# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_cisRuRuCo-15H2O
_database_code_depnum_ccdc_archive 'CCDC 1572958'
_audit_update_record             
;
2018-01-18 deposited with the CCDC.
2018-01-29 downloaded from the CCDC.
;
_audit_creation_date             2018-01-11
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.12.08 svn.r3473 for OlexSys, GUI svn.r5433)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C70 H116 Cl6 Co2 N26 P8 Ru4, C35 H58 N13 P4 Ru2, 30(O), Cl'
_chemical_formula_sum            'C105 H234 Cl7 Co2 N39 O30 P12 Ru6'
_chemical_formula_weight         3867.37
_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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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                   11.7090(9)
_cell_length_b                   16.0946(12)
_cell_length_c                   44.352(3)
_cell_angle_alpha                90
_cell_angle_beta                 91.6510(10)
_cell_angle_gamma                90
_cell_volume                     8354.8(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9883
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.84
_cell_measurement_theta_min      2.32
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.020
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7090
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.0675 before and 0.0563 after correction. The Ratio of minimum to maximum transmission is 0.9508. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.537
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       'rect. Prism'
_exptl_crystal_F_000             3988
_exptl_crystal_size_max          0.051
_exptl_crystal_size_mid          0.019
_exptl_crystal_size_min          0.015
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_unetI/netI     0.0559
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_limit_l_min       -54
_diffrn_reflns_number            45999
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.020
_diffrn_reflns_theta_min         1.564
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13516
_reflns_number_total             16422
_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       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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    'SIR2004 (Burla et al.,  2007)'
_refine_diff_density_max         1.136
_refine_diff_density_min         -0.608
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     949
_refine_ls_number_reflns         16422
_refine_ls_number_restraints     39
_refine_ls_R_factor_all          0.0768
_refine_ls_R_factor_gt           0.0599
_refine_ls_restrained_S_all      1.079
_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)+(0.0463P)²+49.4341P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1299
_refine_ls_wR_factor_ref         0.1420
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All H(H) groups, All C(H) groups, All C(H,H) groups
2. Shared sites
{CCN, NCN1}
{NCN, CCN1}
{CCNM, NCNM}
3. Uiso/Uaniso restraints and constraints
: with sigma of 0.1 and sigma for terminal atoms of 0.2
: with sigma of 0.1 and sigma for terminal atoms of 0.2
: with sigma of 0.1 and sigma for terminal atoms of 0.2
: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(O5) \\sim Ueq, Uanis(O2) \\sim Ueq, Uanis(O1) \\sim Ueq, Uanis(O6) \\sim
Ueq, Uanis(O4) \\sim Ueq, : with sigma of 0.1 and sigma for terminal atoms of
0.2
Uanis(CCN) = Uanis(NCN1)
Uanis(NCN) = Uanis(CCN1)
Uanis(CCNM) = Uanis(NCNM)
4. Others
 1*[Sof(O8)]+1*[Sof(O8A)]=1 with esd of 0.00001
 1*[Sof(O11)]+1*[Sof(O11C)]+1*[Sof(O11B)]+1*[Sof(O11A)]=1.5 with esd of 0.00001
 1*[Sof(O13B)]+1*[Sof(O13A)]=0.5 with esd of 0.00001
 1*[Sof(O12)]+1*[Sof(O13)]+1*[Sof(O12A)]=1 with esd of 0.00001
 1*[Sof(O9)]+1*[Sof(O9A)]=1 with esd of 0.00001
 1*[Sof(O14C)]+1*[Sof(O14D)]=0.5 with esd of 0.00001
 1*[Sof(O14E)]+1*[Sof(O14)]+1*[Sof(O14B)]=1 with esd of 0.00001
 1*[Sof(O15)]+1*[Sof(O15A)]=0.83 with esd of 0.00001
 1*[Sof(O10A)]+1*[Sof(O10)]=0.67 with esd of 0.00001
 Fixed Sof: NCN(0.5) CCN(0.5) CCNM(0.5) Cl4(0.5) CCN1(0.5) NCN1(0.5) NCNM(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C22(H22A,H22B), C20(H20A,H20B), C4(H4A,H4B), C1(H1A,H1B), C28(H28A,H28B),
 C27(H27A,H27B), C26(H26A,H26B), C19(H19A,H19B), C24(H24A,H24B), C29(H29A,H29B),
  C23(H23A,H23B), C21(H21A,H21B), C5(H5A,H5B), C36(H36A,H36B), C18(H18A,H18B),
 C25(H25A,H25B), C7(H7A,H7B), C2(H2A,H2B), C8(H8A,H8B), C9(H9A,H9B), C41(H41A,
 H41B), C3(H3A,H3B), C35(H35A,H35B), C44(H44A,H44B), C12(H12A,H12B), C6(H6A,
 H6B), C42(H42A,H42B), C11(H11A,H11B), C37(H37A,H37B), C40(H40A,H40B), C10(H10A,
 H10B), C38(H38A,H38B), C43(H43A,H43B), C39(H39A,H39B), C46(H46A,H46B),
 C45(H45A,H45B)
5.b Aromatic/amide H refined with riding coordinates:
 C32(H32), C49(H49), C30(H30), C15(H15), C50(H50), C13(H13), C34(H34),
 C17(H17), C14(H14), C31(H31), C51(H51), C33(H33), C16(H16), C47(H47), C48(H48)
;
_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 0.24102(4) 0.28228(2) 0.23267(2) 0.01498(10) Uani 1 1 d . . . . .
Ru2 Ru 0.31490(4) 0.07984(3) 0.32202(2) 0.01685(11) Uani 1 1 d . . . . .
Ru3 Ru 1.00072(4) 0.51125(3) 0.55831(2) 0.01839(11) Uani 1 1 d . . . . .
Co1 Co 0.49438(6) 0.46721(4) 0.33211(2) 0.01549(16) Uani 1 1 d . . . . .
Cl2 Cl 0.63418(11) 0.51559(8) 0.36623(3) 0.0196(3) Uani 1 1 d . . . . .
Cl3 Cl 0.30108(11) 0.47029(8) 0.34436(3) 0.0196(3) Uani 1 1 d . . . . .
Cl1 Cl 0.56477(11) 0.41819(8) 0.28704(3) 0.0201(3) Uani 1 1 d . . . . .
P4 P 0.12582(11) 0.18616(8) 0.21074(3) 0.0156(3) Uani 1 1 d . . . . .
P3 P 0.40185(11) 0.22765(8) 0.21411(3) 0.0153(3) Uani 1 1 d . . . . .
P2 P 0.14317(12) 0.12491(9) 0.33759(3) 0.0182(3) Uani 1 1 d . . . . .
P5 P 0.82772(12) 0.44961(9) 0.55641(3) 0.0206(3) Uani 1 1 d . . . . .
P6 P 1.10462(12) 0.39275(9) 0.55876(3) 0.0191(3) Uani 1 1 d . . . . .
P1 P 0.42075(12) 0.17551(8) 0.34737(3) 0.0171(3) Uani 1 1 d . . . . .
N7 N 0.5235(4) 0.0970(3) 0.18827(10) 0.0151(9) Uani 1 1 d . . . . .
N11 N 0.0483(4) 0.0226(3) 0.20775(10) 0.0169(9) Uani 1 1 d . . . . .
N1 N 0.5036(4) 0.3380(3) 0.35201(10) 0.0168(9) Uani 1 1 d . . . . .
N9 N 0.6289(4) 0.1862(3) 0.22527(10) 0.0183(9) Uani 1 1 d . . . . .
N10 N 0.0425(4) 0.1023(3) 0.15983(10) 0.0208(10) Uani 1 1 d . . . . .
NCN N 0.2862(4) 0.1617(3) 0.28799(11) 0.0188(10) Uani 0.5 1 d . . P A 1
N2 N 0.6380(4) 0.2247(3) 0.36618(11) 0.0235(10) Uani 1 1 d . . . . .
CCN C 0.2676(4) 0.2042(3) 0.26790(11) 0.0179(10) Uani 0.5 1 d . . P A 1
N12 N -0.0961(4) 0.1324(3) 0.19906(11) 0.0221(10) Uani 1 1 d . . . . .
N8 N 0.5785(4) 0.2413(3) 0.17456(10) 0.0202(10) Uani 1 1 d . . . . .
N3 N 0.4822(4) 0.2595(3) 0.39975(10) 0.0219(10) Uani 1 1 d . . . . .
N5 N -0.0099(4) 0.2506(3) 0.34995(13) 0.0344(13) Uani 1 1 d . . . . .
N6 N -0.0886(4) 0.1320(3) 0.32119(12) 0.0294(12) Uani 1 1 d . . . . .
CCNM C 1.0009(4) 0.5031(3) 0.51301(11) 0.0206(10) Uani 0.5 1 d . . P B 1
N14 N 0.5933(4) 0.4777(3) 0.55630(12) 0.0326(12) Uani 1 1 d . . . . .
N16 N 1.1933(4) 0.2525(3) 0.58769(12) 0.0282(11) Uani 1 1 d . . . . .
N15 N 0.6616(4) 0.3509(3) 0.58190(11) 0.0264(11) Uani 1 1 d . . . . .
N17 N 1.3255(4) 0.3297(3) 0.55595(13) 0.0340(13) Uani 1 1 d . . . . .
C22 C 0.6103(5) 0.1018(3) 0.21346(12) 0.0177(11) Uani 1 1 d . . . . .
H22A H 0.585637 0.065598 0.230115 0.021 Uiso 1 1 calc R . . . .
H22B H 0.683715 0.079880 0.206326 0.021 Uiso 1 1 calc R . . . .
N4 N -0.0408(4) 0.1171(3) 0.37521(11) 0.0289(11) Uani 1 1 d . . . . .
C20 C 0.4094(4) 0.1208(3) 0.19950(12) 0.0160(10) Uani 1 1 d . . . . .
H20A H 0.388755 0.081863 0.215740 0.019 Uiso 1 1 calc R . . . .
H20B H 0.351964 0.114481 0.182847 0.019 Uiso 1 1 calc R . . . .
C4 C 0.6222(4) 0.3051(3) 0.35106(13) 0.0201(11) Uani 1 1 d . . . . .
H4A H 0.643470 0.299280 0.329724 0.024 Uiso 1 1 calc R . . . .
H4B H 0.674864 0.346003 0.360663 0.024 Uiso 1 1 calc R . . . .
C1 C 0.4249(4) 0.2832(3) 0.33379(12) 0.0162(10) Uani 1 1 d . . . . .
