58045(14) 0.0170(7) Uani 1 1 d . . . . .
C18 C 0.3534(2) 0.3820(3) 0.80326(14) 0.0291(9) Uani 1 1 d . . . . .
H18A H 0.3946 0.3411 0.7969 0.044 Uiso 1 1 calc GR . . . .
H18B H 0.3284 0.3750 0.8400 0.044 Uiso 1 1 calc GR . . . .
H18C H 0.3802 0.4331 0.8014 0.044 Uiso 1 1 calc GR . . . .
C11 C 0.7196(2) 0.6555(2) 0.62116(15) 0.0181(7) Uani 1 1 d . . . . .
C20 C 0.5801(2) 0.2798(2) 0.74838(16) 0.0257(8) Uani 1 1 d . . . . .
H20A H 0.6243 0.2776 0.7206 0.039 Uiso 1 1 calc GR . . . .
H20B H 0.5828 0.2335 0.7721 0.039 Uiso 1 1 calc GR . . . .
H20C H 0.5869 0.3266 0.7712 0.039 Uiso 1 1 calc GR . . . .
C19 C 0.6212(2) 0.3969(2) 0.62560(15) 0.0223(8) Uani 1 1 d . . . . .
H19A H 0.6511 0.3862 0.5910 0.033 Uiso 1 1 calc GR . . . .
H19B H 0.6593 0.3921 0.6571 0.033 Uiso 1 1 calc GR . . . .
H19C H 0.5986 0.4498 0.6245 0.033 Uiso 1 1 calc GR . . . .
C17 C 0.1593(2) 0.4878(2) 0.70552(16) 0.0258(8) Uani 1 1 d . . . . .
H17A H 0.1024 0.4848 0.6918 0.039 Uiso 1 1 calc GR . . . .
H17B H 0.1840 0.5374 0.6941 0.039 Uiso 1 1 calc GR . . . .
H17C H 0.1594 0.4843 0.7461 0.039 Uiso 1 1 calc GR . . . .
C8 C 0.4569(2) 0.8506(2) 0.50081(15) 0.0229(8) Uani 1 1 d . . . . .
H8A H 0.4829 0.8138 0.4750 0.034 Uiso 1 1 calc GR . . . .
H8B H 0.4460 0.8999 0.4816 0.034 Uiso 1 1 calc GR . . . .
H8C H 0.4047 0.8287 0.5143 0.034 Uiso 1 1 calc GR . . . .
C7 C 0.5157(2) 0.8655(2) 0.55070(14) 0.0184(7) Uani 1 1 d . . . . .
C15 C 0.4896(2) 0.3967(2) 0.50990(15) 0.0254(8) Uani 1 1 d . . . . .
H15A H 0.4929 0.3916 0.4694 0.038 Uiso 1 1 calc GR . . . .
H15B H 0.5032 0.3466 0.5272 0.038 Uiso 1 1 calc GR . . . .
H15C H 0.5289 0.4364 0.5224 0.038 Uiso 1 1 calc GR . . . .
C10 C 0.5951(2) 0.9045(2) 0.52874(15) 0.0241(8) Uani 1 1 d . . . . .
H10A H 0.6312 0.9179 0.5600 0.036 Uiso 1 1 calc GR . . . .
H10B H 0.5806 0.9520 0.5084 0.036 Uiso 1 1 calc GR . . . .
H10C H 0.6241 0.8685 0.5039 0.036 Uiso 1 1 calc GR . . . .
C9 C 0.4733(2) 0.9225(2) 0.59133(15) 0.0237(8) Uani 1 1 d . . . . .
H9A H 0.4200 0.9009 0.6031 0.036 Uiso 1 1 calc GR . . . .
H9B H 0.4644 0.9726 0.5728 0.036 Uiso 1 1 calc GR . . . .
H9C H 0.5087 0.9301 0.6239 0.036 Uiso 1 1 calc GR . . . .
C13 C 0.7302(2) 0.5755(2) 0.59321(18) 0.0301(9) Uani 1 1 d . . . . .
