# 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. 
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data_2
_database_code_depnum_ccdc_archive 'CCDC 1854451'
_audit_update_record             
;
2018-09-13 deposited with the CCDC.
2018-09-14 downloaded from the CCDC.
;
_audit_creation_date             2018-09-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C90 H70 N4 O4 P4 Ru2'
_chemical_formula_sum            'C90 H70 N4 O4 P4 Ru2'
_chemical_formula_weight         1597.52
_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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.1737(3)
_cell_length_b                   12.5673(3)
_cell_length_c                   16.7521(4)
_cell_angle_alpha                89.742(2)
_cell_angle_beta                 71.246(2)
_cell_angle_gamma                72.049(2)
_cell_volume                     2107.34(10)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    27378
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.0980
_cell_measurement_theta_min      2.0210
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.484
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.90230
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic light blue'
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             818
_exptl_crystal_size_max          0.329
_exptl_crystal_size_mid          0.117
_exptl_crystal_size_min          0.102
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_exptl_special_details           SQUEZEE
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_av_unetI/netI     0.0299
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            40704
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.997
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         2.035
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6796
_reflns_number_total             7396
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.

For the modelleing of disordered coordinated H atoms and CO groups PART was applied
 and occupancy of the two fragments was 46 % and 55%. 

Except the metal cordinated H, all other hydroegn atoms were refined as per riding model. 

 The diffused electron density of the solvent molecules did not allow us to model
these solvent molecules, hence SQUEEZE routine was employed to calculate the
solvent accessible Void volume (398 A^3) and the total number of electrons (141) present in this void space.

 This void electrons are tentatively assigned for 3.3 molecules benzene solvent
molecules in one unit cell.

 The loop created in PLATON is appended at the end of cif file.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b28'
_computing_data_collection       'CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b28'
_computing_molecular_graphics    ORTEP-3
_computing_publication_material  ORTEP-3
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         0.723
_refine_diff_density_min         -0.567
_refine_diff_density_rms         0.083
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     483
_refine_ls_number_reflns         7396
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0420
_refine_ls_R_factor_gt           0.0380
_refine_ls_restrained_S_all      1.061
_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)+(0.0440P)²+2.8895P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.0978
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C45-O2
 1.16 with sigma of 0.002
 C45A-O2A
 1.16 with sigma of 0.002
3. Uiso/Uaniso restraints and constraints
Uanis(O2A) = Uanis(O2)
Uanis(C45A) = Uanis(C45)
Uiso(H) = Uiso(HA)
4. Others
 Sof(HA)=Sof(O2A)=Sof(C45A)=1-FVAR(1)
 Sof(H)=Sof(O2)=Sof(C45)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12), C13(H13),
 C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23),
  C24(H24), C25(H25), C26(H26), C28(H28), C29(H29), C30(H30), C31(H31),
 C32(H32), C34(H34), C35(H35), C36(H36), C37(H37), C38(H38), C40(H40), C41(H41),
  C42(H42), C43(H43), C44(H44)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.69710(2) 0.68591(2) 0.22777(2) 0.02258(8) Uani 1 1 d . . . . .
H H 0.618(7) 0.775(6) 0.296(4) 0.028(13) Uiso 0.540(3) 1 d . . P A 1
HA H 0.573(7) 0.666(6) 0.230(4) 0.028(13) Uiso 0.460(3) 1 d . . P A 2
P1 P 0.79761(7) 0.54888(6) 0.30346(4) 0.01992(15) Uani 1 1 d . . . . .
P2 P 0.60431(7) 0.81383(6) 0.14257(4) 0.02256(16) Uani 1 1 d . . . . .
O1 O 0.73713(18) 0.46543(17) 0.06698(12) 0.0277(4) Uani 1 1 d . . . . .
O2 O 0.4539(4) 0.6051(4) 0.2905(3) 0.0461(8) Uani 0.540(3) 1 d D . P A 1
O2A O 0.5189(5) 0.8401(4) 0.3895(3) 0.0461(8) Uani 0.460(3) 1 d D . P A 2
N1 N 0.8333(2) 0.58286(19) 0.11340(14) 0.0224(5) Uani 1 1 d . . . . .
N2 N 0.8672(2) 0.74693(19) 0.19569(14) 0.0248(5) Uani 1 1 d . . . . .
C1 C 0.8330(3) 0.4992(2) 0.05774(16) 0.0238(6) Uani 1 1 d . . . . .
C2 C 1.0361(3) 0.5326(2) 0.00856(17) 0.0231(6) Uani 1 1 d . . . . .
C3 C 0.9539(3) 0.6025(2) 0.08242(16) 0.0230(6) Uani 1 1 d . . . . .
C4 C 0.9725(3) 0.6914(2) 0.12618(17) 0.0239(6) Uani 1 1 d . . . . .
C5 C 1.0891(3) 0.7197(2) 0.09887(18) 0.0273(6) Uani 1 1 d . . . . .
H5 H 1.159649 0.680435 0.051037 0.033 Uiso 1 1 calc R . . . .
C6 C 1.0986(3) 0.8064(3) 0.1435(2) 0.0330(7) Uani 1 1 d . . . . .
H6 H 1.175949 0.826229 0.126488 0.040 Uiso 1 1 calc R . . . .
C7 C 0.9913(3) 0.8640(3) 0.2142(2) 0.0354(7) Uani 1 1 d . . . . .
H7 H 0.995389 0.923275 0.245189 0.043 Uiso 1 1 calc R . . . .
C8 C 0.8782(3) 0.8316(2) 0.23790(19) 0.0311(7) Uani 1 1 d . . . . .
H8 H 0.806439 0.870459 0.285334 0.037 Uiso 1 1 calc R . . . .
C9 C 0.9778(3) 0.5228(2) 0.27209(17) 0.0230(6) Uani 1 1 d . . . . .
C10 C 1.0669(3) 0.4355(3) 0.21065(19) 0.0314(7) Uani 1 1 d . . . . .
H10 H 1.035293 0.385672 0.189271 0.038 Uiso 1 1 calc R . . . .
C11 C 1.2024(3) 0.4218(3) 0.1808(2) 0.0376(7) Uani 1 1 d . . . . .
H11 H 1.260844 0.362821 0.139876 0.045 Uiso 1 1 calc R . . . .
C12 C 1.2503(3) 0.4946(3) 0.2113(2) 0.0370(8) Uani 1 1 d . . . . .
H12 H 1.341292 0.484650 0.191607 0.044 Uiso 1 1 calc R . . . .
C13 C 1.1636(3) 0.5830(3) 0.27144(19) 0.0334(7) Uani 1 1 d . . . . .
H13 H 1.196242 0.632891 0.291834 0.040 Uiso 1 1 calc R . . . .
C14 C 1.0280(3) 0.5976(2) 0.30144(18) 0.0270(6) Uani 1 1 d . . . . .
H14 H 0.969980 0.657805 0.341482 0.032 Uiso 1 1 calc R . . . .
C15 C 0.7359(3) 0.5737(2) 0.41962(17) 0.0236(6) Uani 1 1 d . . . . .
C16 C 0.8176(3) 0.5558(3) 0.46926(18) 0.0320(7) Uani 1 1 d . . . . .
H16 H 0.909949 0.532535 0.443578 0.038 Uiso 1 1 calc R . . . .
C17 C 0.7616(3) 0.5726(3) 0.5571(2) 0.0406(8) Uani 1 1 d . . . . .
H17 H 0.817087 0.561850 0.589679 0.049 Uiso 1 1 calc R . . . .
C18 C 0.6262(3) 0.6046(3) 0.59644(19) 0.0392(8) Uani 1 1 d . . . . .
H18 H 0.589688 0.615093 0.655284 0.047 Uiso 1 1 calc R . . . .
C19 C 0.5443(3) 0.6213(3) 0.5478(2) 0.0411(8) Uani 1 1 d . . . . .
H19 H 0.452122 0.642659 0.574036 0.049 Uiso 1 1 calc R . . . .
C20 C 0.5988(3) 0.6063(3) 0.45989(19) 0.0356(7) Uani 1 1 d . . . . .
H20 H 0.542714 0.618314 0.427707 0.043 Uiso 1 1 calc R . . . .
C21 C 0.7903(3) 0.4060(2) 0.28980(18) 0.0267(6) Uani 1 1 d . . . . .
C22 C 0.8526(3) 0.3211(3) 0.3307(3) 0.0441(8) Uani 1 1 d . . . . .
H22 H 0.898541 0.336729 0.364202 0.053 Uiso 1 1 calc R . . . .
C23 C 0.8467(4) 0.2135(3) 0.3221(3) 0.0565(11) Uani 1 1 d . . . . .
H23 H 0.889136 0.157428 0.349567 0.068 Uiso 1 1 calc R . . . .
C24 C 0.7791(4) 0.1889(3) 0.2734(3) 0.0498(9) Uani 1 1 d . . . . .
H24 H 0.774698 0.116652 0.268249 0.060 Uiso 1 1 calc R . . . .
C25 C 0.7177(4) 0.2718(3) 0.2322(2) 0.0434(8) Uani 1 1 d . . . . .
H25 H 0.672253 0.255296 0.198693 0.052 Uiso 1 1 calc R . . . .
C26 C 0.7231(3) 0.3803(3) 0.24038(18) 0.0333(7) Uani 1 1 d . . . . .
H26 H 0.681094 0.435902 0.212354 0.040 Uiso 1 1 calc R . . . .
C27 C 0.4759(3) 0.9468(2) 0.19684(18) 0.0306(7) Uani 1 1 d . . . . .
C28 C 0.4955(4) 1.0034(3) 0.2598(2) 0.0594(12) Uani 1 1 d . . . . .
H28 H 0.570886 0.971440 0.275103 0.071 Uiso 1 1 calc R . . . .
C29 C 0.4056(5) 1.1065(4) 0.3006(3) 0.0663(13) Uani 1 1 d . . . . .
H29 H 0.421978 1.144125 0.341535 0.080 Uiso 1 1 calc R . . . .
C30 C 0.2921(4) 1.1527(3) 0.2802(2) 0.0514(10) Uani 1 1 d . . . . .
H30 H 0.229996 1.220874 0.308353 0.062 Uiso 1 1 calc R . . . .
C31 C 0.2708(3) 1.0983(3) 0.2184(2) 0.0435(8) Uani 1 1 d . . . . .
H31 H 0.194208 1.130239 0.204331 0.052 Uiso 1 1 calc R . . . .
C32 C 0.3616(3) 0.9959(3) 0.17613(19) 0.0327(7) Uani 1 1 d . . . . .
H32 H 0.345881 0.960197 0.133870 0.039 Uiso 1 1 calc R . . . .
C33 C 0.5326(3) 0.7639(2) 0.07201(17) 0.0234(6) Uani 1 1 d . . . . .
C34 C 0.4832(3) 0.6747(3) 0.08992(19) 0.0295(6) Uani 1 1 d . . . . .
H34 H 0.485951 0.639391 0.138531 0.035 Uiso 1 1 calc R . . . .
C35 C 0.4297(3) 0.6378(3) 0.0356(2) 0.0342(7) Uani 1 1 d . . . . .
H35 H 0.394729 0.579236 0.048906 0.041 Uiso 1 1 calc R . . . .
C36 C 0.4278(3) 0.6869(3) -0.0378(2) 0.0322(7) Uani 1 1 d . . . . .
H36 H 0.394077 0.660324 -0.074717 0.039 Uiso 1 1 calc R . . . .
C37 C 0.4766(3) 0.7761(3) -0.05611(18) 0.0285(6) Uani 1 1 d . . . . .
H37 H 0.475111 0.809944 -0.105428 0.034 Uiso 1 1 calc R . . . .
C38 C 0.5275(3) 0.8153(2) -0.00160(18) 0.0250(6) Uani 1 1 d . . . . .
H38 H 0.558516 0.876208 -0.013941 0.030 Uiso 1 1 calc R . . . .
C39 C 0.7299(3) 0.8616(2) 0.06410(17) 0.0236(6) Uani 1 1 d . . . . .
C40 C 0.7416(3) 0.9677(3) 0.0733(2) 0.0333(7) Uani 1 1 d . . . . .
H40 H 0.685192 1.017021 0.121231 0.040 Uiso 1 1 calc R . . . .
C41 C 0.8361(3) 1.0003(3) 0.0120(2) 0.0405(8) Uani 1 1 d . . . . .
H41 H 0.840581 1.072415 0.017888 0.049 Uiso 1 1 calc R . . . .
C42 C 0.9235(3) 0.9273(3) -0.0577(2) 0.0381(8) Uani 1 1 d . . . . .
H42 H 0.987414 0.949525 -0.098597 0.046 Uiso 1 1 calc R . . . .
C43 C 0.9162(3) 0.8203(3) -0.06676(19) 0.0300(6) Uani 1 1 d . . . . .
H43 H 0.976885 0.769954 -0.113162 0.036 Uiso 1 1 calc R . . . .
C44 C 0.8195(3) 0.7880(2) -0.00735(17) 0.0250(6) Uani 1 1 d . . . . .
H44 H 0.813628 0.716674 -0.014809 0.030 Uiso 1 1 calc R . . . .
C45 C 0.5481(4) 0.6322(5) 0.2627(3) 0.0277(10) Uani 0.540(3) 1 d D . P A 1
C45A C 0.5897(7) 0.7834(5) 0.3274(3) 0.0277(10) Uani 0.460(3) 1 d D . P A 2