H1A H 0.449203 0.283173 0.312599 0.019 Uiso 1 1 calc R . . . .
H1B H 0.346753 0.306628 0.334089 0.019 Uiso 1 1 calc R . . . .
C28 C -0.0690(5) 0.0516(3) 0.21257(13) 0.0217(12) Uani 1 1 d . . . . .
H28A H -0.123106 0.009847 0.204112 0.026 Uiso 1 1 calc R . . . .
H28B H -0.080981 0.054928 0.234538 0.026 Uiso 1 1 calc R . . . .
C27 C -0.0739(5) 0.1280(4) 0.16677(13) 0.0236(12) Uani 1 1 d . . . . .
H27A H -0.088761 0.183227 0.157672 0.028 Uiso 1 1 calc R . . . .
H27B H -0.128451 0.088233 0.157210 0.028 Uiso 1 1 calc R . . . .
N13 N 0.6588(4) 0.3578(4) 0.52652(12) 0.0355(13) Uani 1 1 d . . . . .
C26 C -0.0306(4) 0.1999(3) 0.21384(13) 0.0194(11) Uani 1 1 d . . . . .
H26A H -0.049682 0.202161 0.235420 0.023 Uiso 1 1 calc R . . . .
H26B H -0.053270 0.253573 0.204523 0.023 Uiso 1 1 calc R . . . .
C19 C 0.4694(5) 0.2807(3) 0.18267(12) 0.0192(11) Uani 1 1 d . . . . .
H19A H 0.416373 0.280058 0.164869 0.023 Uiso 1 1 calc R . . . .
H19B H 0.483739 0.339370 0.188248 0.023 Uiso 1 1 calc R . . . .
C24 C 0.1244(5) 0.1680(3) 0.16960(12) 0.0191(11) Uani 1 1 d . . . . .
H24A H 0.104032 0.220470 0.159082 0.023 Uiso 1 1 calc R . . . .
H24B H 0.202060 0.151972 0.163562 0.023 Uiso 1 1 calc R . . . .
C29 C 0.0676(5) 0.0231(3) 0.17484(12) 0.0208(12) Uani 1 1 d . . . . .
H29A H 0.148354 0.008453 0.171512 0.025 Uiso 1 1 calc R . . . .
H29B H 0.019408 -0.020608 0.165238 0.025 Uiso 1 1 calc R . . . .
C23 C 0.6620(4) 0.2402(3) 0.20024(13) 0.0205(12) Uani 1 1 d . . . . .
H23A H 0.736723 0.221332 0.192917 0.025 Uiso 1 1 calc R . . . .
H23B H 0.671799 0.297553 0.207918 0.025 Uiso 1 1 calc R . . . .
C21 C 0.5589(5) 0.1551(3) 0.16430(12) 0.0182(11) Uani 1 1 d . . . . .
H21A H 0.630042 0.133938 0.155544 0.022 Uiso 1 1 calc R . . . .
H21B H 0.499116 0.155536 0.148051 0.022 Uiso 1 1 calc R . . . .
C5 C 0.4690(5) 0.3401(3) 0.38400(12) 0.0208(12) Uani 1 1 d . . . . .
H5A H 0.515464 0.382397 0.394956 0.025 Uiso 1 1 calc R . . . .
H5B H 0.388000 0.357617 0.384666 0.025 Uiso 1 1 calc R . . . .
C36 C 0.7817(5) 0.3786(4) 0.58636(14) 0.0264(13) Uani 1 1 d . . . . .
H36A H 0.832339 0.329303 0.586878 0.032 Uiso 1 1 calc R . . . .
H36B H 0.790126 0.407043 0.606088 0.032 Uiso 1 1 calc R . . . .
C18 C 0.5271(4) 0.2198(3) 0.23998(12) 0.0195(11) Uani 1 1 d . . . . .
H18A H 0.545246 0.275585 0.248181 0.023 Uiso 1 1 calc R . . . .
H18B H 0.507959 0.183389 0.257109 0.023 Uiso 1 1 calc R . . . .
N18 N 1.1732(6) 0.2447(3) 0.53246(13) 0.0421(15) Uani 1 1 d . . . . .
C25 C 0.1323(5) 0.0773(3) 0.22363(12) 0.0194(11) Uani 1 1 d . . . . .
H25A H 0.210108 0.055448 0.220543 0.023 Uiso 1 1 calc R . . . .
H25B H 0.118334 0.075595 0.245536 0.023 Uiso 1 1 calc R . . . .
C32 C 0.2424(5) 0.4059(3) 0.20995(13) 0.0244(13) Uani 1 1 d . . . . .
H32 H 0.268064 0.413727 0.190022 0.029 Uiso 1 1 calc R . . . .
C7 C 0.1111(5) 0.2365(4) 0.34301(15) 0.0297(14) Uani 1 1 d . . . . .
H7A H 0.160170 0.258507 0.359716 0.036 Uiso 1 1 calc R . . . .
H7B H 0.129452 0.267336 0.324457 0.036 Uiso 1 1 calc R . . . .
C2 C 0.4013(5) 0.1968(3) 0.38760(12) 0.0219(12) Uani 1 1 d . . . . .
H2A H 0.322303 0.216545 0.390454 0.026 Uiso 1 1 calc R . . . .
H2B H 0.411532 0.144530 0.399124 0.026 Uiso 1 1 calc R . . . .
C49 C 0.9456(6) 0.6367(4) 0.57396(14) 0.0306(14) Uani 1 1 d . . . . .
H49 H 0.874571 0.661047 0.567966 0.037 Uiso 1 1 calc R . . . .
C8 C 0.0231(5) 0.1024(4) 0.31073(13) 0.0272(13) Uani 1 1 d . . . . .
H8A H 0.038769 0.129052 0.291149 0.033 Uiso 1 1 calc R . . . .
H8B H 0.018912 0.041696 0.307354 0.033 Uiso 1 1 calc R . . . .
C9 C 0.0769(5) 0.0848(4) 0.37178(13) 0.0249(13) Uani 1 1 d . . . . .
H9A H 0.074481 0.023396 0.370862 0.030 Uiso 1 1 calc R . . . .
H9B H 0.124366 0.100838 0.389666 0.030 Uiso 1 1 calc R . . . .
C30 C 0.2398(5) 0.3954(3) 0.26147(14) 0.0266(13) Uani 1 1 d . . . . .
H30 H 0.263403 0.395083 0.282137 0.032 Uiso 1 1 calc R . . . .
C15 C 0.4560(5) -0.0066(4) 0.31156(15) 0.0292(14) Uani 1 1 d . . . . .
H15 H 0.530359 0.011877 0.306782 0.035 Uiso 1 1 calc R . . . .
C41 C 1.2598(5) 0.4090(4) 0.55583(15) 0.0283(13) Uani 1 1 d . . . . .
H41A H 1.274512 0.439510 0.536967 0.034 Uiso 1 1 calc R . . . .
H41B H 1.287305 0.443812 0.572942 0.034 Uiso 1 1 calc R . . . .
C3 C 0.5765(5) 0.1574(3) 0.34960(13) 0.0226(12) Uani 1 1 d . . . . .
H3A H 0.591869 0.103767 0.359877 0.027 Uiso 1 1 calc R . . . .
H3B H 0.605802 0.153470 0.328937 0.027 Uiso 1 1 calc R . . . .
C50 C 0.9663(6) 0.5845(4) 0.59956(14) 0.0297(14) Uani 1 1 d . . . . .
H50 H 0.911463 0.568066 0.613783 0.036 Uiso 1 1 calc R . . . .
C13 C 0.3013(6) -0.0499(3) 0.33752(16) 0.0337(15) Uani 1 1 d . . . . .
H13 H 0.253348 -0.065451 0.353480 0.040 Uiso 1 1 calc R . . . .
C34 C 0.1263(5) 0.3797(4) 0.25018(15) 0.0308(14) Uani 1 1 d . . . . .
H34 H 0.061392 0.367190 0.261706 0.037 Uiso 1 1 calc R . . . .
C17 C 0.2691(6) -0.0482(4) 0.30671(16) 0.0352(16) Uani 1 1 d . . . . .
H17 H 0.196301 -0.062604 0.298254 0.042 Uiso 1 1 calc R . . . .
C35 C 0.7051(5) 0.5206(4) 0.55739(15) 0.0316(14) Uani 1 1 d . . . . .
H35A H 0.711077 0.554168 0.576070 0.038 Uiso 1 1 calc R . . . .
H35B H 0.708517 0.559195 0.540056 0.038 Uiso 1 1 calc R . . . .
C14 C 0.4164(5) -0.0246(3) 0.34086(14) 0.0271(13) Uani 1 1 d . . . . .
H14 H 0.459492 -0.020402 0.359283 0.033 Uiso 1 1 calc R . . . .
C44 C 1.3087(5) 0.2850(4) 0.58387(15) 0.0309(14) Uani 1 1 d . . . . .
H44A H 1.327719 0.322511 0.600964 0.037 Uiso 1 1 calc R . . . .
H44B H 1.363157 0.237913 0.584912 0.037 Uiso 1 1 calc R . . . .
C31 C 0.3102(5) 0.4112(3) 0.23735(13) 0.0230(12) Uani 1 1 d . . . . .
H31 H 0.389562 0.423424 0.238798 0.028 Uiso 1 1 calc R . . . .
C12 C -0.0398(5) 0.2084(4) 0.37771(15) 0.0340(15) Uani 1 1 d . . . . .
H12A H -0.116345 0.227345 0.383652 0.041 Uiso 1 1 calc R . . . .
H12B H 0.015583 0.224682 0.393935 0.041 Uiso 1 1 calc R . . . .
C51 C 1.0822(5) 0.5617(4) 0.59996(14) 0.0300(14) Uani 1 1 d . . . . .
H51 H 1.118583 0.526388 0.614463 0.036 Uiso 1 1 calc R . . . .
C6 C 0.6014(5) 0.2319(4) 0.39721(13) 0.0255(13) Uani 1 1 d . . . . .
H6A H 0.652048 0.271863 0.408057 0.031 Uiso 1 1 calc R . . . .
H6B H 0.610457 0.177257 0.407241 0.031 Uiso 1 1 calc R . . . .
C33 C 0.1298(5) 0.3867(3) 0.21840(15) 0.0291(14) Uani 1 1 d . . . . .
H33 H 0.066314 0.379507 0.204824 0.035 Uiso 1 1 calc R . . . .
C16 C 0.3640(6) -0.0214(4) 0.29078(15) 0.0313(14) Uani 1 1 d . . . . .