H13A H 0.6931 0.5377 0.6108 0.045 Uiso 1 1 calc GR . . . .
H13B H 0.7876 0.5581 0.5974 0.045 Uiso 1 1 calc GR . . . .
H13C H 0.7168 0.5798 0.5537 0.045 Uiso 1 1 calc GR . . . .
C16 C 0.2905(3) 0.5573(2) 0.55607(17) 0.0312(9) Uani 1 1 d . . . . .
H16A H 0.3051 0.5560 0.5166 0.047 Uiso 1 1 calc GR . . . .
H16B H 0.3298 0.5903 0.5761 0.047 Uiso 1 1 calc GR . . . .
H16C H 0.2345 0.5783 0.5604 0.047 Uiso 1 1 calc GR . . . .
C14 C 0.7385(2) 0.6495(3) 0.68421(15) 0.0295(9) Uani 1 1 d . . . . .
H14A H 0.7353 0.7014 0.7010 0.044 Uiso 1 1 calc GR . . . .
H14B H 0.7942 0.6282 0.6895 0.044 Uiso 1 1 calc GR . . . .
H14C H 0.6980 0.6151 0.7019 0.044 Uiso 1 1 calc GR . . . .
C12 C 0.7846(2) 0.7101(2) 0.59543(17) 0.0269(9) Uani 1 1 d . . . . .
H12A H 0.7762 0.7130 0.5552 0.040 Uiso 1 1 calc GR . . . .
H12B H 0.8401 0.6899 0.6032 0.040 Uiso 1 1 calc GR . . . .
H12C H 0.7790 0.7623 0.6116 0.040 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 O2 1.981(2) . ?
Ru1 O6 2.105(2) . ?
Ru1 O3 2.053(2) . ?
Ru1 O9 2.097(2) . ?
Ru1 O1 1.998(2) . ?
Ru1 N1 1.729(3) . ?
Co1 P2 2.1731(10) . ?
Co1 P3 2.1772(10) . ?
Co1 P1 2.1690(10) . ?
Co1 C21 2.091(3) . ?
Co1 C23 2.091(3) . ?
Co1 C25 2.090(3) . ?
Co1 C22 2.092(3) . ?
Co1 C24 2.103(4) . ?
P2 O6 1.526(2) . ?
P2 O7 1.604(2) . ?
P2 O8 1.615(2) . ?
P3 O9 1.530(2) . ?
P3 O11 1.598(2) . ?
P3 O10 1.614(2) . ?
P1 O3 1.544(2) . ?
P1 O4 1.600(2) . ?
P1 O5 1.605(2) . ?
O2 C2 1.384(4) . ?
O1 C1 1.369(4) . ?
O11 C20 1.464(4) . ?
O10 C19 1.459(4) . ?
O7 C17 1.453(4) . ?
O4 C16 1.451(4) . ?
O8 C18 1.453(4) . ?
O5 C15 1.451(4) . ?
O12 N1 1.180(4) . ?
C2 C3 1.377(5) . ?
C2 C1 1.418(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.417(5) . ?
C21 H21 0.9500 . ?
C21 C25 1.435(5) . ?
C21 C22 1.423(5) . ?
C1 C6 1.420(5) . ?
C23 H23 0.9500 . ?
C23 C22 1.440(5) . ?
C23 C24 1.419(5) . ?
C6 C5 1.414(5) . ?
C6 C11 1.540(5) . ?
C5 H5 0.9500 . ?
C5 C4 1.401(5) . ?
C25 H25 0.9500 . ?
C25 C24 1.431(5) . ?
C22 H22 0.9500 . ?
C24 H24 0.9500 . ?
C4 C7 1.542(5) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C11 C13 1.539(5) . ?
C11 C14 1.553(5) . ?
C11 C12 1.540(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C8 C7 1.554(5) . ?
C7 C10 1.542(5) . ?
C7 C9 1.545(5) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Ru1 O6 93.80(9) . . ?
O2 Ru1 O3 84.74(9) . . ?
O2 Ru1 O9 170.61(9) . . ?
O2 Ru1 O1 85.11(9) . . ?
O3 Ru1 O6 87.80(9) . . ?