_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 H 1.45(6) . ?
Ru1 HA 1.48(7) . ?
Ru1 P1 2.3534(7) . ?
Ru1 P2 2.3664(7) . ?
Ru1 N1 2.144(2) . ?
Ru1 N2 2.174(2) . ?
Ru1 C45 1.905(4) . ?
Ru1 C45A 1.885(5) . ?
P1 C9 1.831(3) . ?
P1 C15 1.836(3) . ?
P1 C21 1.841(3) . ?
P2 C27 1.837(3) . ?
P2 C33 1.833(3) . ?
P2 C39 1.839(3) . ?
O1 C1 1.235(3) . ?
O2 C45 1.161(2) . ?
O2A C45A 1.160(2) . ?
N1 C1 1.410(4) . ?
N1 C3 1.378(3) . ?
N2 C4 1.359(4) . ?
N2 C8 1.338(4) . ?
C1 C2 1.460(4) 2_765 ?
C2 C2 1.401(6) 2_765 ?
C2 C3 1.388(4) . ?
C3 C4 1.441(4) . ?
C4 C5 1.391(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.374(4) . ?
C6 H6 0.9300 . ?
C6 C7 1.387(4) . ?
C7 H7 0.9300 . ?
C7 C8 1.384(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.390(4) . ?
C9 C14 1.395(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.387(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.367(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.380(5) . ?
C13 H13 0.9300 . ?
C13 C14 1.386(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.391(4) . ?
C15 C20 1.385(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.390(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.369(5) . ?
C18 H18 0.9300 . ?
C18 C19 1.380(5) . ?
C19 H19 0.9300 . ?
C19 C20 1.390(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.391(4) . ?
C21 C26 1.381(4) . ?
C22 H22 0.9300 . ?
C22 C23 1.384(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.369(6) . ?
C24 H24 0.9300 . ?
C24 C25 1.374(5) . ?
C25 H25 0.9300 . ?
C25 C26 1.394(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.386(5) . ?
C27 C32 1.389(4) . ?
C28 H28 0.9300 . ?
C28 C29 1.385(5) . ?
C29 H29 0.9300 . ?
C29 C30 1.373(5) . ?
C30 H30 0.9300 . ?
C30 C31 1.365(5) . ?
C31 H31 0.9300 . ?
C31 C32 1.388(4) . ?
C32 H32 0.9300 . ?
C33 C34 1.387(4) . ?
C33 C38 1.399(4) . ?
C34 H34 0.9300 . ?
C34 C35 1.387(4) . ?
C35 H35 0.9300 . ?
C35 C36 1.376(4) . ?
C36 H36 0.9300 . ?
C36 C37 1.384(4) . ?
C37 H37 0.9300 . ?
C37 C38 1.382(4) . ?
C38 H38 0.9300 . ?
C39 C40 1.394(4) . ?
C39 C44 1.400(4) . ?
C40 H40 0.9300 . ?
C40 C41 1.380(5) . ?
C41 H41 0.9300 . ?
C41 C42 1.372(5) . ?
C42 H42 0.9300 . ?
C42 C43 1.384(4) . ?
C43 H43 0.9300 . ?
C43 C44 1.378(4) . ?
C44 H44 0.9300 . ?