H16 H 0.366218 -0.014313 0.269545 0.038 Uiso 1 1 calc R . . . .
C47 C 1.1363(6) 0.5998(4) 0.57520(14) 0.0313(14) Uani 1 1 d . . . . .
H47 H 1.214470 0.595693 0.570231 0.038 Uiso 1 1 calc R . . . .
C42 C 1.1107(5) 0.3218(4) 0.59127(14) 0.0311(14) Uani 1 1 d . . . . .
H42A H 1.132474 0.353755 0.609623 0.037 Uiso 1 1 calc R . . . .
H42B H 1.033692 0.298268 0.594190 0.037 Uiso 1 1 calc R . . . .
C11 C -0.1158(5) 0.0930(4) 0.34977(14) 0.0277(13) Uani 1 1 d . . . . .
H11A H -0.111858 0.031958 0.347311 0.033 Uiso 1 1 calc R . . . .
H11B H -0.195373 0.107354 0.354615 0.033 Uiso 1 1 calc R . . . .
C37 C 0.7786(5) 0.3867(4) 0.52370(13) 0.0314(14) Uani 1 1 d . . . . .
H37A H 0.784354 0.420231 0.505102 0.038 Uiso 1 1 calc R . . . .
H37B H 0.829250 0.337835 0.521811 0.038 Uiso 1 1 calc R . . . .
C40 C 0.5834(5) 0.4211(4) 0.58236(14) 0.0317(14) Uani 1 1 d . . . . .
H40A H 0.598005 0.453028 0.601145 0.06(2) Uiso 1 1 calc R . . . .
H40B H 0.504136 0.399792 0.582767 0.068 Uiso 1 1 calc R . . . .
C10 C -0.0862(5) 0.2231(4) 0.32544(16) 0.0341(15) Uani 1 1 d . . . . .
H10A H -0.062249 0.249489 0.306472 0.041 Uiso 1 1 calc R . . . .
H10B H -0.164511 0.242544 0.329446 0.041 Uiso 1 1 calc R . . . .
C38 C 0.6457(6) 0.3065(4) 0.55338(15) 0.0352(15) Uani 1 1 d . . . . .
H38A H 0.568377 0.281684 0.552651 0.042 Uiso 1 1 calc R . . . .
H38B H 0.701672 0.260478 0.552851 0.042 Uiso 1 1 calc R . . . .
C43 C 1.0882(6) 0.3131(4) 0.52894(15) 0.0383(17) Uani 1 1 d . . . . .
H43A H 1.010221 0.289433 0.529467 0.046 Uiso 1 1 calc R . . . .
H43B H 1.096892 0.339738 0.509019 0.046 Uiso 1 1 calc R . . . .
C48 C 1.0489(6) 0.6455(4) 0.55935(15) 0.0359(16) Uani 1 1 d . . . . .
H48 H 1.059513 0.677037 0.541556 0.043 Uiso 1 1 calc R . . . .
C39 C 0.5804(6) 0.4295(5) 0.52844(15) 0.0396(17) Uani 1 1 d . . . . .
H39A H 0.593199 0.466803 0.511110 0.047 Uiso 1 1 calc R . . . .
H39B H 0.500740 0.409012 0.526613 0.047 Uiso 1 1 calc R . . . .
C46 C 1.1609(6) 0.2017(4) 0.56141(17) 0.0412(17) Uani 1 1 d . . . . .
H46A H 1.080323 0.184086 0.563174 0.049 Uiso 1 1 calc R . . . .
H46B H 1.208721 0.151002 0.561510 0.049 Uiso 1 1 calc R . . . .
C45 C 1.2899(6) 0.2775(5) 0.53087(16) 0.0443(18) Uani 1 1 d . . . . .
H45A H 1.343504 0.230181 0.529698 0.053 Uiso 1 1 calc R . . . .
H45B H 1.295787 0.309951 0.512004 0.053 Uiso 1 1 calc R . . . .
O5 O 0.7051(4) 0.1202(3) 0.28381(10) 0.0399(11) Uani 1 1 d . U . . .
O2 O 0.6351(4) 0.2078(3) 0.61608(10) 0.0395(11) Uani 1 1 d . U . . .
O1 O 0.4000(4) 0.5901(3) 0.54690(11) 0.0463(12) Uani 1 1 d . U . . .
O6 O 0.8419(4) 0.3703(3) 0.26720(12) 0.0445(12) Uani 1 1 d . U . . .
Cl4 Cl 0.8646(5) 0.1756(4) 0.60408(15) 0.0925(18) Uani 0.5 1 d . . P . .
O9 O 0.3728(10) 0.2739(6) 0.4565(2) 0.046(3) Uiso 0.562(3) 1 d . U P C 2
O4 O 0.3386(6) 0.0102(4) 0.60347(18) 0.082(2) Uani 1 1 d . U . . .
O11 O 0.8645(7) 0.1499(5) 0.53734(17) 0.060(2) Uiso 0.747(3) 1 d . U P D 1
O15 O 0.5015(11) 0.1038(8) 0.5786(3) 0.079(4) Uiso 0.638(3) 1 d . U P E 1
O8 O 0.8370(12) 0.0650(9) 0.4265(3) 0.071(4) Uiso 0.542(3) 1 d . U P F 1
O14E O 0.5991(11) 0.2413(8) 0.4827(3) 0.090(4) Uiso 0.597(3) 1 d . U P G 2
O14C O 0.4580(16) 0.0427(11) 0.4959(4) 0.063(5) Uiso 0.335(3) 1 d . U P H -1
O12 O 0.1824(16) 0.1899(12) 0.4682(4) 0.086(5) Uiso 0.401(3) 1 d . U P I 2
CCN1 C 0.2862(4) 0.1617(3) 0.28799(11) 0.0188(10) Uani 0.5 1 d . . P A 2
NCN1 N 0.2676(4) 0.2042(3) 0.26790(11) 0.0179(10) Uani 0.5 1 d . . P A 2
NCNM N 1.0009(4) 0.5031(3) 0.51301(11) 0.0206(10) Uani 0.5 1 d . . P B 2
O13 O 0.2117(14) 0.1657(10) 0.4421(4) 0.050(4) Uiso 0.334(3) 1 d . U P J 3
O11A O 0.8459(16) 0.0816(12) 0.5361(4) 0.059(5) Uiso 0.315(3) 1 d . U P K 2
O10A O 0.7980(19) 0.1832(14) 0.4705(5) 0.087(6) Uiso 0.344(3) 1 d . U P L 1
O13B O 0.287(2) 0.0102(15) 0.4329(5) 0.086(6) Uiso 0.337(3) 1 d . U P M 1
O14B O 0.562(2) 0.0709(16) 0.4664(6) 0.044(6) Uiso 0.189(3) 1 d . U P N 1
O11C O 1.022(2) 0.0056(18) 0.5248(6) 0.041(7) Uiso 0.168(3) 1 d . U P O 1
O11B O 0.918(2) 0.0641(17) 0.5566(6) 0.081(8) Uiso 0.270(3) 1 d . U P P 3
O13A O 0.244(3) 0.058(2) 0.4400(7) 0.048(8) Uiso 0.163(3) 1 d . U P Q 2
O9A O 0.4215(13) 0.2692(8) 0.4608(3) 0.050(4) Uiso 0.438(3) 1 d . U P R 1
O14D O 0.334(4) 0.001(3) 0.5139(9) 0.074(11) Uiso 0.165(3) 1 d . U P H 1
O14 O 0.639(2) 0.1234(15) 0.4988(5) 0.046(6) Uiso 0.215(3) 1 d . U P S 2
O12A O 0.0515(18) 0.1536(13) 0.4844(5) 0.052(5) Uiso 0.264(3) 1 d . U P T 1
O15A O 0.539(3) 0.0777(19) 0.5813(7) 0.043(7) Uiso 0.192(3) 1 d . . P U 2
O10 O 0.8745(14) 0.1656(10) 0.4906(4) 0.048(4) Uiso 0.326(3) 1 d . . P V 2
O7 O -0.0076(5) 0.3764(3) 0.15362(12) 0.0546(14) Uani 1 1 d . . . . .
O8A O 0.8777(15) 0.0310(11) 0.4262(4) 0.079(5) Uiso 0.458(3) 1 d . . P W 2
O3 O 0.2206(5) 0.3668(3) 0.13550(12) 0.0536(14) 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 P4 2.2546(14) . ?
Ru1 P3 2.2552(14) . ?
Ru1 CCN 2.022(5) . ?
Ru1 C32 2.230(5) . ?
Ru1 C30 2.224(5) . ?
Ru1 C34 2.220(6) . ?
Ru1 C31 2.235(5) . ?
Ru1 C33 2.207(6) . ?
Ru1 NCN1 2.022(5) . ?
Ru2 P2 2.2641(14) . ?
Ru2 P1 2.2562(15) . ?
Ru2 NCN 2.024(5) . ?
Ru2 C15 2.219(6) . ?
Ru2 C13 2.205(6) . ?
Ru2 C17 2.230(6) . ?
Ru2 C14 2.209(6) . ?
Ru2 C16 2.225(6) . ?
Ru2 CCN1 2.024(5) . ?
Ru3 P5 2.2549(15) . ?
Ru3 P6 2.2619(15) . ?
Ru3 CCNM 2.014(5) . ?
Ru3 C49 2.236(6) . ?
Ru3 C50 2.223(6) . ?
Ru3 C51 2.209(6) . ?
Ru3 C47 2.246(6) . ?
Ru3 C48 2.233(6) . ?
Ru3 NCNM 2.014(5) . ?
Co1 Cl2 2.3311(14) . ?
Co1 Cl3 2.3433(14) . ?
Co1 Cl1 2.3220(14) . ?
Co1 N7 2.283(4) 2_655 ?
Co1 N1 2.261(4) . ?
P4 C26 1.854(5) . ?
P4 C24 1.848(5) . ?
P4 C25 1.844(5) . ?
P3 C20 1.840(5) . ?
P3 C19 1.833(5) . ?
P3 C18 1.840(5) . ?
P2 C7 1.852(6) . ?
P2 C8 1.852(6) . ?
P2 C9 1.840(6) . ?
P5 C36 1.844(6) . ?
P5 C35 1.836(6) . ?
P5 C37 1.847(6) . ?
P6 C41 1.844(6) . ?
P6 C42 1.839(6) . ?
P6 C43 1.848(6) . ?
P1 C1 1.835(5) . ?
P1 C2 1.837(6) . ?