O3 Ru1 O9 85.91(9) . . ?
O9 Ru1 O6 86.63(9) . . ?
O1 Ru1 O6 172.88(9) . . ?
O1 Ru1 O3 85.09(9) . . ?
O1 Ru1 O9 93.30(9) . . ?
N1 Ru1 O2 96.89(11) . . ?
N1 Ru1 O6 91.30(11) . . ?
N1 Ru1 O3 178.19(11) . . ?
N1 Ru1 O9 92.47(11) . . ?
N1 Ru1 O1 95.82(11) . . ?
P2 Co1 P3 92.82(4) . . ?
P1 Co1 P2 87.11(4) . . ?
P1 Co1 P3 90.44(4) . . ?
C21 Co1 P2 149.43(11) . . ?
C21 Co1 P3 117.67(11) . . ?
C21 Co1 P1 94.30(11) . . ?
C21 Co1 C23 67.15(14) . . ?
C21 Co1 C22 39.77(14) . . ?
C21 Co1 C24 66.86(14) . . ?
C23 Co1 P2 107.83(10) . . ?
C23 Co1 P3 99.66(10) . . ?
C23 Co1 P1 161.35(10) . . ?
C23 Co1 C22 40.26(14) . . ?
C23 Co1 C24 39.56(14) . . ?
C25 Co1 P2 109.38(11) . . ?
C25 Co1 P3 156.61(11) . . ?
C25 Co1 P1 97.73(11) . . ?
C25 Co1 C21 40.14(14) . . ?
C25 Co1 C23 67.20(14) . . ?
C25 Co1 C22 67.28(14) . . ?
C25 Co1 C24 39.91(14) . . ?
C22 Co1 P2 147.80(10) . . ?
C22 Co1 P3 90.07(10) . . ?
C22 Co1 P1 124.95(10) . . ?
C22 Co1 C24 66.88(14) . . ?
C24 Co1 P2 89.92(10) . . ?
C24 Co1 P3 136.90(11) . . ?
C24 Co1 P1 132.66(11) . . ?
O6 P2 Co1 117.58(9) . . ?
O6 P2 O7 108.30(14) . . ?
O6 P2 O8 108.53(13) . . ?
O7 P2 Co1 108.11(9) . . ?
O7 P2 O8 98.77(13) . . ?
O8 P2 Co1 113.76(10) . . ?
O9 P3 Co1 119.83(10) . . ?
O9 P3 O11 106.61(13) . . ?
O9 P3 O10 107.87(13) . . ?
O11 P3 Co1 108.33(9) . . ?
O11 P3 O10 103.07(13) . . ?
O10 P3 Co1 109.82(9) . . ?
O3 P1 Co1 114.90(10) . . ?
O3 P1 O4 110.79(14) . . ?
O3 P1 O5 105.65(13) . . ?
O4 P1 Co1 108.69(10) . . ?
O4 P1 O5 99.65(13) . . ?
O5 P1 Co1 116.11(10) . . ?
C2 O2 Ru1 109.8(2) . . ?
P2 O6 Ru1 131.19(13) . . ?
P1 O3 Ru1 128.39(13) . . ?
P3 O9 Ru1 125.45(13) . . ?
C1 O1 Ru1 109.99(19) . . ?
C20 O11 P3 117.7(2) . . ?
C19 O10 P3 121.3(2) . . ?
C17 O7 P2 119.1(2) . . ?
C16 O4 P1 120.0(2) . . ?
C18 O8 P2 121.5(2) . . ?
C15 O5 P1 122.6(2) . . ?
O12 N1 Ru1 176.6(3) . . ?
O2 C2 C1 117.6(3) . . ?
C3 C2 O2 120.8(3) . . ?
C3 C2 C1 121.6(3) . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 119.9(3) . . ?
C4 C3 H3 120.0 . . ?
Co1 C21 H21 125.7 . . ?
C25 C21 Co1 69.9(2) . . ?
C25 C21 H21 125.8 . . ?
C22 C21 Co1 70.13(19) . . ?
C22 C21 H21 125.8 . . ?