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 H 100(3) . . ?
P1 Ru1 HA 107(3) . . ?
P1 Ru1 P2 175.73(2) . . ?
P2 Ru1 H 85(3) . . ?
P2 Ru1 HA 73(3) . . ?
N1 Ru1 H 167(3) . . ?
N1 Ru1 HA 100(3) . . ?
N1 Ru1 P1 87.84(6) . . ?
N1 Ru1 P2 88.00(6) . . ?
N1 Ru1 N2 76.45(9) . . ?
N2 Ru1 H 92(3) . . ?
N2 Ru1 HA 163(3) . . ?
N2 Ru1 P1 90.24(6) . . ?
N2 Ru1 P2 89.73(6) . . ?
C45 Ru1 H 86(3) . . ?
C45 Ru1 P1 87.35(17) . . ?
C45 Ru1 P2 92.85(17) . . ?
C45 Ru1 N1 105.88(18) . . ?
C45 Ru1 N2 176.58(17) . . ?
C45A Ru1 HA 85(3) . . ?
C45A Ru1 P1 92.2(2) . . ?
C45A Ru1 P2 92.0(2) . . ?
C45A Ru1 N1 174.5(2) . . ?
C45A Ru1 N2 98.0(2) . . ?
C9 P1 Ru1 111.95(9) . . ?
C9 P1 C15 105.14(12) . . ?
C9 P1 C21 101.83(13) . . ?
C15 P1 Ru1 118.15(9) . . ?
C15 P1 C21 100.07(13) . . ?
C21 P1 Ru1 117.62(10) . . ?
C27 P2 Ru1 117.13(10) . . ?
C27 P2 C39 102.65(14) . . ?
C33 P2 Ru1 118.51(9) . . ?
C33 P2 C27 103.89(13) . . ?
C33 P2 C39 99.57(12) . . ?
C39 P2 Ru1 112.57(9) . . ?
C1 N1 Ru1 137.03(18) . . ?
C3 N1 Ru1 114.38(18) . . ?
C3 N1 C1 108.6(2) . . ?
C4 N2 Ru1 115.65(19) . . ?
C8 N2 Ru1 126.55(19) . . ?
C8 N2 C4 117.8(2) . . ?
O1 C1 N1 124.1(2) . . ?
O1 C1 C2 130.5(3) . 2_765 ?
N1 C1 C2 105.4(2) . 2_765 ?
C2 C2 C1 108.4(3) 2_765 2_765 ?
C3 C2 C1 144.8(3) . 2_765 ?
C3 C2 C2 106.8(3) . 2_765 ?
N1 C3 C2 110.8(2) . . ?
N1 C3 C4 118.1(2) . . ?
C2 C3 C4 131.0(3) . . ?
N2 C4 C3 115.3(2) . . ?
N2 C4 C5 122.1(3) . . ?
C5 C4 C3 122.6(2) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 C4 119.1(3) . . ?
C6 C5 H5 120.4 . . ?
C5 C6 H6 120.4 . . ?
C5 C6 C7 119.2(3) . . ?
C7 C6 H6 120.4 . . ?
C6 C7 H7 120.6 . . ?
C8 C7 C6 118.7(3) . . ?
C8 C7 H7 120.6 . . ?
N2 C8 C7 123.0(3) . . ?
N2 C8 H8 118.5 . . ?
C7 C8 H8 118.5 . . ?
C10 C9 P1 120.5(2) . . ?
C10 C9 C14 118.2(3) . . ?
C14 C9 P1 120.8(2) . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.8(3) . . ?
C11 C10 H10 119.6 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.3(3) . . ?
C12 C11 H11 119.9 . . ?
C11 C12 H12 120.0 . . ?
C11 C12 C13 120.0(3) . . ?
C13 C12 H12 120.0 . . ?
C12 C13 H13 120.0 . . ?
C12 C13 C14 120.1(3) . . ?
C14 C13 H13 120.0 . . ?
C9 C14 H14 119.7 . . ?
C13 C14 C9 120.6(3) . . ?
C13 C14 H14 119.7 . . ?
C16 C15 P1 124.3(2) . . ?
C20 C15 P1 117.1(2) . . ?
C20 C15 C16 118.5(3) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.2(3) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 119.5 . . ?
C18 C17 C16 121.0(3) . . ?
C18 C17 H17 119.5 . . ?
C17 C18 H18 120.4 . . ?
C17 C18 C19 119.3(3) . . ?
C19 C18 H18 120.4 . . ?
C18 C19 H19 119.8 . . ?
C18 C19 C20 120.3(3) . . ?
C20 C19 H19 119.8 . . ?
C15 C20 C19 120.7(3) . . ?
C15 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C22 C21 P1 119.8(2) . . ?
C26 C21 P1 121.8(2) . . ?
C26 C21 C22 118.5(3) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 C21 120.6(3) . . ?
C23 C22 H22 119.7 . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.6(4) . . ?
C24 C23 H23 119.7 . . ?
C23 C24 H24 120.3 . . ?
C23 C24 C25 119.5(3) . . ?
C25 C24 H24 120.3 . . ?
C24 C25 H25 119.8 . . ?
C24 C25 C26 120.4(3) . . ?
C26 C25 H25 119.8 . . ?
C21 C26 C25 120.5(3) . . ?
C21 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C28 C27 P2 118.6(2) . . ?
C28 C27 C32 117.9(3) . . ?
C32 C27 P2 123.4(2) . . ?
C27 C28 H28 119.2 . . ?
C29 C28 C27 121.6(3) . . ?
C29 C28 H28 119.2 . . ?
C28 C29 H29 120.2 . . ?
C30 C29 C28 119.6(4) . . ?
C30 C29 H29 120.2 . . ?
C29 C30 H30 120.1 . . ?
C31 C30 C29 119.8(3) . . ?
C31 C30 H30 120.1 . . ?
C30 C31 H31 119.5 . . ?
C30 C31 C32 121.0(3) . . ?
C32 C31 H31 119.5 . . ?
C27 C32 H32 119.9 . . ?
C31 C32 C27 120.1(3) . . ?
C31 C32 H32 119.9 . . ?
C34 C33 P2 121.1(2) . . ?
C34 C33 C38 118.7(3) . . ?
C38 C33 P2 120.2(2) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 C33 120.2(3) . . ?
C35 C34 H34 119.9 . . ?
C34 C35 H35 119.6 . . ?
C36 C35 C34 120.9(3) . . ?
C36 C35 H35 119.6 . . ?
C35 C36 H36 120.3 . . ?
C35 C36 C37 119.3(3) . . ?
C37 C36 H36 120.3 . . ?
C36 C37 H37 119.8 . . ?
C38 C37 C36 120.5(3) . . ?
C38 C37 H37 119.8 . . ?
C33 C38 H38 119.8 . . ?
C37 C38 C33 120.4(3) . . ?
C37 C38 H38 119.8 . . ?
C40 C39 P2 122.8(2) . . ?
C40 C39 C44 118.2(3) . . ?
C44 C39 P2 119.0(2) . . ?