P1 C3 1.846(6) . ?
N7 C22 1.491(7) . ?
N7 C20 1.489(6) . ?
N7 C21 1.485(6) . ?
N11 C28 1.472(7) . ?
N11 C29 1.483(7) . ?
N11 C25 1.483(7) . ?
N1 C4 1.488(6) . ?
N1 C1 1.496(7) . ?
N1 C5 1.488(7) . ?
N9 C22 1.471(6) . ?
N9 C23 1.470(7) . ?
N9 C18 1.478(7) . ?
N10 C27 1.466(7) . ?
N10 C24 1.483(7) . ?
N10 C29 1.464(7) . ?
NCN CCN 1.140(7) . ?
N2 C4 1.467(7) . ?
N2 C3 1.484(7) . ?
N2 C6 1.458(8) . ?
N12 C28 1.463(7) . ?
N12 C27 1.465(7) . ?
N12 C26 1.473(7) . ?
N8 C19 1.481(7) . ?
N8 C23 1.479(7) . ?
N8 C21 1.475(7) . ?
N3 C5 1.480(7) . ?
N3 C2 1.475(7) . ?
N3 C6 1.473(7) . ?
N5 C7 1.476(7) . ?
N5 C12 1.458(9) . ?
N5 C10 1.456(8) . ?
N6 C8 1.479(7) . ?
N6 C11 1.457(8) . ?
N6 C10 1.479(8) . ?
CCNM CCNM 1.158(10) 3_766 ?
N14 C35 1.480(8) . ?
N14 C40 1.479(8) . ?
N14 C39 1.463(9) . ?
N16 C44 1.463(8) . ?
N16 C42 1.487(7) . ?
N16 C46 1.465(8) . ?
N15 C36 1.484(7) . ?
N15 C40 1.455(8) . ?
N15 C38 1.459(8) . ?
N17 C41 1.489(8) . ?
N17 C44 1.451(8) . ?
N17 C45 1.446(9) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
N4 C9 1.483(7) . ?
N4 C12 1.474(8) . ?
N4 C11 1.462(8) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
N13 C37 1.486(8) . ?
N13 C38 1.460(8) . ?
N13 C39 1.479(9) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
N18 C43 1.489(8) . ?
N18 C46 1.470(9) . ?
N18 C45 1.467(10) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C32 H32 0.9500 . ?
C32 C31 1.435(8) . ?
C32 C33 1.415(8) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C49 H49 0.9500 . ?
C49 C50 1.428(9) . ?
C49 C48 1.396(9) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C30 H30 0.9500 . ?
C30 C34 1.429(9) . ?
C30 C31 1.393(8) . ?
C15 H15 0.9500 . ?
C15 C14 1.422(9) . ?
C15 C16 1.417(9) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C50 H50 0.9500 . ?
C50 C51 1.405(9) . ?
C13 H13 0.9500 . ?
C13 C17 1.407(10) . ?
C13 C14 1.411(9) . ?
C34 H34 0.9500 . ?
C34 C33 1.416(9) . ?
C17 H17 0.9500 . ?
C17 C16 1.401(9) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C14 H14 0.9500 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C31 H31 0.9500 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C51 H51 0.9500 . ?
C51 C47 1.423(9) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C33 H33 0.9500 . ?
C16 H16 0.9500 . ?
C47 H47 0.9500 . ?
C47 C48 1.428(10) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C48 H48 0.9500 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
O14C O14D 1.81(4) . ?
CCN1 NCN1 1.140(7) . ?

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
P4 Ru1 P3 94.04(5) . . ?
CCN Ru1 P4 89.08(14) . . ?
CCN Ru1 P3 85.89(14) . . ?
CCN Ru1 C32 154.2(2) . . ?
CCN Ru1 C30 93.9(2) . . ?
CCN Ru1 C34 104.5(2) . . ?
CCN Ru1 C31 117.2(2) . . ?
CCN Ru1 C33 140.4(2) . . ?
C32 Ru1 P4 115.40(15) . . ?
C32 Ru1 P3 99.55(17) . . ?
C32 Ru1 C31 37.5(2) . . ?
C30 Ru1 P4 142.71(16) . . ?
C30 Ru1 P3 123.24(16) . . ?
C30 Ru1 C32 61.9(2) . . ?
C30 Ru1 C31 36.4(2) . . ?
C34 Ru1 P4 105.98(17) . . ?
C34 Ru1 P3 157.39(16) . . ?
C34 Ru1 C32 62.6(2) . . ?
C34 Ru1 C30 37.5(2) . . ?
C34 Ru1 C31 62.1(2) . . ?
C31 Ru1 P4 152.60(15) . . ?
C31 Ru1 P3 95.26(15) . . ?
C33 Ru1 P4 93.31(15) . . ?
C33 Ru1 P3 133.16(18) . . ?
C33 Ru1 C32 37.2(2) . . ?
C33 Ru1 C30 61.8(2) . . ?
C33 Ru1 C34 37.3(2) . . ?
C33 Ru1 C31 61.9(2) . . ?
NCN1 Ru1 P4 89.08(14) . . ?
NCN1 Ru1 P3 85.89(14) . . ?
NCN1 Ru1 C32 154.2(2) . . ?
NCN1 Ru1 C30 93.9(2) . . ?
NCN1 Ru1 C34 104.5(2) . . ?
NCN1 Ru1 C31 117.2(2) . . ?
NCN1 Ru1 C33 140.4(2) . . ?
P1 Ru2 P2 96.28(5) . . ?
NCN Ru2 P2 83.63(14) . . ?
NCN Ru2 P1 90.25(14) . . ?
NCN Ru2 C15 111.2(2) . . ?
NCN Ru2 C13 146.8(2) . . ?
NCN Ru2 C17 109.9(2) . . ?
NCN Ru2 C14 148.6(2) . . ?
NCN Ru2 C16 93.0(2) . . ?
C15 Ru2 P2 159.66(17) . . ?
C15 Ru2 P1 97.51(17) . . ?
C15 Ru2 C17 62.0(2) . . ?
C15 Ru2 C16 37.2(2) . . ?
C13 Ru2 P2 97.79(17) . . ?
C13 Ru2 P1 122.29(19) . . ?
C13 Ru2 C15 62.1(2) . . ?
C13 Ru2 C17 37.0(3) . . ?
C13 Ru2 C14 37.3(2) . . ?
C13 Ru2 C16 61.5(2) . . ?
C17 Ru2 P2 100.43(18) . . ?
C17 Ru2 P1 154.97(18) . . ?
C14 Ru2 P2 126.96(17) . . ?
C14 Ru2 P1 92.80(17) . . ?
C14 Ru2 C15 37.5(2) . . ?
C14 Ru2 C17 62.2(2) . . ?
C14 Ru2 C16 62.1(2) . . ?
C16 Ru2 P2 132.22(18) . . ?
C16 Ru2 P1 131.46(18) . . ?
C16 Ru2 C17 36.7(2) . . ?
CCN1 Ru2 P2 83.63(14) . . ?
CCN1 Ru2 P1 90.25(14) . . ?
CCN1 Ru2 C15 111.2(2) . . ?
CCN1 Ru2 C13 146.8(2) . . ?
CCN1 Ru2 C17 109.9(2) . . ?
CCN1 Ru2 C14 148.6(2) . . ?
CCN1 Ru2 C16 93.0(2) . . ?
P5 Ru3 P6 96.41(6) . . ?
CCNM Ru3 P5 87.75(15) . . ?
CCNM Ru3 P6 86.44(15) . . ?
CCNM Ru3 C49 112.1(2) . . ?
CCNM Ru3 C50 149.5(2) . . ?
CCNM Ru3 C51 147.7(2) . . ?
CCNM Ru3 C47 110.7(2) . . ?
CCNM Ru3 C48 94.4(2) . . ?
C49 Ru3 P5 98.16(18) . . ?
C49 Ru3 P6 156.72(17) . . ?
C49 Ru3 C47 62.0(2) . . ?
C50 Ru3 P5 94.59(18) . . ?
C50 Ru3 P6 123.37(17) . . ?
C50 Ru3 C49 37.4(2) . . ?
C50 Ru3 C47 62.1(2) . . ?
C50 Ru3 C48 61.4(2) . . ?
C51 Ru3 P5 123.97(17) . . ?
C51 Ru3 P6 94.78(17) . . ?
C51 Ru3 C49 62.0(2) . . ?
C51 Ru3 C50 37.0(2) . . ?
C51 Ru3 C47 37.2(2) . . ?
C51 Ru3 C48 61.6(2) . . ?
C47 Ru3 P5 156.54(17) . . ?
C47 Ru3 P6 99.04(17) . . ?
C48 Ru3 P5 130.74(19) . . ?
C48 Ru3 P6 132.84(19) . . ?
C48 Ru3 C49 36.4(2) . . ?
C48 Ru3 C47 37.2(2) . . ?
NCNM Ru3 P5 87.75(15) . . ?
NCNM Ru3 P6 86.44(15) . . ?
NCNM Ru3 C49 112.1(2) . . ?
NCNM Ru3 C50 149.5(2) . . ?
NCNM Ru3 C51 147.7(2) . . ?
NCNM Ru3 C47 110.7(2) . . ?
NCNM Ru3 C48 94.4(2) . . ?
Cl2 Co1 Cl3 120.48(6) . . ?
Cl1 Co1 Cl2 114.36(6) . . ?
Cl1 Co1 Cl3 125.16(6) . . ?
N7 Co1 Cl2 90.35(11) 2_655 . ?
N7 Co1 Cl3 89.68(11) 2_655 . ?
N7 Co1 Cl1 90.04(11) 2_655 . ?
N1 Co1 Cl2 91.66(12) . . ?
N1 Co1 Cl3 87.97(11) . . ?
N1 Co1 Cl1 90.54(12) . . ?
N1 Co1 N7 177.47(16) . 2_655 ?
C26 P4 Ru1 117.77(18) . . ?
C24 P4 Ru1 121.53(17) . . ?
C24 P4 C26 96.4(3) . . ?
C25 P4 Ru1 119.97(18) . . ?
C25 P4 C26 97.0(2) . . ?
C25 P4 C24 98.9(2) . . ?
C20 P3 Ru1 122.81(17) . . ?
C19 P3 Ru1 118.63(17) . . ?
C19 P3 C20 98.1(2) . . ?
C19 P3 C18 98.8(3) . . ?
C18 P3 Ru1 117.26(18) . . ?
C18 P3 C20 96.3(2) . . ?
C7 P2 Ru2 122.4(2) . . ?