C22 C21 C25 108.3(3) . . ?
O1 C1 C2 117.4(3) . . ?
O1 C1 C6 122.4(3) . . ?
C2 C1 C6 120.2(3) . . ?
Co1 C23 H23 125.0 . . ?
C22 C23 Co1 69.90(19) . . ?
C22 C23 H23 126.1 . . ?
C24 C23 Co1 70.7(2) . . ?
C24 C23 H23 126.1 . . ?
C24 C23 C22 107.9(3) . . ?
C1 C6 C11 121.8(3) . . ?
C5 C6 C1 116.4(3) . . ?
C5 C6 C11 121.9(3) . . ?
C6 C5 H5 118.1 . . ?
C4 C5 C6 123.8(3) . . ?
C4 C5 H5 118.1 . . ?
Co1 C25 H25 124.8 . . ?
C21 C25 Co1 69.98(19) . . ?
C21 C25 H25 126.3 . . ?
C24 C25 Co1 70.52(19) . . ?
C24 C25 C21 107.5(3) . . ?
C24 C25 H25 126.3 . . ?
Co1 C22 H22 125.5 . . ?
C21 C22 Co1 70.1(2) . . ?
C21 C22 C23 107.8(3) . . ?
C21 C22 H22 126.1 . . ?
C23 C22 Co1 69.84(19) . . ?
C23 C22 H22 126.1 . . ?
Co1 C24 H24 126.5 . . ?
C23 C24 Co1 69.8(2) . . ?
C23 C24 C25 108.5(3) . . ?
C23 C24 H24 125.7 . . ?
C25 C24 Co1 69.6(2) . . ?
C25 C24 H24 125.7 . . ?
C3 C4 C7 118.5(3) . . ?
C5 C4 C3 118.0(3) . . ?
C5 C4 C7 123.5(3) . . ?
O8 C18 H18A 109.5 . . ?
O8 C18 H18B 109.5 . . ?
O8 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C6 C11 C14 108.6(3) . . ?
C6 C11 C12 112.8(3) . . ?
C13 C11 C6 110.7(3) . . ?
C13 C11 C14 110.3(3) . . ?
C13 C11 C12 106.9(3) . . ?
C12 C11 C14 107.4(3) . . ?
O11 C20 H20A 109.5 . . ?
O11 C20 H20B 109.5 . . ?
O11 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O10 C19 H19A 109.5 . . ?
O10 C19 H19B 109.5 . . ?
O10 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O7 C17 H17A 109.5 . . ?
O7 C17 H17B 109.5 . . ?
O7 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
C4 C7 C8 109.4(3) . . ?
C4 C7 C9 109.7(3) . . ?
C10 C7 C4 112.2(3) . . ?
C10 C7 C8 108.4(3) . . ?
C10 C7 C9 108.2(3) . . ?
C9 C7 C8 108.8(3) . . ?
O5 C15 H15A 109.5 . . ?
O5 C15 H15B 109.5 . . ?
O5 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O4 C16 H16A 109.5 . . ?
O4 C16 H16B 109.5 . . ?
O4 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?

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
Ru1 O2 C2 C3 177.3(2) . . . . ?
Ru1 O2 C2 C1 -2.6(3) . . . . ?
Ru1 O1 C1 C2 -0.3(3) . . . . ?
Ru1 O1 C1 C6 -179.9(2) . . . . ?
Co1 P2 O6 Ru1 -22.0(2) . . . . ?
Co1 P2 O7 C17 -164.0(2) . . . . ?
Co1 P2 O8 C18 87.7(3) . . . . ?
Co1 P3 O9 Ru1 -35.86(19) . . . . ?
Co1 P3 O11 C20 177.4(2) . . . . ?
Co1 P3 O10 C19 132.3(2) . . . . ?
Co1 P1 O3 Ru1 -45.09(19) . . . . ?
Co1 P1 O4 C16 165.3(2) . . . . ?
Co1 P1 O5 C15 -77.2(3) . . . . ?
Co1 C21 C25 C24 -60.9(2) . . . . ?