C39 C40 H40 119.7 . . ?
C41 C40 C39 120.7(3) . . ?
C41 C40 H40 119.7 . . ?
C40 C41 H41 119.7 . . ?
C42 C41 C40 120.5(3) . . ?
C42 C41 H41 119.7 . . ?
C41 C42 H42 120.1 . . ?
C41 C42 C43 119.7(3) . . ?
C43 C42 H42 120.1 . . ?
C42 C43 H43 119.9 . . ?
C44 C43 C42 120.3(3) . . ?
C44 C43 H43 119.9 . . ?
C39 C44 H44 119.7 . . ?
C43 C44 C39 120.6(3) . . ?
C43 C44 H44 119.7 . . ?
O2 C45 Ru1 174.1(5) . . ?
O2A C45A Ru1 176.3(7) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 P1 C9 C10 -94.6(2) . . . . ?
Ru1 P1 C9 C14 77.6(2) . . . . ?
Ru1 P1 C15 C16 -135.4(2) . . . . ?
Ru1 P1 C15 C20 48.3(3) . . . . ?
Ru1 P1 C21 C22 177.6(2) . . . . ?
Ru1 P1 C21 C26 -3.1(3) . . . . ?
Ru1 P2 C27 C28 43.0(3) . . . . ?
Ru1 P2 C27 C32 -139.3(2) . . . . ?
Ru1 P2 C33 C34 26.0(3) . . . . ?
Ru1 P2 C33 C38 -153.62(19) . . . . ?
Ru1 P2 C39 C40 -104.1(2) . . . . ?
Ru1 P2 C39 C44 74.7(2) . . . . ?
Ru1 N1 C1 O1 0.3(4) . . . . ?
Ru1 N1 C1 C2 179.45(19) . . . 2_765 ?
Ru1 N1 C3 C2 179.98(17) . . . . ?
Ru1 N1 C3 C4 -3.1(3) . . . . ?
Ru1 N2 C4 C3 2.0(3) . . . . ?
Ru1 N2 C4 C5 -178.9(2) . . . . ?
Ru1 N2 C8 C7 178.7(2) . . . . ?
P1 C9 C10 C11 173.9(2) . . . . ?
P1 C9 C14 C13 -174.0(2) . . . . ?
P1 C15 C16 C17 -177.4(3) . . . . ?
P1 C15 C20 C19 176.8(3) . . . . ?
P1 C21 C22 C23 179.2(3) . . . . ?
P1 C21 C26 C25 -179.1(2) . . . . ?
P2 C27 C28 C29 177.1(4) . . . . ?
P2 C27 C32 C31 -178.1(3) . . . . ?
P2 C33 C34 C35 -179.8(2) . . . . ?
P2 C33 C38 C37 178.3(2) . . . . ?
P2 C39 C40 C41 -179.0(2) . . . . ?
P2 C39 C44 C43 -179.0(2) . . . . ?
N1 C3 C4 N2 0.8(3) . . . . ?
N1 C3 C4 C5 -178.4(2) . . . . ?
N2 C4 C5 C6 0.1(4) . . . . ?
C1 N1 C3 C2 -1.4(3) . . . . ?
C1 N1 C3 C4 175.5(2) . . . . ?
C1 C2 C3 N1 -179.2(4) 2_765 . . . ?
C1 C2 C3 C4 4.5(6) 2_765 . . . ?
C2 C2 C3 N1 0.9(4) 2_765 . . . ?
C2 C2 C3 C4 -175.5(3) 2_765 . . . ?
C2 C3 C4 N2 176.9(3) . . . . ?
C2 C3 C4 C5 -2.3(4) . . . . ?
C3 N1 C1 O1 -177.9(2) . . . . ?
C3 N1 C1 C2 1.3(3) . . . 2_765 ?
C3 C4 C5 C6 179.2(3) . . . . ?
C4 N2 C8 C7 -0.4(4) . . . . ?
C4 C5 C6 C7 -0.5(4) . . . . ?
C5 C6 C7 C8 0.4(4) . . . . ?
C6 C7 C8 N2 0.1(5) . . . . ?
C8 N2 C4 C3 -178.9(2) . . . . ?
C8 N2 C4 C5 0.3(4) . . . . ?
C9 P1 C15 C16 -9.7(3) . . . . ?
C9 P1 C15 C20 174.1(2) . . . . ?
C9 P1 C21 C22 54.9(3) . . . . ?
C9 P1 C21 C26 -125.8(2) . . . . ?
C9 C10 C11 C12 -0.3(5) . . . . ?
C10 C9 C14 C13 -1.6(4) . . . . ?
C10 C11 C12 C13 -0.7(5) . . . . ?
C11 C12 C13 C14 0.5(5) . . . . ?
C12 C13 C14 C9 0.7(4) . . . . ?
C14 C9 C10 C11 1.4(4) . . . . ?
C15 P1 C9 C10 135.9(2) . . . . ?
C15 P1 C9 C14 -51.9(2) . . . . ?
C15 P1 C21 C22 -53.0(3) . . . . ?
C15 P1 C21 C26 126.2(2) . . . . ?
C15 C16 C17 C18 1.3(5) . . . . ?
C16 C15 C20 C19 0.3(5) . . . . ?
C16 C17 C18 C19 -0.5(5) . . . . ?
C17 C18 C19 C20 -0.4(5) . . . . ?
C18 C19 C20 C15 0.5(5) . . . . ?
C20 C15 C16 C17 -1.2(5) . . . . ?
C21 P1 C9 C10 31.9(3) . . . . ?
C21 P1 C9 C14 -155.9(2) . . . . ?
C21 P1 C15 C16 95.6(3) . . . . ?
C21 P1 C15 C20 -80.6(3) . . . . ?
C21 C22 C23 C24 -0.3(6) . . . . ?
C22 C21 C26 C25 0.2(5) . . . . ?
C22 C23 C24 C25 0.6(6) . . . . ?
C23 C24 C25 C26 -0.5(5) . . . . ?
C24 C25 C26 C21 0.1(5) . . . . ?
C26 C21 C22 C23 -0.1(5) . . . . ?
C27 P2 C33 C34 -106.0(2) . . . . ?
C27 P2 C33 C38 74.4(2) . . . . ?
C27 P2 C39 C40 22.8(3) . . . . ?
C27 P2 C39 C44 -158.4(2) . . . . ?
C27 C28 C29 C30 1.9(8) . . . . ?
C28 C27 C32 C31 -0.4(5) . . . . ?
C28 C29 C30 C31 -1.8(7) . . . . ?
C29 C30 C31 C32 0.6(6) . . . . ?
C30 C31 C32 C27 0.5(5) . . . . ?
C32 C27 C28 C29 -0.8(6) . . . . ?
C33 P2 C27 C28 175.7(3) . . . . ?
C33 P2 C27 C32 -6.5(3) . . . . ?
C33 P2 C39 C40 129.5(2) . . . . ?
C33 P2 C39 C44 -51.7(2) . . . . ?
C33 C34 C35 C36 1.7(4) . . . . ?
C34 C33 C38 C37 -1.3(4) . . . . ?
C34 C35 C36 C37 -1.8(4) . . . . ?
C35 C36 C37 C38 0.4(4) . . . . ?
C36 C37 C38 C33 1.2(4) . . . . ?
C38 C33 C34 C35 -0.1(4) . . . . ?
C39 P2 C27 C28 -80.9(3) . . . . ?
C39 P2 C27 C32 96.8(3) . . . . ?
C39 P2 C33 C34 148.3(2) . . . . ?
C39 P2 C33 C38 -31.3(2) . . . . ?
C39 C40 C41 C42 -2.4(5) . . . . ?
C40 C39 C44 C43 -0.1(4) . . . . ?
C40 C41 C42 C43 0.5(5) . . . . ?
C41 C42 C43 C44 1.7(5) . . . . ?
C42 C43 C44 C39 -1.9(4) . . . . ?
C44 C39 C40 C41 2.2(4) . . . . ?