C8 P2 Ru2 113.91(19) . . ?
C8 P2 C7 96.9(3) . . ?
C9 P2 Ru2 122.59(19) . . ?
C9 P2 C7 98.1(3) . . ?
C9 P2 C8 97.5(3) . . ?
C36 P5 Ru3 121.7(2) . . ?
C36 P5 C37 97.8(3) . . ?
C35 P5 Ru3 115.3(2) . . ?
C35 P5 C36 97.1(3) . . ?
C35 P5 C37 97.7(3) . . ?
C37 P5 Ru3 122.0(2) . . ?
C41 P6 Ru3 114.3(2) . . ?
C41 P6 C43 97.5(3) . . ?
C42 P6 Ru3 122.6(2) . . ?
C42 P6 C41 97.3(3) . . ?
C42 P6 C43 97.5(3) . . ?
C43 P6 Ru3 122.3(2) . . ?
C1 P1 Ru2 119.99(17) . . ?
C1 P1 C2 98.5(2) . . ?
C1 P1 C3 97.6(2) . . ?
C2 P1 Ru2 121.99(18) . . ?
C2 P1 C3 97.3(3) . . ?
C3 P1 Ru2 116.51(18) . . ?
C22 N7 Co1 113.4(3) . 2_645 ?
C20 N7 Co1 107.2(3) . 2_645 ?
C20 N7 C22 109.5(4) . . ?
C21 N7 Co1 108.5(3) . 2_645 ?
C21 N7 C22 107.8(4) . . ?
C21 N7 C20 110.4(4) . . ?
C28 N11 C29 108.1(4) . . ?
C28 N11 C25 110.6(4) . . ?
C25 N11 C29 110.3(4) . . ?
C4 N1 Co1 110.5(3) . . ?
C4 N1 C1 109.6(4) . . ?
C1 N1 Co1 108.1(3) . . ?
C5 N1 Co1 109.9(3) . . ?
C5 N1 C4 108.4(4) . . ?
C5 N1 C1 110.4(4) . . ?
C22 N9 C18 112.4(4) . . ?
C23 N9 C22 108.5(4) . . ?
C23 N9 C18 110.6(4) . . ?
C27 N10 C24 109.6(4) . . ?
C29 N10 C27 109.0(4) . . ?
C29 N10 C24 111.6(4) . . ?
CCN NCN Ru2 176.2(5) . . ?
C4 N2 C3 111.4(4) . . ?
C6 N2 C4 108.9(4) . . ?
C6 N2 C3 112.0(4) . . ?
NCN CCN Ru1 177.5(5) . . ?
C28 N12 C27 108.3(4) . . ?
C28 N12 C26 111.7(4) . . ?
C27 N12 C26 111.5(4) . . ?
C23 N8 C19 111.9(4) . . ?
C21 N8 C19 110.4(4) . . ?
C21 N8 C23 108.7(4) . . ?
C2 N3 C5 111.7(4) . . ?
C6 N3 C5 108.3(4) . . ?
C6 N3 C2 111.4(4) . . ?
C12 N5 C7 111.1(5) . . ?
C10 N5 C7 111.7(5) . . ?
C10 N5 C12 109.4(5) . . ?
C8 N6 C10 110.2(5) . . ?
C11 N6 C8 110.6(5) . . ?
C11 N6 C10 108.6(5) . . ?
CCNM CCNM Ru3 178.4(7) 3_766 . ?
C40 N14 C35 110.5(5) . . ?
C39 N14 C35 110.2(5) . . ?
C39 N14 C40 108.9(5) . . ?
C44 N16 C42 110.5(5) . . ?
C44 N16 C46 109.0(5) . . ?
C46 N16 C42 110.4(5) . . ?
C40 N15 C36 111.0(5) . . ?
C40 N15 C38 109.1(5) . . ?
C38 N15 C36 111.0(5) . . ?
C44 N17 C41 110.2(5) . . ?
C45 N17 C41 110.9(5) . . ?
C45 N17 C44 109.0(5) . . ?
N7 C22 H22A 108.8 . . ?
N7 C22 H22B 108.8 . . ?
N9 C22 N7 114.0(4) . . ?
N9 C22 H22A 108.8 . . ?
N9 C22 H22B 108.8 . . ?
H22A C22 H22B 107.7 . . ?
C12 N4 C9 110.6(5) . . ?
C11 N4 C9 111.5(5) . . ?
C11 N4 C12 109.0(5) . . ?
P3 C20 H20A 108.7 . . ?
P3 C20 H20B 108.7 . . ?
N7 C20 P3 114.3(3) . . ?
N7 C20 H20A 108.7 . . ?
N7 C20 H20B 108.7 . . ?
H20A C20 H20B 107.6 . . ?
N1 C4 H4A 108.8 . . ?
N1 C4 H4B 108.8 . . ?
N2 C4 N1 114.0(4) . . ?
N2 C4 H4A 108.8 . . ?
N2 C4 H4B 108.8 . . ?
H4A C4 H4B 107.6 . . ?
P1 C1 H1A 108.8 . . ?
P1 C1 H1B 108.8 . . ?
N1 C1 P1 113.7(3) . . ?
N1 C1 H1A 108.8 . . ?
N1 C1 H1B 108.8 . . ?
H1A C1 H1B 107.7 . . ?
N11 C28 H28A 108.6 . . ?
N11 C28 H28B 108.6 . . ?
N12 C28 N11 114.5(4) . . ?
N12 C28 H28A 108.6 . . ?
N12 C28 H28B 108.6 . . ?
H28A C28 H28B 107.6 . . ?
N10 C27 H27A 108.7 . . ?
N10 C27 H27B 108.7 . . ?
N12 C27 N10 114.3(4) . . ?
N12 C27 H27A 108.7 . . ?
N12 C27 H27B 108.7 . . ?
H27A C27 H27B 107.6 . . ?
C38 N13 C37 111.5(5) . . ?
C38 N13 C39 108.3(5) . . ?
C39 N13 C37 110.5(5) . . ?
P4 C26 H26A 109.1 . . ?
P4 C26 H26B 109.1 . . ?
N12 C26 P4 112.4(4) . . ?
N12 C26 H26A 109.1 . . ?
N12 C26 H26B 109.1 . . ?
H26A C26 H26B 107.8 . . ?
P3 C19 H19A 109.1 . . ?
P3 C19 H19B 109.1 . . ?
N8 C19 P3 112.3(3) . . ?
N8 C19 H19A 109.1 . . ?
N8 C19 H19B 109.1 . . ?
H19A C19 H19B 107.9 . . ?
P4 C24 H24A 109.0 . . ?
P4 C24 H24B 109.0 . . ?
N10 C24 P4 112.9(4) . . ?
N10 C24 H24A 109.0 . . ?
N10 C24 H24B 109.0 . . ?
H24A C24 H24B 107.8 . . ?
N11 C29 H29A 108.6 . . ?
N11 C29 H29B 108.6 . . ?
N10 C29 N11 114.7(4) . . ?
N10 C29 H29A 108.6 . . ?
N10 C29 H29B 108.6 . . ?
H29A C29 H29B 107.6 . . ?
N9 C23 N8 114.0(4) . . ?
N9 C23 H23A 108.8 . . ?
N9 C23 H23B 108.8 . . ?
N8 C23 H23A 108.8 . . ?
N8 C23 H23B 108.8 . . ?
H23A C23 H23B 107.7 . . ?
N7 C21 H21A 108.6 . . ?
N7 C21 H21B 108.6 . . ?
N8 C21 N7 114.6(4) . . ?
N8 C21 H21A 108.6 . . ?
N8 C21 H21B 108.6 . . ?
H21A C21 H21B 107.6 . . ?
N1 C5 H5A 108.8 . . ?
N1 C5 H5B 108.8 . . ?
N3 C5 N1 113.7(4) . . ?
N3 C5 H5A 108.8 . . ?
N3 C5 H5B 108.8 . . ?
H5A C5 H5B 107.7 . . ?
P5 C36 H36A 109.1 . . ?
P5 C36 H36B 109.1 . . ?
N15 C36 P5 112.7(4) . . ?
N15 C36 H36A 109.1 . . ?
N15 C36 H36B 109.1 . . ?
H36A C36 H36B 107.8 . . ?
P3 C18 H18A 109.0 . . ?
P3 C18 H18B 109.0 . . ?
N9 C18 P3 112.9(4) . . ?
N9 C18 H18A 109.0 . . ?
N9 C18 H18B 109.0 . . ?
H18A C18 H18B 107.8 . . ?
C46 N18 C43 110.9(6) . . ?
C45 N18 C43 110.5(6) . . ?
C45 N18 C46 109.1(5) . . ?
P4 C25 H25A 108.9 . . ?
P4 C25 H25B 108.9 . . ?
N11 C25 P4 113.3(4) . . ?
N11 C25 H25A 108.9 . . ?
N11 C25 H25B 108.9 . . ?
H25A C25 H25B 107.7 . . ?
Ru1 C32 H32 123.1 . . ?
C31 C32 Ru1 71.4(3) . . ?
C31 C32 H32 126.7 . . ?
C33 C32 Ru1 70.5(3) . . ?
C33 C32 H32 126.7 . . ?
C33 C32 C31 106.6(5) . . ?
P2 C7 H7A 109.2 . . ?
P2 C7 H7B 109.2 . . ?
N5 C7 P2 112.1(4) . . ?
N5 C7 H7A 109.2 . . ?
N5 C7 H7B 109.2 . . ?
H7A C7 H7B 107.9 . . ?
P1 C2 H2A 109.0 . . ?
P1 C2 H2B 109.0 . . ?
N3 C2 P1 112.7(4) . . ?
N3 C2 H2A 109.0 . . ?
N3 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
Ru3 C49 H49 122.9 . . ?
C50 C49 Ru3 70.8(3) . . ?
C50 C49 H49 126.3 . . ?
C48 C49 Ru3 71.7(3) . . ?
C48 C49 H49 126.3 . . ?
C48 C49 C50 107.4(6) . . ?
P2 C8 H8A 108.9 . . ?
P2 C8 H8B 108.9 . . ?
N6 C8 P2 113.4(4) . . ?
N6 C8 H8A 108.9 . . ?
N6 C8 H8B 108.9 . . ?
H8A C8 H8B 107.7 . . ?
P2 C9 H9A 109.2 . . ?
P2 C9 H9B 109.2 . . ?
N4 C9 P2 112.2(4) . . ?
N4 C9 H9A 109.2 . . ?
N4 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
Ru1 C30 H30 122.9 . . ?