Co1 C21 C22 C23 59.9(2) . . . . ?
Co1 C23 C22 C21 -60.1(2) . . . . ?
Co1 C23 C24 C25 58.9(2) . . . . ?
Co1 C25 C24 C23 -59.1(2) . . . . ?
O2 C2 C3 C4 -179.8(3) . . . . ?
O2 C2 C1 O1 2.0(4) . . . . ?
O2 C2 C1 C6 -178.4(3) . . . . ?
O6 P2 O7 C17 -35.6(3) . . . . ?
O6 P2 O8 C18 -45.3(3) . . . . ?
O3 P1 O4 C16 38.1(3) . . . . ?
O3 P1 O5 C15 51.4(3) . . . . ?
O9 P3 O11 C20 -52.4(3) . . . . ?
O9 P3 O10 C19 0.1(3) . . . . ?
O1 C1 C6 C5 176.7(3) . . . . ?
O1 C1 C6 C11 -5.1(5) . . . . ?
O11 P3 O9 Ru1 -159.17(15) . . . . ?
O11 P3 O10 C19 -112.4(3) . . . . ?
O10 P3 O9 Ru1 90.69(17) . . . . ?
O10 P3 O11 C20 61.0(3) . . . . ?
O7 P2 O6 Ru1 -144.86(16) . . . . ?
O7 P2 O8 C18 -158.0(3) . . . . ?
O4 P1 O3 Ru1 78.55(19) . . . . ?
O4 P1 O5 C15 166.4(3) . . . . ?
O8 P2 O6 Ru1 108.87(18) . . . . ?
O8 P2 O7 C17 77.3(3) . . . . ?
O5 P1 O3 Ru1 -174.43(15) . . . . ?
O5 P1 O4 C16 -72.8(3) . . . . ?
C2 C3 C4 C5 -0.7(5) . . . . ?
C2 C3 C4 C7 -179.4(3) . . . . ?
C2 C1 C6 C5 -2.9(5) . . . . ?
C2 C1 C6 C11 175.3(3) . . . . ?
C3 C2 C1 O1 -177.9(3) . . . . ?
C3 C2 C1 C6 1.7(5) . . . . ?
C3 C4 C7 C8 -62.9(4) . . . . ?
C3 C4 C7 C10 176.7(3) . . . . ?
C3 C4 C7 C9 56.4(4) . . . . ?
C21 C25 C24 Co1 60.5(2) . . . . ?
C21 C25 C24 C23 1.5(4) . . . . ?
C1 C2 C3 C4 0.1(5) . . . . ?
C1 C6 C5 C4 2.4(5) . . . . ?
C1 C6 C11 C13 63.3(4) . . . . ?
C1 C6 C11 C14 -57.9(4) . . . . ?
C1 C6 C11 C12 -176.9(3) . . . . ?
C6 C5 C4 C3 -0.7(5) . . . . ?
C6 C5 C4 C7 178.0(3) . . . . ?
C5 C6 C11 C13 -118.5(4) . . . . ?
C5 C6 C11 C14 120.2(3) . . . . ?
C5 C6 C11 C12 1.2(5) . . . . ?
C5 C4 C7 C8 118.4(4) . . . . ?
C5 C4 C7 C10 -2.0(5) . . . . ?
C5 C4 C7 C9 -122.2(4) . . . . ?
C25 C21 C22 Co1 -59.7(2) . . . . ?
C25 C21 C22 C23 0.2(4) . . . . ?
C22 C21 C25 Co1 59.8(2) . . . . ?
C22 C21 C25 C24 -1.0(4) . . . . ?
C22 C23 C24 Co1 -60.3(2) . . . . ?
C22 C23 C24 C25 -1.3(4) . . . . ?
C24 C23 C22 Co1 60.7(2) . . . . ?
C24 C23 C22 C21 0.7(4) . . . . ?
C11 C6 C5 C4 -175.8(3) . . . . ?

_shelx_SHELXL_version_number     2014/7

_olex2_exptl_crystal_mounting_method 'nylon loop'
_olex2_submission_special_instructions 'No special instructions were received'