_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_1
_database_code_depnum_ccdc_archive 'CCDC 1854452'
_audit_update_record             
;
2018-09-13 deposited with the CCDC.
2018-09-14 downloaded from the CCDC.
;
_audit_creation_date             2018-09-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C90 H70 N4 O4 P4 Ru2'
_chemical_formula_sum            'C90 H70 N4 O4 P4 Ru2'
_chemical_formula_weight         1597.52
_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'
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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.5994(3)
_cell_length_b                   12.0532(4)
_cell_length_c                   16.8855(4)
_cell_angle_alpha                101.756(2)
_cell_angle_beta                 104.220(2)
_cell_angle_gamma                101.333(3)
_cell_volume                     1976.97(10)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    8859
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.9800
_cell_measurement_theta_min      1.9230
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.516
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83660
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             818
_exptl_crystal_size_max          0.179
_exptl_crystal_size_mid          0.082
_exptl_crystal_size_min          0.055
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_exptl_special_details           SQUEZEE
_diffrn_reflns_av_R_equivalents  0.0819
_diffrn_reflns_av_unetI/netI     0.0910
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20723
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.346
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5408
_reflns_number_total             6960
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.

For the modelleing of disordered cordinated CO molecules PART was applied
 and occupany of the two fragments are 49% and 50% respectively. EADP was applied to model CO atoms. 

The position of the hydride coordinated to metal was located and its coordinates were refined using riding model 
while its isotropic thermal parameter was constrained to 1.2Ueq(Ru). All other hydrogen atoms were refined as per riding model.
DFIX and FREE were applied to the hydride coordinated to metal.

 The diffused electron density of the solvent molecules is not allowed us to model
these solvent molecules, hence SQUZZEE routine was employed to calculate the
solvent Void volume (237 A^3) and the total number of electron (80) in this void space.

 This void electrons are tentatively assigned for 1.9 molecules dichloromethane solvent
molecules in one unit cell.

 The loop created in PLATON is appended at the end of cif file.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.1 b28'
_computing_data_collection       'CrystalClear-SM Expert 2.1 b28 (Rigaku, 2013)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b28'
_computing_molecular_graphics    ORTEP-3
_computing_publication_material  ORTEP-3
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_refine_diff_density_max         2.234
_refine_diff_density_min         -0.641
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     482
_refine_ls_number_reflns         6960
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0821
_refine_ls_R_factor_gt           0.0618
_refine_ls_restrained_S_all      1.090
_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)+(0.0273P)²+6.2864P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1254
_refine_ls_wR_factor_ref         0.1369
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H) groups
2. Restrained distances
 HA-Ru1
 1.5 with sigma of 0.02
 Ru1-H
 1.5 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C45) = Uanis(C45A)
Uanis(O2) = Uanis(O2A)
4. Others
 Sof(C45A)=Sof(O2A)=Sof(HA)=1-FVAR(1)
 Sof(C45)=Sof(O2)=Sof(H)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C38(H38), C20(H20), C6(H6), C42(H42), C19(H19), C37(H37), C16(H16), C5(H5),
 C43(H43), C44(H44), C10(H10), C7(H7), C8(H8), C22(H22), C11(H11), C35(H35),
 C41(H41), C26(H26), C14(H14), C40(H40), C18(H18), C25(H25), C24(H24), C12(H12),
  C13(H13), C23(H23), C34(H34), C17(H17), C36(H36), C32(H32), C28(H28),
 C31(H31), C30(H30), C29(H29)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.63763(4) 0.67632(4) 0.76504(3) 0.01958(14) Uani 1 1 d D . . . .
P1 P 0.60684(14) 0.49134(11) 0.79500(8) 0.0200(3) Uani 1 1 d . . . . .
P2 P 0.65766(14) 0.85694(11) 0.72978(8) 0.0216(3) Uani 1 1 d . . . . .
O1 O 0.6887(4) 0.4391(3) 0.4048(2) 0.0255(9) Uani 1 1 d . . . . .
N1 N 0.5473(4) 0.5879(4) 0.6339(3) 0.0221(10) Uani 1 1 d . . . . .
C3 C 0.6354(5) 0.5593(4) 0.5908(3) 0.0219(12) Uani 1 1 d . . . . .
C2 C 0.5679(5) 0.5029(4) 0.5051(3) 0.0202(11) Uani 1 1 d . . . . .
N2 N 0.8086(4) 0.6475(3) 0.7210(3) 0.0216(10) Uani 1 1 d . . . . .
C38 C 0.6975(6) 0.8081(5) 0.5707(3) 0.0261(13) Uani 1 1 d . . . . .
H38 H 0.606944 0.767535 0.552961 0.031 Uiso 1 1 calc R . . . .
C20 C 0.4178(6) 0.2766(5) 0.7618(3) 0.0284(13) Uani 1 1 d . . . . .
H20 H 0.492208 0.248015 0.779683 0.034 Uiso 1 1 calc R . . . .
C15 C 0.4366(5) 0.3954(4) 0.7624(3) 0.0211(12) Uani 1 1 d . . . . .
C1 C 0.5849(5) 0.4514(4) 0.4240(3) 0.0211(12) Uani 1 1 d . . . . .
C4 C 0.7782(5) 0.5905(4) 0.6374(3) 0.0215(12) Uani 1 1 d . . . . .
C6 C 1.0083(6) 0.5958(5) 0.6483(4) 0.0298(13) Uani 1 1 d . . . . .
H6 H 1.074817 0.578495 0.624489 0.036 Uiso 1 1 calc R . . . .
C39 C 0.5061(6) 0.8894(4) 0.6701(3) 0.0250(12) Uani 1 1 d . . . . .
C42 C 0.2812(6) 0.9415(5) 0.5754(3) 0.0315(14) Uani 1 1 d . . . . .
H42 H 0.205905 0.958236 0.543494 0.038 Uiso 1 1 calc R . . . .
C19 C 0.2891(6) 0.2013(5) 0.7349(4) 0.0305(14) Uani 1 1 d . . . . .
H19 H 0.277215 0.122788 0.735003 0.037 Uiso 1 1 calc R . . . .
C37 C 0.7683(6) 0.8047(5) 0.5124(4) 0.0314(14) Uani 1 1 d . . . . .
H37 H 0.725877 0.761555 0.456446 0.038 Uiso 1 1 calc R . . . .
C21 C 0.6760(6) 0.4950(4) 0.9071(3) 0.0253(13) Uani 1 1 d . . . . .
C16 C 0.3248(5) 0.4348(5) 0.7335(3) 0.0241(12) Uani 1 1 d . . . . .
H16 H 0.335733 0.512802 0.732186 0.029 Uiso 1 1 calc R . . . .
C5 C 0.8755(6) 0.5643(4) 0.6000(3) 0.0269(13) Uani 1 1 d . . . . .
H5 H 0.851035 0.525643 0.542761 0.032 Uiso 1 1 calc R . . . .
C43 C 0.2655(6) 0.8493(5) 0.6132(4) 0.0328(14) Uani 1 1 d . . . . .
H43 H 0.179628 0.804648 0.606654 0.039 Uiso 1 1 calc R . . . .
C44 C 0.3777(6) 0.8238(5) 0.6604(3) 0.0298(13) Uani 1 1 d . . . . .
H44 H 0.366653 0.762301 0.685711 0.036 Uiso 1 1 calc R . . . .
C33 C 0.7572(6) 0.8704(4) 0.6555(3) 0.0237(12) Uani 1 1 d . . . . .
C10 C 0.6280(6) 0.3389(4) 0.6532(3) 0.0267(13) Uani 1 1 d . . . . .
H10 H 0.548354 0.353873 0.625515 0.032 Uiso 1 1 calc R . . . .
C7 C 1.0410(6) 0.6547(5) 0.7342(4) 0.0291(13) Uani 1 1 d . . . . .
H7 H 1.129929 0.677275 0.768513 0.035 Uiso 1 1 calc R . . . .
C8 C 0.9396(5) 0.6785(4) 0.7670(3) 0.0255(13) Uani 1 1 d . . . . .
H8 H 0.962654 0.718074 0.823984 0.031 Uiso 1 1 calc R . . . .
C22 C 0.6044(6) 0.4355(5) 0.9505(3) 0.0309(14) Uani 1 1 d . . . . .
H22 H 0.515896 0.391757 0.922989 0.037 Uiso 1 1 calc R . . . .
C11 C 0.6865(6) 0.2655(5) 0.6077(4) 0.0293(13) Uani 1 1 d . . . . .
H11 H 0.645578 0.231721 0.549965 0.035 Uiso 1 1 calc R . . . .
C9 C 0.6868(5) 0.3903(4) 0.7397(3) 0.0208(11) Uani 1 1 d . . . . .
C35 C 0.9642(6) 0.9304(5) 0.6205(4) 0.0368(15) Uani 1 1 d . . . . .
H35 H 1.053742 0.973262 0.636764 0.044 Uiso 1 1 calc R . . . .
C41 C 0.4089(6) 1.0081(5) 0.5854(3) 0.0312(14) Uani 1 1 d . . . . .
H41 H 0.419765 1.070328 0.560798 0.037 Uiso 1 1 calc R . . . .
C26 C 0.8071(6) 0.5609(5) 0.9492(4) 0.0363(15) Uani 1 1 d . . . . .
H26 H 0.855422 0.603609 0.921213 0.044 Uiso 1 1 calc R . . . .
C14 C 0.8048(6) 0.3671(5) 0.7797(4) 0.0340(14) Uani 1 1 d . . . . .
H14 H 0.846552 0.402267 0.837130 0.041 Uiso 1 1 calc R . . . .
C40 C 0.5203(6) 0.9818(5) 0.6321(3) 0.0285(13) Uani 1 1 d . . . . .
H40 H 0.606104 1.026327 0.638348 0.034 Uiso 1 1 calc R . . . .
C18 C 0.1786(6) 0.2443(5) 0.7080(3) 0.0289(13) Uani 1 1 d . . . . .
H18 H 0.092266 0.194553 0.690988 0.035 Uiso 1 1 calc R . . . .
C25 C 0.8670(7) 0.5636(6) 1.0327(4) 0.0469(18) Uani 1 1 d . . . . .
H25 H 0.956205 0.605719 1.059673 0.056 Uiso 1 1 calc R . . . .
C24 C 0.7954(7) 0.5048(6) 1.0758(4) 0.0437(17) Uani 1 1 d . . . . .
H24 H 0.835532 0.508100 1.132067 0.052 Uiso 1 1 calc R . . . .
C12 C 0.8041(6) 0.2425(5) 0.6474(4) 0.0371(15) Uani 1 1 d . . . . .
H12 H 0.844594 0.195119 0.616596 0.045 Uiso 1 1 calc R . . . .
C13 C 0.8623(7) 0.2910(6) 0.7344(4) 0.0466(17) Uani 1 1 d . . . . .
H13 H 0.939482 0.272688 0.762468 0.056 Uiso 1 1 calc R . . . .
C23 C 0.6629(7) 0.4401(5) 1.0352(4) 0.0411(16) Uani 1 1 d . . . . .
H23 H 0.613566 0.400257 1.064180 0.049 Uiso 1 1 calc R . . . .
C34 C 0.8939(6) 0.9327(5) 0.6805(4) 0.0301(13) Uani 1 1 d . . . . .
H34 H 0.937022 0.975165 0.736541 0.036 Uiso 1 1 calc R . . . .
C27 C 0.7340(6) 0.9887(4) 0.8200(3) 0.0293(14) Uani 1 1 d . . . . .
C17 C 0.1950(6) 0.3590(5) 0.7062(3) 0.0303(13) Uani 1 1 d . . . . .
H17 H 0.120262 0.386648 0.686945 0.036 Uiso 1 1 calc R . . . .
C36 C 0.9029(6) 0.8656(5) 0.5372(4) 0.0329(14) Uani 1 1 d . . . . .
H36 H 0.951628 0.862910 0.498197 0.040 Uiso 1 1 calc R . . . .
C32 C 0.8605(6) 1.0005(5) 0.8744(4) 0.0407(16) Uani 1 1 d . . . . .
H32 H 0.906255 0.943107 0.864738 0.049 Uiso 1 1 calc R . . . .
C28 C 0.6656(8) 1.0722(5) 0.8379(4) 0.057(2) Uani 1 1 d . . . . .
H28 H 0.579725 1.064405 0.802936 0.069 Uiso 1 1 calc R . . . .
C31 C 0.9189(8) 1.0993(7) 0.9438(4) 0.057(2) Uani 1 1 d . . . . .
H31 H 1.004913 1.108660 0.979151 0.069 Uiso 1 1 calc R . . . .
C30 C 0.8500(10) 1.1825(6) 0.9601(4) 0.069(3) Uani 1 1 d . . . . .
H30 H 0.888769 1.248029 1.006249 0.083 Uiso 1 1 calc R . . . .
C29 C 0.7253(10) 1.1679(6) 0.9082(5) 0.075(3) Uani 1 1 d . . . . .
H29 H 0.678134 1.223574 0.919823 0.091 Uiso 1 1 calc R . . . .
C45 C 0.7059(14) 0.7491(11) 0.8795(7) 0.029(2) Uani 0.494(5) 1 d . . P A 1
O2 O 0.7419(9) 0.7950(7) 0.9519(5) 0.0416(15) Uani 0.494(5) 1 d . . P A 1
H H 0.507(7) 0.675(12) 0.786(9) 0.050 Uiso 0.494(5) 1 d DR . P A 1
C45A C 0.5098(13) 0.7142(10) 0.8127(7) 0.029(2) Uani 0.506(5) 1 d . . P A 2
O2A O 0.4340(9) 0.7405(7) 0.8491(5) 0.0416(15) Uani 0.506(5) 1 d . . P A 2
HA H 0.711(14) 0.756(10) 0.851(4) 0.050 Uiso 0.506(5) 1 d DR . P A 2