C34 C30 Ru1 71.1(3) . . ?
C34 C30 H30 125.4 . . ?
C31 C30 Ru1 72.2(3) . . ?
C31 C30 H30 125.4 . . ?
C31 C30 C34 109.2(5) . . ?
Ru2 C15 H15 122.9 . . ?
C14 C15 Ru2 70.9(3) . . ?
C14 C15 H15 126.3 . . ?
C16 C15 Ru2 71.6(3) . . ?
C16 C15 H15 126.3 . . ?
C16 C15 C14 107.4(6) . . ?
P6 C41 H41A 109.0 . . ?
P6 C41 H41B 109.0 . . ?
N17 C41 P6 112.9(4) . . ?
N17 C41 H41A 109.0 . . ?
N17 C41 H41B 109.0 . . ?
H41A C41 H41B 107.8 . . ?
P1 C3 H3A 109.2 . . ?
P1 C3 H3B 109.2 . . ?
N2 C3 P1 112.1(4) . . ?
N2 C3 H3A 109.2 . . ?
N2 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
Ru3 C50 H50 122.8 . . ?
C49 C50 Ru3 71.8(3) . . ?
C49 C50 H50 126.1 . . ?
C51 C50 Ru3 71.0(3) . . ?
C51 C50 C49 107.8(6) . . ?
C51 C50 H50 126.1 . . ?
Ru2 C13 H13 122.1 . . ?
C17 C13 Ru2 72.5(3) . . ?
C17 C13 H13 125.5 . . ?
C17 C13 C14 109.0(6) . . ?
C14 C13 Ru2 71.5(3) . . ?
C14 C13 H13 125.5 . . ?
Ru1 C34 H34 122.6 . . ?
C30 C34 Ru1 71.4(3) . . ?
C30 C34 H34 126.8 . . ?
C33 C34 Ru1 70.9(3) . . ?
C33 C34 C30 106.4(5) . . ?
C33 C34 H34 126.8 . . ?
Ru2 C17 H17 123.4 . . ?
C13 C17 Ru2 70.5(3) . . ?
C13 C17 H17 126.2 . . ?
C16 C17 Ru2 71.5(3) . . ?
C16 C17 C13 107.5(6) . . ?
C16 C17 H17 126.2 . . ?
P5 C35 H35A 108.8 . . ?
P5 C35 H35B 108.8 . . ?
N14 C35 P5 113.6(4) . . ?
N14 C35 H35A 108.8 . . ?
N14 C35 H35B 108.8 . . ?
H35A C35 H35B 107.7 . . ?
Ru2 C14 H14 122.5 . . ?
C15 C14 Ru2 71.7(3) . . ?
C15 C14 H14 126.3 . . ?
C13 C14 Ru2 71.2(3) . . ?
C13 C14 C15 107.3(6) . . ?
C13 C14 H14 126.3 . . ?
N16 C44 H44A 108.5 . . ?
N16 C44 H44B 108.5 . . ?
N17 C44 N16 115.1(5) . . ?
N17 C44 H44A 108.5 . . ?
N17 C44 H44B 108.5 . . ?
H44A C44 H44B 107.5 . . ?
Ru1 C31 H31 123.3 . . ?
C32 C31 Ru1 71.1(3) . . ?
C32 C31 H31 125.9 . . ?
C30 C31 Ru1 71.4(3) . . ?
C30 C31 C32 108.3(5) . . ?
C30 C31 H31 125.9 . . ?
N5 C12 N4 113.8(5) . . ?
N5 C12 H12A 108.8 . . ?
N5 C12 H12B 108.8 . . ?
N4 C12 H12A 108.8 . . ?
N4 C12 H12B 108.8 . . ?
H12A C12 H12B 107.7 . . ?
Ru3 C51 H51 121.4 . . ?
C50 C51 Ru3 72.1(3) . . ?
C50 C51 H51 125.4 . . ?
C50 C51 C47 109.2(6) . . ?
C47 C51 Ru3 72.8(3) . . ?
C47 C51 H51 125.4 . . ?
N2 C6 N3 113.7(5) . . ?
N2 C6 H6A 108.8 . . ?
N2 C6 H6B 108.8 . . ?
N3 C6 H6A 108.8 . . ?
N3 C6 H6B 108.8 . . ?
H6A C6 H6B 107.7 . . ?
Ru1 C33 H33 122.3 . . ?
C32 C33 Ru1 72.3(3) . . ?
C32 C33 C34 109.6(5) . . ?
C32 C33 H33 125.2 . . ?
C34 C33 Ru1 71.8(3) . . ?
C34 C33 H33 125.2 . . ?
Ru2 C16 H16 123.0 . . ?
C15 C16 Ru2 71.2(3) . . ?
C15 C16 H16 125.6 . . ?
C17 C16 Ru2 71.9(3) . . ?
C17 C16 C15 108.8(6) . . ?
C17 C16 H16 125.6 . . ?
Ru3 C47 H47 123.7 . . ?
C51 C47 Ru3 70.0(3) . . ?
C51 C47 H47 127.1 . . ?
C51 C47 C48 105.8(6) . . ?
C48 C47 Ru3 70.9(4) . . ?
C48 C47 H47 127.1 . . ?
P6 C42 H42A 109.0 . . ?
P6 C42 H42B 109.0 . . ?
N16 C42 P6 113.1(4) . . ?
N16 C42 H42A 109.0 . . ?
N16 C42 H42B 109.0 . . ?
H42A C42 H42B 107.8 . . ?
N6 C11 N4 114.6(5) . . ?
N6 C11 H11A 108.6 . . ?
N6 C11 H11B 108.6 . . ?
N4 C11 H11A 108.6 . . ?
N4 C11 H11B 108.6 . . ?
H11A C11 H11B 107.6 . . ?
P5 C37 H37A 109.2 . . ?
P5 C37 H37B 109.2 . . ?
N13 C37 P5 112.3(4) . . ?
N13 C37 H37A 109.2 . . ?
N13 C37 H37B 109.2 . . ?
H37A C37 H37B 107.9 . . ?
N14 C40 H40A 108.8 . . ?
N14 C40 H40B 108.8 . . ?
N15 C40 N14 113.9(5) . . ?
N15 C40 H40A 108.8 . . ?
N15 C40 H40B 108.8 . . ?
H40A C40 H40B 107.7 . . ?
N5 C10 N6 113.9(5) . . ?
N5 C10 H10A 108.8 . . ?
N5 C10 H10B 108.8 . . ?
N6 C10 H10A 108.8 . . ?
N6 C10 H10B 108.8 . . ?
H10A C10 H10B 107.7 . . ?
N15 C38 N13 114.7(5) . . ?
N15 C38 H38A 108.6 . . ?
N15 C38 H38B 108.6 . . ?
N13 C38 H38A 108.6 . . ?
N13 C38 H38B 108.6 . . ?
H38A C38 H38B 107.6 . . ?
P6 C43 H43A 109.1 . . ?
P6 C43 H43B 109.1 . . ?
N18 C43 P6 112.5(4) . . ?
N18 C43 H43A 109.1 . . ?
N18 C43 H43B 109.1 . . ?
H43A C43 H43B 107.8 . . ?
Ru3 C48 H48 122.6 . . ?
C49 C48 Ru3 71.9(4) . . ?
C49 C48 C47 109.8(6) . . ?
C49 C48 H48 125.1 . . ?
C47 C48 Ru3 71.9(3) . . ?
C47 C48 H48 125.1 . . ?
N14 C39 N13 114.4(5) . . ?
N14 C39 H39A 108.7 . . ?
N14 C39 H39B 108.7 . . ?
N13 C39 H39A 108.7 . . ?
N13 C39 H39B 108.7 . . ?
H39A C39 H39B 107.6 . . ?
N16 C46 N18 113.7(5) . . ?
N16 C46 H46A 108.8 . . ?
N16 C46 H46B 108.8 . . ?
N18 C46 H46A 108.8 . . ?
N18 C46 H46B 108.8 . . ?
H46A C46 H46B 107.7 . . ?
N17 C45 N18 114.8(5) . . ?
N17 C45 H45A 108.6 . . ?
N17 C45 H45B 108.6 . . ?
N18 C45 H45A 108.6 . . ?
N18 C45 H45B 108.6 . . ?
H45A C45 H45B 107.5 . . ?
NCN1 CCN1 Ru2 176.2(5) . . ?
CCN1 NCN1 Ru1 177.5(5) . . ?

_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_transRuRuCo-1DMSO
_database_code_depnum_ccdc_archive 'CCDC 1573950'
_audit_update_record             
;
2018-01-18 deposited with the CCDC.
2018-01-29 downloaded from the CCDC.
;
_audit_creation_date             2018-01-10
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.12.08 svn.r3473 for OlexSys, GUI svn.r5433)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            1DMSO
_chemical_name_systematic        ?
_chemical_formula_moiety         
'0.5(C70 H116 Cl6 Co2 N26 P8 Ru4), 2(C2 H6 O S)'
_chemical_formula_sum            'C39 H70 Cl3 Co N13 O2 P4 Ru2 S2'
_chemical_formula_weight         1308.50
_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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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           15
_space_group_name_H-M_alt        'C 1 2/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'
'-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                   18.4888(13)
_cell_length_b                   15.9993(12)
_cell_length_c                   17.5570(13)
_cell_angle_alpha                90
_cell_angle_beta                 96.1210(10)
_cell_angle_gamma                90
_cell_volume                     5163.9(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6171
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.067
_cell_measurement_theta_min      2.216
_shelx_estimated_absorpt_T_max   0.928
_shelx_estimated_absorpt_T_min   0.797
_exptl_absorpt_coefficient_mu    1.304
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6564
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.0436 before and 0.0368 after correction. The Ratio of minimum to maximum transmission is 0.8805. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2676
_exptl_crystal_size_max          0.182
_exptl_crystal_size_mid          0.063
_exptl_crystal_size_min          0.058
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0256
_diffrn_reflns_av_unetI/netI     0.0293
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16361
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.732
_diffrn_reflns_theta_min         1.687
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4912
_reflns_number_total             5452
_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       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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         0.438
_refine_diff_density_min         -0.265
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         5452
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0297
_refine_ls_R_factor_gt           0.0254
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0248P)²+5.4852P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0562
_refine_ls_wR_factor_ref         0.0581
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Shared sites
{C1P, N1P}
3. Uiso/Uaniso restraints and constraints
Uanis(C1P) = Uanis(N1P)
4. Others
 Fixed Sof: C1P(0.5) N1P(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C11(H11A,H11B), C16(H16A,H16B), C12(H12A,H12B), C13(H13A,
 H13B), C15(H15A,H15B), C25(H25A,H25B), C22(H22A,H22B), C23(H23A,H23B),
 C21(H21A,H21B), C26(H26A,H26B), C24(H24A,H24B)
5.b Aromatic/amide H refined with riding coordinates:
 C35(H35), C34(H34), C33(H33), C31(H31), C32(H32)
5.c Idealised Me refined as rotating group:
 C1D(H1DA,H1DB,H1DC), C2D(H2DA,H2DB,H2DC)
;
_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 0.39171(2) 0.57120(2) 0.55787(2) 0.01182(5) Uani 1 1 d . . . . .
Co2 Co 0.500000 0.77199(2) 0.250000 0.01051(9) Uani 1 2 d S T P . .
Cl1 Cl 0.500000 0.91588(4) 0.250000 0.01358(14) Uani 1 2 d S T P . .
Cl2 Cl 0.39629(3) 0.70080(3) 0.20293(3) 0.01556(11) Uani 1 1 d . . . . .
P2 P 0.31861(3) 0.50045(3) 0.46858(3) 0.01161(11) Uani 1 1 d . . . . .
P1 P 0.41296(3) 0.68783(3) 0.49164(3) 0.01197(11) Uani 1 1 d . . . . .
S1D S 0.38674(3) 0.82221(3) 0.77536(3) 0.01923(12) Uani 1 1 d . . . . .
O1D O 0.39062(9) 0.84296(10) 0.69237(9) 0.0263(4) Uani 1 1 d . . . . .
N11 N 0.46076(9) 0.77475(10) 0.36895(9) 0.0112(4) Uani 1 1 d . . . . .
N12 N 0.49363(9) 0.83431(11) 0.49839(10) 0.0132(4) Uani 1 1 d . . . . .
N13 N 0.36733(9) 0.84427(11) 0.43888(10) 0.0141(4) Uani 1 1 d . . . . .
N21 N 0.24814(10) 0.46685(12) 0.32451(10) 0.0197(4) Uani 1 1 d . . . . .
N23 N 0.28996(10) 0.34413(12) 0.40281(11) 0.0191(4) Uani 1 1 d . . . . .
N22 N 0.18378(10) 0.42562(11) 0.43477(11) 0.0187(4) Uani 1 1 d . . . . .
C1P C 0.47636(10) 0.51608(12) 0.51281(11) 0.0148(4) Uani 0.5 1 d . . . A 1
C14 C 0.51689(11) 0.81676(13) 0.42339(11) 0.0125(4) Uani 1 1 d . . . . .
H14A H 0.560709 0.780840 0.430193 0.015 Uiso 1 1 calc R . . . .
H14B H 0.530922 0.870019 0.400311 0.015 Uiso 1 1 calc R . . . .
C11 C 0.48286(11) 0.75706(13) 0.54136(12) 0.0137(4) Uani 1 1 d . . . . .
H11A H 0.468286 0.771899 0.592293 0.016 Uiso 1 1 calc R . . . .
H11B H 0.529560 0.726407 0.549486 0.016 Uiso 1 1 calc R . . . .
C16 C 0.39298(11) 0.82610(13) 0.36463(12) 0.0136(4) Uani 1 1 d . . . . .
H16A H 0.401875 0.879629 0.338921 0.016 Uiso 1 1 calc R . . . .
H16B H 0.354001 0.796295 0.332396 0.016 Uiso 1 1 calc R . . . .
C12 C 0.34139(11) 0.76793(13) 0.47377(12) 0.0156(4) Uani 1 1 d . . . . .
H12A H 0.300482 0.744310 0.439489 0.019 Uiso 1 1 calc R . . . .
H12B H 0.322766 0.782553 0.522885 0.019 Uiso 1 1 calc R . . . .
C13 C 0.44634(11) 0.68900(13) 0.39637(11) 0.0127(4) Uani 1 1 d . . . . .
H13A H 0.491753 0.655901 0.398492 0.015 Uiso 1 1 calc R . . . .
H13B H 0.409831 0.661759 0.359073 0.015 Uiso 1 1 calc R . . . .
C15 C 0.42680(11) 0.88364(14) 0.48878(12) 0.0167(4) Uani 1 1 d . . . . .
H15A H 0.437698 0.938757 0.467058 0.020 Uiso 1 1 calc R . . . .
H15B H 0.410165 0.893423 0.539792 0.020 Uiso 1 1 calc R . . . .
C25 C 0.28100(13) 0.38335(15) 0.32675(13) 0.0213(5) Uani 1 1 d . . . . .
H25A H 0.329328 0.387354 0.307582 0.026 Uiso 1 1 calc R . . . .
H25B H 0.250372 0.346492 0.291327 0.026 Uiso 1 1 calc R . . . .
C22 C 0.29704(12) 0.52803(14) 0.36640(12) 0.0194(5) Uani 1 1 d . . . . .
H22A H 0.273829 0.583855 0.362635 0.023 Uiso 1 1 calc R . . . .
H22B H 0.342809 0.531406 0.341983 0.023 Uiso 1 1 calc R . . . .
C23 C 0.22474(11) 0.48119(14) 0.49006(12) 0.0168(5) Uani 1 1 d . . . . .
H23A H 0.226077 0.456254 0.541799 0.020 Uiso 1 1 calc R . . . .
H23B H 0.198890 0.535319 0.490857 0.020 Uiso 1 1 calc R . . . .
C35 C 0.34923(12) 0.50586(14) 0.65680(12) 0.0176(5) Uani 1 1 d . . . . .
H35 H 0.328645 0.451401 0.653996 0.021 Uiso 1 1 calc R . . . .
C21 C 0.34406(11) 0.39037(14) 0.45410(13) 0.0176(5) Uani 1 1 d . . . . .
H21A H 0.391358 0.388898 0.432487 0.021 Uiso 1 1 calc R . . . .
H21B H 0.350477 0.361904 0.504434 0.021 Uiso 1 1 calc R . . . .
C34 C 0.31056(13) 0.58266(14) 0.64097(12) 0.0189(5) Uani 1 1 d . . . . .
H34 H 0.259991 0.588215 0.625357 0.023 Uiso 1 1 calc R . . . .
C26 C 0.17849(12) 0.46151(15) 0.35715(13) 0.0223(5) Uani 1 1 d . . . . .
H26A H 0.144557 0.427012 0.322861 0.027 Uiso 1 1 calc R . . . .
H26B H 0.157453 0.518311 0.358663 0.027 Uiso 1 1 calc R . . . .
C24 C 0.21883(12) 0.34371(14) 0.43268(13) 0.0206(5) Uani 1 1 d . . . . .
H24A H 0.186042 0.305708 0.400681 0.025 Uiso 1 1 calc R . . . .
H24B H 0.224918 0.320561 0.485264 0.025 Uiso 1 1 calc R . . . .
C33 C 0.36146(14) 0.64866(15) 0.65285(12) 0.0242(5) Uani 1 1 d . . . . .
H33 H 0.350831 0.706534 0.646876 0.029 Uiso 1 1 calc R . . . .
C31 C 0.42293(13) 0.52522(16) 0.67721(12) 0.0237(5) Uani 1 1 d . . . . .
H31 H 0.460776 0.485935 0.690136 0.028 Uiso 1 1 calc R . . . .
C32 C 0.43127(14) 0.61370(17) 0.67525(12) 0.0281(6) Uani 1 1 d . . . . .
H32 H 0.475356 0.643830 0.686777 0.034 Uiso 1 1 calc R . . . .
C1D C 0.42900(13) 0.90616(15) 0.82989(14) 0.0247(5) Uani 1 1 d . . . . .
H1DA H 0.481127 0.906912 0.824088 0.037 Uiso 1 1 calc GR . . . .
H1DB H 0.422110 0.898589 0.884037 0.037 Uiso 1 1 calc GR . . . .
H1DC H 0.407009 0.959171 0.811556 0.037 Uiso 1 1 calc GR . . . .
C2D C 0.29575(13) 0.84387(17) 0.79420(15) 0.0293(6) Uani 1 1 d . . . . .
H2DA H 0.284432 0.902660 0.782667 0.044 Uiso 1 1 calc GR . . . .
H2DB H 0.290733 0.832805 0.848279 0.044 Uiso 1 1 calc GR . . . .
H2DC H 0.262082 0.808064 0.761995 0.044 Uiso 1 1 calc GR . . . .
N1P N 0.47636(10) 0.51608(12) 0.51281(11) 0.0148(4) Uani 0.5 1 d . . . A -1


_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 P2 2.2615(5) . ?
Ru1 P1 2.2552(6) . ?
Ru1 C1P 2.0292(19) . ?
Ru1 C35 2.240(2) . ?
Ru1 C34 2.209(2) . ?
Ru1 C33 2.197(2) . ?
Ru1 C31 2.237(2) . ?
Ru1 C32 2.219(2) . ?
Ru1 N1P 2.0292(19) . ?
Co2 Cl1 2.3021(8) . ?
Co2 Cl2 2.3063(5) . ?
Co2 Cl2 2.3064(5) 2_655 ?
Co2 N11 2.2831(17) . ?
Co2 N11 2.2831(17) 2_655 ?
P2 C22 1.849(2) . ?
P2 C23 1.841(2) . ?
P2 C21 1.847(2) . ?
P1 C11 1.849(2) . ?
P1 C12 1.845(2) . ?
P1 C13 1.844(2) . ?
S1D O1D 1.5037(17) . ?
S1D C1D 1.781(2) . ?
S1D C2D 1.783(2) . ?
N11 C14 1.494(2) . ?
N11 C16 1.494(2) . ?
N11 C13 1.487(3) . ?
N12 C14 1.456(3) . ?
N12 C11 1.472(3) . ?
N12 C15 1.461(3) . ?
N13 C16 1.463(3) . ?
N13 C12 1.470(3) . ?
N13 C15 1.472(3) . ?
N21 C25 1.466(3) . ?
N21 C22 1.475(3) . ?
N21 C26 1.467(3) . ?
N23 C25 1.469(3) . ?
N23 C21 1.472(3) . ?
N23 C24 1.467(3) . ?
N22 C23 1.466(3) . ?
N22 C26 1.472(3) . ?
N22 C24 1.464(3) . ?
C1P C1P 1.147(4) 5_666 ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C35 H35 0.9500 . ?
C35 C34 1.434(3) . ?
C35 C31 1.406(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C34 H34 0.9500 . ?