_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 P1 2.3638(14) . ?
Ru1 P2 2.3554(14) . ?
Ru1 N1 2.134(4) . ?
Ru1 N2 2.183(5) . ?
Ru1 C45 1.844(12) . ?
Ru1 H 1.51(2) . ?
Ru1 C45A 1.823(13) . ?
Ru1 HA 1.50(2) . ?
P1 C15 1.825(5) . ?
P1 C21 1.843(5) . ?
P1 C9 1.845(5) . ?
P2 C39 1.833(5) . ?
P2 C33 1.839(6) . ?
P2 C27 1.844(6) . ?
O1 C1 1.248(6) . ?
N1 C3 1.370(7) . ?
N1 C1 1.422(6) 2_666 ?
C3 C2 1.403(7) . ?
C3 C4 1.456(7) . ?
C2 C2 1.394(10) 2_666 ?
C2 C1 1.452(7) . ?
N2 C4 1.364(6) . ?
N2 C8 1.349(6) . ?
C38 H38 0.9300 . ?
C38 C37 1.375(8) . ?
C38 C33 1.395(7) . ?
C20 H20 0.9300 . ?
C20 C15 1.403(7) . ?
C20 C19 1.390(8) . ?
C15 C16 1.378(7) . ?
C4 C5 1.389(8) . ?
C6 H6 0.9300 . ?
C6 C5 1.374(8) . ?
C6 C7 1.402(8) . ?
C39 C44 1.386(8) . ?
C39 C40 1.395(7) . ?
C42 H42 0.9300 . ?
C42 C43 1.392(8) . ?
C42 C41 1.382(8) . ?
C19 H19 0.9300 . ?
C19 C18 1.385(8) . ?
C37 H37 0.9300 . ?
C37 C36 1.386(8) . ?
C21 C22 1.378(8) . ?
C21 C26 1.385(8) . ?
C16 H16 0.9300 . ?
C16 C17 1.402(7) . ?
C5 H5 0.9300 . ?
C43 H43 0.9300 . ?
C43 C44 1.386(8) . ?
C44 H44 0.9300 . ?
C33 C34 1.409(8) . ?
C10 H10 0.9300 . ?
C10 C11 1.389(8) . ?
C10 C9 1.391(7) . ?
C7 H7 0.9300 . ?
C7 C8 1.376(8) . ?
C8 H8 0.9300 . ?
C22 H22 0.9300 . ?
C22 C23 1.398(8) . ?
C11 H11 0.9300 . ?
C11 C12 1.372(8) . ?
C9 C14 1.378(7) . ?
C35 H35 0.9300 . ?
C35 C34 1.396(8) . ?
C35 C36 1.384(8) . ?
C41 H41 0.9300 . ?
C41 C40 1.382(8) . ?
C26 H26 0.9300 . ?
C26 C25 1.388(8) . ?
C14 H14 0.9300 . ?
C14 C13 1.400(8) . ?
C40 H40 0.9300 . ?
C18 H18 0.9300 . ?
C18 C17 1.367(8) . ?
C25 H25 0.9300 . ?
C25 C24 1.370(9) . ?
C24 H24 0.9300 . ?
C24 C23 1.389(9) . ?
C12 H12 0.9300 . ?
C12 C13 1.395(9) . ?
C13 H13 0.9300 . ?
C23 H23 0.9300 . ?
C34 H34 0.9300 . ?
C27 C32 1.389(8) . ?
C27 C28 1.379(9) . ?
C17 H17 0.9300 . ?
C36 H36 0.9300 . ?
C32 H32 0.9300 . ?
C32 C31 1.400(9) . ?
C28 H28 0.9300 . ?
C28 C29 1.388(9) . ?
C31 H31 0.9300 . ?
C31 C30 1.375(11) . ?
C30 H30 0.9300 . ?
C30 C29 1.350(11) . ?
C29 H29 0.9300 . ?
C45 O2 1.166(13) . ?
C45A O2A 1.178(14) . ?