C34 C33 1.415(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C33 H33 0.9500 . ?
C33 C32 1.423(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.425(4) . ?
C32 H32 0.9500 . ?
C1D H1DA 0.9800 . ?
C1D H1DB 0.9800 . ?
C1D H1DC 0.9800 . ?
C2D H2DA 0.9800 . ?
C2D H2DB 0.9800 . ?
C2D H2DC 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
P1 Ru1 P2 100.42(2) . . ?
C1P Ru1 P2 86.61(5) . . ?
C1P Ru1 P1 88.54(6) . . ?
C1P Ru1 C35 116.64(8) . . ?
C1P Ru1 C34 154.16(8) . . ?
C1P Ru1 C33 144.13(8) . . ?
C1P Ru1 C31 95.14(8) . . ?
C1P Ru1 C32 107.68(9) . . ?
C35 Ru1 P2 94.07(6) . . ?
C35 Ru1 P1 151.73(6) . . ?
C34 Ru1 P2 95.83(6) . . ?
C34 Ru1 P1 116.09(6) . . ?
C34 Ru1 C35 37.59(8) . . ?
C34 Ru1 C31 62.25(9) . . ?
C34 Ru1 C32 62.68(9) . . ?
C33 Ru1 P2 128.81(7) . . ?
C33 Ru1 P1 89.83(6) . . ?
C33 Ru1 C35 62.36(9) . . ?
C33 Ru1 C34 37.47(8) . . ?
C33 Ru1 C31 62.35(9) . . ?
C33 Ru1 C32 37.60(9) . . ?
C31 Ru1 P2 124.06(6) . . ?
C31 Ru1 P1 135.49(6) . . ?
C31 Ru1 C35 36.60(8) . . ?
C32 Ru1 P2 155.61(7) . . ?
C32 Ru1 P1 99.62(7) . . ?
C32 Ru1 C35 62.03(8) . . ?
C32 Ru1 C31 37.29(9) . . ?
N1P Ru1 P2 86.61(5) . . ?
N1P Ru1 P1 88.54(6) . . ?
N1P Ru1 C1P 0.0 . . ?
N1P Ru1 C35 116.64(8) . . ?
N1P Ru1 C34 154.16(8) . . ?
N1P Ru1 C33 144.13(8) . . ?
N1P Ru1 C31 95.14(8) . . ?
N1P Ru1 C32 107.68(9) . . ?
Cl1 Co2 Cl2 119.593(16) . 2_655 ?
Cl1 Co2 Cl2 119.594(16) . . ?
Cl2 Co2 Cl2 120.81(3) . 2_655 ?
N11 Co2 Cl1 88.89(4) . . ?
N11 Co2 Cl1 88.89(4) 2_655 . ?
N11 Co2 Cl2 90.24(4) . . ?
N11 Co2 Cl2 90.86(4) . 2_655 ?
N11 Co2 Cl2 90.24(4) 2_655 2_655 ?
N11 Co2 Cl2 90.86(4) 2_655 . ?
N11 Co2 N11 177.78(9) 2_655 . ?
C22 P2 Ru1 127.17(7) . . ?
C23 P2 Ru1 116.65(7) . . ?
C23 P2 C22 97.37(10) . . ?
C23 P2 C21 97.36(10) . . ?
C21 P2 Ru1 115.49(7) . . ?
C21 P2 C22 97.23(10) . . ?
C11 P1 Ru1 113.81(7) . . ?
C12 P1 Ru1 120.08(7) . . ?
C12 P1 C11 96.70(10) . . ?
C13 P1 Ru1 124.74(7) . . ?
C13 P1 C11 97.90(9) . . ?
C13 P1 C12 98.17(10) . . ?
O1D S1D C1D 106.91(11) . . ?
O1D S1D C2D 106.27(11) . . ?
C1D S1D C2D 97.02(13) . . ?
C14 N11 Co2 109.10(12) . . ?
C14 N11 C16 107.87(15) . . ?
C16 N11 Co2 108.12(12) . . ?
C13 N11 Co2 111.32(12) . . ?
C13 N11 C14 110.13(15) . . ?
C13 N11 C16 110.21(16) . . ?
C14 N12 C11 111.76(16) . . ?
C14 N12 C15 109.13(16) . . ?
C15 N12 C11 110.72(16) . . ?
C16 N13 C12 110.94(17) . . ?
C16 N13 C15 108.82(16) . . ?
C12 N13 C15 111.33(16) . . ?
C25 N21 C22 111.17(17) . . ?
C25 N21 C26 108.35(18) . . ?
C26 N21 C22 111.16(18) . . ?
C25 N23 C21 110.18(18) . . ?
C24 N23 C25 107.96(17) . . ?
C24 N23 C21 111.11(17) . . ?
C23 N22 C26 110.79(17) . . ?
C24 N22 C23 111.14(17) . . ?
C24 N22 C26 108.17(18) . . ?
C1P C1P Ru1 179.0(3) 5_666 . ?
N11 C14 H14A 108.7 . . ?
N11 C14 H14B 108.7 . . ?
N12 C14 N11 114.43(16) . . ?
N12 C14 H14A 108.7 . . ?
N12 C14 H14B 108.7 . . ?
H14A C14 H14B 107.6 . . ?
P1 C11 H11A 109.0 . . ?
P1 C11 H11B 109.0 . . ?
N12 C11 P1 112.76(14) . . ?
N12 C11 H11A 109.0 . . ?
N12 C11 H11B 109.0 . . ?
H11A C11 H11B 107.8 . . ?
N11 C16 H16A 108.6 . . ?
N11 C16 H16B 108.6 . . ?
N13 C16 N11 114.46(16) . . ?
N13 C16 H16A 108.6 . . ?
N13 C16 H16B 108.6 . . ?
H16A C16 H16B 107.6 . . ?
P1 C12 H12A 109.0 . . ?
P1 C12 H12B 109.0 . . ?
N13 C12 P1 112.84(14) . . ?
N13 C12 H12A 109.0 . . ?
N13 C12 H12B 109.0 . . ?
H12A C12 H12B 107.8 . . ?
P1 C13 H13A 109.0 . . ?
P1 C13 H13B 109.0 . . ?
N11 C13 P1 113.07(14) . . ?
N11 C13 H13A 109.0 . . ?
N11 C13 H13B 109.0 . . ?
H13A C13 H13B 107.8 . . ?
N12 C15 N13 113.99(17) . . ?
N12 C15 H15A 108.8 . . ?
N12 C15 H15B 108.8 . . ?
N13 C15 H15A 108.8 . . ?
N13 C15 H15B 108.8 . . ?
H15A C15 H15B 107.7 . . ?
N21 C25 N23 114.83(18) . . ?
N21 C25 H25A 108.6 . . ?
N21 C25 H25B 108.6 . . ?
N23 C25 H25A 108.6 . . ?
N23 C25 H25B 108.6 . . ?
H25A C25 H25B 107.5 . . ?
P2 C22 H22A 109.1 . . ?
P2 C22 H22B 109.1 . . ?
N21 C22 P2 112.50(15) . . ?
N21 C22 H22A 109.1 . . ?
N21 C22 H22B 109.1 . . ?
H22A C22 H22B 107.8 . . ?
P2 C23 H23A 108.9 . . ?
P2 C23 H23B 108.9 . . ?
N22 C23 P2 113.42(15) . . ?
N22 C23 H23A 108.9 . . ?
N22 C23 H23B 108.9 . . ?
H23A C23 H23B 107.7 . . ?
Ru1 C35 H35 124.0 . . ?
C34 C35 Ru1 70.04(12) . . ?
C34 C35 H35 126.0 . . ?
C31 C35 Ru1 71.60(13) . . ?
C31 C35 H35 126.0 . . ?
C31 C35 C34 108.1(2) . . ?
P2 C21 H21A 108.9 . . ?
P2 C21 H21B 108.9 . . ?
N23 C21 P2 113.39(14) . . ?
N23 C21 H21A 108.9 . . ?
N23 C21 H21B 108.9 . . ?
H21A C21 H21B 107.7 . . ?
Ru1 C34 H34 122.3 . . ?
C35 C34 Ru1 72.37(12) . . ?
C35 C34 H34 126.2 . . ?
C33 C34 Ru1 70.81(13) . . ?
C33 C34 C35 107.5(2) . . ?
C33 C34 H34 126.2 . . ?
N21 C26 N22 114.19(17) . . ?
N21 C26 H26A 108.7 . . ?
N21 C26 H26B 108.7 . . ?
N22 C26 H26A 108.7 . . ?
N22 C26 H26B 108.7 . . ?
H26A C26 H26B 107.6 . . ?
N23 C24 H24A 108.5 . . ?
N23 C24 H24B 108.5 . . ?
N22 C24 N23 114.89(18) . . ?
N22 C24 H24A 108.5 . . ?
N22 C24 H24B 108.5 . . ?
H24A C24 H24B 107.5 . . ?
Ru1 C33 H33 122.2 . . ?
C34 C33 Ru1 71.72(13) . . ?
C34 C33 H33 125.8 . . ?
C34 C33 C32 108.5(2) . . ?
C32 C33 Ru1 72.02(14) . . ?
C32 C33 H33 125.8 . . ?
Ru1 C31 H31 123.4 . . ?
C35 C31 Ru1 71.79(12) . . ?
C35 C31 H31 125.8 . . ?
C35 C31 C32 108.5(2) . . ?
C32 C31 Ru1 70.64(12) . . ?
C32 C31 H31 125.8 . . ?
Ru1 C32 H32 122.9 . . ?
C33 C32 Ru1 70.39(12) . . ?
C33 C32 C31 107.4(2) . . ?
C33 C32 H32 126.3 . . ?
C31 C32 Ru1 72.07(12) . . ?
C31 C32 H32 126.3 . . ?
S1D C1D H1DA 109.5 . . ?
S1D C1D H1DB 109.5 . . ?
S1D C1D H1DC 109.5 . . ?
H1DA C1D H1DB 109.5 . . ?
H1DA C1D H1DC 109.5 . . ?
H1DB C1D H1DC 109.5 . . ?
S1D C2D H2DA 109.5 . . ?
S1D C2D H2DB 109.5 . . ?
S1D C2D H2DC 109.5 . . ?
H2DA C2D H2DB 109.5 . . ?
H2DA C2D H2DC 109.5 . . ?
H2DB C2D H2DC 109.5 . . ?

_olex2_submission_original_sample_id 1DMSO
_olex2_submission_special_instructions 'No special instructions were received'