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 H 83(5) . . ?
P1 Ru1 HA 101(5) . . ?
P2 Ru1 P1 177.08(5) . . ?
P2 Ru1 H 96(5) . . ?
P2 Ru1 HA 81(5) . . ?
N1 Ru1 P1 88.56(11) . . ?
N1 Ru1 P2 89.12(11) . . ?
N1 Ru1 N2 76.46(16) . . ?
N1 Ru1 H 96(5) . . ?
N1 Ru1 HA 170(5) . . ?
N2 Ru1 P1 90.09(11) . . ?
N2 Ru1 P2 91.09(11) . . ?
N2 Ru1 H 170(5) . . ?
N2 Ru1 HA 100(6) . . ?
C45 Ru1 P1 89.9(4) . . ?
C45 Ru1 P2 92.3(4) . . ?
C45 Ru1 N1 176.5(4) . . ?
C45 Ru1 N2 106.7(5) . . ?
C45 Ru1 H 81(5) . . ?
C45A Ru1 P1 92.4(4) . . ?
C45A Ru1 P2 86.7(4) . . ?
C45A Ru1 N1 110.1(4) . . ?
C45A Ru1 N2 173.0(4) . . ?
C45A Ru1 HA 73(6) . . ?
C15 P1 Ru1 118.74(17) . . ?
C15 P1 C21 104.5(2) . . ?
C15 P1 C9 98.6(2) . . ?
C21 P1 Ru1 115.29(17) . . ?
C21 P1 C9 103.3(2) . . ?
C9 P1 Ru1 114.07(16) . . ?
C39 P2 Ru1 119.00(18) . . ?
C39 P2 C33 98.5(2) . . ?
C39 P2 C27 103.1(2) . . ?
C33 P2 Ru1 112.56(17) . . ?
C33 P2 C27 106.2(3) . . ?
C27 P2 Ru1 115.43(17) . . ?
C3 N1 Ru1 115.0(3) . . ?
C3 N1 C1 108.2(4) . 2_666 ?
C1 N1 Ru1 136.8(4) 2_666 . ?
N1 C3 C2 111.2(5) . . ?
N1 C3 C4 118.3(4) . . ?
C2 C3 C4 130.5(5) . . ?
C3 C2 C1 144.6(5) . . ?
C2 C2 C3 106.0(6) 2_666 . ?
C2 C2 C1 109.4(5) 2_666 . ?
C4 N2 Ru1 115.7(3) . . ?
C8 N2 Ru1 127.4(4) . . ?
C8 N2 C4 116.9(5) . . ?
C37 C38 H38 119.0 . . ?
C37 C38 C33 122.1(5) . . ?
C33 C38 H38 119.0 . . ?
C15 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C19 C20 C15 120.7(5) . . ?
C20 C15 P1 119.9(4) . . ?
C16 C15 P1 121.6(4) . . ?
C16 C15 C20 118.5(5) . . ?
O1 C1 N1 124.4(4) . 2_666 ?
O1 C1 C2 130.4(5) . . ?
N1 C1 C2 105.2(4) 2_666 . ?
N2 C4 C3 114.5(5) . . ?
N2 C4 C5 122.7(5) . . ?
C5 C4 C3 122.8(5) . . ?
C5 C6 H6 120.8 . . ?
C5 C6 C7 118.4(5) . . ?
C7 C6 H6 120.8 . . ?
C44 C39 P2 122.0(4) . . ?
C44 C39 C40 118.8(5) . . ?
C40 C39 P2 119.1(4) . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C41 C42 C43 119.9(5) . . ?
C20 C19 H19 120.3 . . ?
C18 C19 C20 119.3(5) . . ?
C18 C19 H19 120.3 . . ?
C38 C37 H37 120.0 . . ?
C38 C37 C36 120.0(5) . . ?
C36 C37 H37 120.0 . . ?
C22 C21 P1 123.5(4) . . ?
C22 C21 C26 118.9(5) . . ?
C26 C21 P1 117.6(4) . . ?
C15 C16 H16 119.5 . . ?
C15 C16 C17 120.9(5) . . ?
C17 C16 H16 119.5 . . ?
C4 C5 H5 120.2 . . ?
C6 C5 C4 119.5(5) . . ?
C6 C5 H5 120.2 . . ?
C42 C43 H43 119.9 . . ?
C44 C43 C42 120.1(5) . . ?
C44 C43 H43 119.9 . . ?
C39 C44 C43 120.4(5) . . ?
C39 C44 H44 119.8 . . ?
C43 C44 H44 119.8 . . ?
C38 C33 P2 118.3(4) . . ?
C38 C33 C34 117.9(5) . . ?
C34 C33 P2 123.6(4) . . ?
C11 C10 H10 119.5 . . ?
C11 C10 C9 121.0(5) . . ?
C9 C10 H10 119.5 . . ?
C6 C7 H7 120.5 . . ?
C8 C7 C6 119.0(5) . . ?
C8 C7 H7 120.5 . . ?
N2 C8 C7 123.5(5) . . ?
N2 C8 H8 118.2 . . ?
C7 C8 H8 118.2 . . ?
C21 C22 H22 119.5 . . ?
C21 C22 C23 120.9(6) . . ?
C23 C22 H22 119.5 . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.4(5) . . ?
C12 C11 H11 119.8 . . ?
C10 C9 P1 118.5(4) . . ?
C14 C9 P1 122.8(4) . . ?
C14 C9 C10 118.7(5) . . ?
C34 C35 H35 119.4 . . ?
C36 C35 H35 119.4 . . ?
C36 C35 C34 121.2(6) . . ?
C42 C41 H41 120.2 . . ?
C40 C41 C42 119.7(5) . . ?
C40 C41 H41 120.2 . . ?
C21 C26 H26 119.7 . . ?
C21 C26 C25 120.5(6) . . ?
C25 C26 H26 119.7 . . ?
C9 C14 H14 119.8 . . ?
C9 C14 C13 120.5(5) . . ?
C13 C14 H14 119.8 . . ?
C39 C40 H40 119.5 . . ?
C41 C40 C39 121.1(5) . . ?
C41 C40 H40 119.5 . . ?
C19 C18 H18 119.6 . . ?
C17 C18 C19 120.8(5) . . ?
C17 C18 H18 119.6 . . ?
C26 C25 H25 119.8 . . ?
C24 C25 C26 120.4(6) . . ?
C24 C25 H25 119.8 . . ?
C25 C24 H24 120.0 . . ?
C25 C24 C23 119.9(6) . . ?
C23 C24 H24 120.0 . . ?
C11 C12 H12 120.4 . . ?
C11 C12 C13 119.2(6) . . ?
C13 C12 H12 120.4 . . ?
C14 C13 H13 119.9 . . ?
C12 C13 C14 120.1(6) . . ?
C12 C13 H13 119.9 . . ?
C22 C23 H23 120.3 . . ?
C24 C23 C22 119.3(6) . . ?
C24 C23 H23 120.3 . . ?
C33 C34 H34 120.2 . . ?
C35 C34 C33 119.5(5) . . ?
C35 C34 H34 120.2 . . ?
C32 C27 P2 119.1(5) . . ?
C28 C27 P2 121.8(5) . . ?
C28 C27 C32 119.0(6) . . ?
C16 C17 H17 120.2 . . ?
C18 C17 C16 119.7(5) . . ?
C18 C17 H17 120.2 . . ?
C37 C36 H36 120.4 . . ?
C35 C36 C37 119.3(6) . . ?
C35 C36 H36 120.4 . . ?
C27 C32 H32 120.2 . . ?
C27 C32 C31 119.7(7) . . ?
C31 C32 H32 120.2 . . ?
C27 C28 H28 120.1 . . ?
C27 C28 C29 119.8(7) . . ?
C29 C28 H28 120.1 . . ?
C32 C31 H31 119.8 . . ?
C30 C31 C32 120.5(7) . . ?
C30 C31 H31 119.8 . . ?
C31 C30 H30 120.4 . . ?
C29 C30 C31 119.2(7) . . ?
C29 C30 H30 120.4 . . ?
C28 C29 H29 119.1 . . ?
C30 C29 C28 121.8(8) . . ?
C30 C29 H29 119.1 . . ?
O2 C45 Ru1 176.3(13) . . ?
O2A C45A Ru1 175.2(10) . . ?

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 P1 C15 C20 165.8(4) . . . . ?
Ru1 P1 C15 C16 -10.6(5) . . . . ?
Ru1 P1 C21 C22 131.5(4) . . . . ?
Ru1 P1 C21 C26 -48.7(5) . . . . ?
Ru1 P1 C9 C10 -73.6(4) . . . . ?
Ru1 P1 C9 C14 103.9(4) . . . . ?
Ru1 P2 C39 C44 13.8(5) . . . . ?
Ru1 P2 C39 C40 -165.1(4) . . . . ?
Ru1 P2 C33 C38 75.1(4) . . . . ?
Ru1 P2 C33 C34 -99.7(4) . . . . ?
Ru1 P2 C27 C32 55.7(5) . . . . ?
Ru1 P2 C27 C28 -120.3(5) . . . . ?
Ru1 N1 C3 C2 -179.2(3) . . . . ?
Ru1 N1 C3 C4 0.3(6) . . . . ?
Ru1 N2 C4 C3 0.7(5) . . . . ?
Ru1 N2 C4 C5 -179.2(4) . . . . ?
Ru1 N2 C8 C7 178.7(4) . . . . ?
P1 C15 C16 C17 178.0(4) . . . . ?
P1 C21 C22 C23 179.0(4) . . . . ?
P1 C21 C26 C25 -177.5(5) . . . . ?
P1 C9 C14 C13 -179.1(5) . . . . ?
P2 C39 C44 C43 -178.5(4) . . . . ?
P2 C39 C40 C41 178.9(4) . . . . ?
P2 C33 C34 C35 175.0(4) . . . . ?
P2 C27 C32 C31 -179.1(5) . . . . ?
P2 C27 C28 C29 177.8(6) . . . . ?
N1 C3 C2 C2 0.2(7) . . . 2_666 ?
N1 C3 C2 C1 178.5(7) . . . . ?
N1 C3 C4 N2 -0.7(7) . . . . ?
N1 C3 C4 C5 179.2(4) . . . . ?
C3 C2 C1 O1 1.5(12) . . . . ?
C3 C2 C1 N1 -179.7(7) . . . 2_666 ?
C3 C4 C5 C6 -179.5(5) . . . . ?
C2 C3 C4 N2 178.8(5) . . . . ?
C2 C3 C4 C5 -1.4(8) . . . . ?
C2 C2 C1 O1 179.7(5) 2_666 . . . ?
C2 C2 C1 N1 -1.4(7) 2_666 . . 2_666 ?
N2 C4 C5 C6 0.3(8) . . . . ?
C38 C37 C36 C35 -0.7(8) . . . . ?
C38 C33 C34 C35 0.1(8) . . . . ?
C20 C15 C16 C17 1.5(8) . . . . ?
C20 C19 C18 C17 1.2(9) . . . . ?
C15 P1 C21 C22 -0.7(5) . . . . ?
C15 P1 C21 C26 179.0(4) . . . . ?
C15 P1 C9 C10 53.2(4) . . . . ?
C15 P1 C9 C14 -129.2(5) . . . . ?
C15 C20 C19 C18 0.3(8) . . . . ?
C15 C16 C17 C18 -0.1(8) . . . . ?
C1 N1 C3 C2 0.7(6) 2_666 . . . ?
C1 N1 C3 C4 -179.8(4) 2_666 . . . ?
C4 C3 C2 C2 -179.2(5) . . . 2_666 ?
C4 C3 C2 C1 -0.9(11) . . . . ?
C4 N2 C8 C7 -0.6(7) . . . . ?
C6 C7 C8 N2 0.5(8) . . . . ?
C39 P2 C33 C38 -51.2(4) . . . . ?
C39 P2 C33 C34 133.9(5) . . . . ?
C39 P2 C27 C32 -172.8(5) . . . . ?
C39 P2 C27 C28 11.2(6) . . . . ?
C42 C43 C44 C39 -0.3(9) . . . . ?
C42 C41 C40 C39 -0.5(9) . . . . ?
C19 C20 C15 P1 -178.2(4) . . . . ?
C19 C20 C15 C16 -1.7(8) . . . . ?
C19 C18 C17 C16 -1.3(9) . . . . ?
C37 C38 C33 P2 -174.1(4) . . . . ?
C37 C38 C33 C34 1.1(8) . . . . ?
C21 P1 C15 C20 -64.0(5) . . . . ?
C21 P1 C15 C16 119.6(4) . . . . ?
C21 P1 C9 C10 160.5(4) . . . . ?
C21 P1 C9 C14 -21.9(5) . . . . ?
C21 C22 C23 C24 -0.6(9) . . . . ?
C21 C26 C25 C24 -2.5(10) . . . . ?
C5 C6 C7 C8 0.1(8) . . . . ?
C43 C42 C41 C40 0.7(8) . . . . ?
C44 C39 C40 C41 0.0(8) . . . . ?
C33 P2 C39 C44 135.6(5) . . . . ?
C33 P2 C39 C40 -43.4(5) . . . . ?
C33 P2 C27 C32 -69.8(5) . . . . ?
C33 P2 C27 C28 114.2(6) . . . . ?
C33 C38 C37 C36 -0.8(8) . . . . ?
C10 C11 C12 C13 1.8(9) . . . . ?
C10 C9 C14 C13 -1.5(9) . . . . ?
C7 C6 C5 C4 -0.5(8) . . . . ?
C8 N2 C4 C3 -179.9(4) . . . . ?
C8 N2 C4 C5 0.2(7) . . . . ?
C22 C21 C26 C25 2.2(9) . . . . ?
C11 C10 C9 P1 177.7(4) . . . . ?
C11 C10 C9 C14 0.0(8) . . . . ?
C11 C12 C13 C14 -3.3(10) . . . . ?
C9 P1 C15 C20 42.2(5) . . . . ?
C9 P1 C15 C16 -134.2(4) . . . . ?
C9 P1 C21 C22 -103.3(5) . . . . ?
C9 P1 C21 C26 76.4(5) . . . . ?
C9 C10 C11 C12 -0.1(8) . . . . ?
C9 C14 C13 C12 3.2(10) . . . . ?
C41 C42 C43 C44 -0.3(9) . . . . ?
C26 C21 C22 C23 -0.7(8) . . . . ?
C26 C25 C24 C23 1.2(10) . . . . ?
C40 C39 C44 C43 0.5(8) . . . . ?
C25 C24 C23 C22 0.3(10) . . . . ?
C34 C35 C36 C37 1.9(9) . . . . ?
C27 P2 C39 C44 -115.5(5) . . . . ?
C27 P2 C39 C40 65.6(5) . . . . ?
C27 P2 C33 C38 -157.6(4) . . . . ?
C27 P2 C33 C34 27.5(5) . . . . ?
C27 C32 C31 C30 2.2(10) . . . . ?
C27 C28 C29 C30 0.3(13) . . . . ?
C36 C35 C34 C33 -1.6(9) . . . . ?
C32 C27 C28 C29 1.8(11) . . . . ?
C32 C31 C30 C29 -0.1(12) . . . . ?
C28 C27 C32 C31 -3.0(10) . . . . ?
C31 C30 C29 C28 -1.2(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
