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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
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# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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data_15lm_darkwa_gershon_ga017
_database_code_depnum_ccdc_archive 'CCDC 1412962'
_audit_update_record             
;
2015-07-15 deposited with the CCDC.
2016-08-09 downloaded from the CCDC.
;
_audit_creation_date             2015-07-15
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2014.11.03 svn.r3071 for OlexSys, GUI svn.r4932)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C35 H48 Cl2 N2 O P Ru'
_chemical_formula_sum            'C35 H48 Cl2 N2 O P Ru'
_chemical_formula_weight         715.69
_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'
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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'
'-x, -y, -z'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'
'x-1/2, y, -z-1/2'

_cell_length_a                   14.0661(19)
_cell_length_b                   17.902(2)
_cell_length_c                   28.165(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     7092.4(17)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    1017
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      18.25
_cell_measurement_theta_min      2.79
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.667
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       Plates
_exptl_crystal_F_000             2984
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.2976
_diffrn_reflns_av_unetI/netI     0.2324
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            47971
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.305
_diffrn_reflns_theta_min         1.978
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_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                3236
_reflns_number_total             8801
_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 v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         0.723
_refine_diff_density_min         -0.626
_refine_diff_density_rms         0.123
_refine_ls_extinction_coef       0.00081(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   0.954
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         8801
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2365
_refine_ls_R_factor_gt           0.0748
_refine_ls_restrained_S_all      0.954
_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)+(0.0602P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1332
_refine_ls_wR_factor_ref         0.1887
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C26(H26)
2.b Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C12(H12A,H12B)
2.c Aromatic/amide H refined with riding coordinates:
 C32(H32), C33(H33), C29(H29), C30(H30), C19(H19), C18(H18), C17(H17),
 C16(H16), C15(H15), C21(H21), C22(H22), C23(H23), C24(H24), C0AA(H0AA), N1(H1),
  C6(H6)
2.d Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C34(H34A,H34B,H34C), C10(H10A,H10B,
 H10C), C9(H9A,H9B,H9C), C1(H1A,H1B,H1C), C11(H11A,H11B,H11C), C2(H2A,H2B,H2C),
 C3(H3A,H3B,H3C)
;
_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 0.11070(4) 0.12957(3) 0.49034(2) 0.0329(2) Uani 1 1 d . . . . .
Cl1 Cl -0.05148(12) 0.15488(10) 0.51121(8) 0.0350(5) Uani 1 1 d . . . . .
Cl2 Cl 0.06354(13) 0.10253(10) 0.41037(8) 0.0378(5) Uani 1 1 d . . . . .
P1 P 0.11548(14) 0.25492(11) 0.47242(8) 0.0348(5) Uani 1 1 d . . . . .
O1 O 0.2111(3) 0.2807(3) 0.4450(2) 0.0402(14) Uani 1 1 d . . . . .
C31 C 0.2499(6) 0.0720(4) 0.4787(3) 0.048(3) Uani 1 1 d . . . . .
C32 C 0.2600(5) 0.1322(4) 0.5100(4) 0.048(2) Uani 1 1 d . . . . .
H32 H 0.3057 0.1697 0.5030 0.057 Uiso 1 1 calc R . . . .
C33 C 0.2051(6) 0.1394(4) 0.5515(3) 0.047(2) Uani 1 1 d . . . . .
H33 H 0.2156 0.1808 0.5719 0.056 Uiso 1 1 calc R . . . .
C28 C 0.1343(6) 0.0863(4) 0.5634(3) 0.040(2) Uani 1 1 d . . . . .
C29 C 0.1236(6) 0.0234(4) 0.5331(3) 0.041(2) Uani 1 1 d . . . . .
H29 H 0.0785 -0.0143 0.5408 0.049 Uiso 1 1 calc R . . . .
C30 C 0.1793(5) 0.0165(4) 0.4919(3) 0.0360(19) Uani 1 1 d . . . . .
H30 H 0.1706 -0.0258 0.4720 0.043 Uiso 1 1 calc R . . . .
C26 C 0.0760(7) 0.0893(4) 0.6069(3) 0.052(3) Uani 1 1 d . . . . .
H26 H 0.0085 0.0781 0.5984 0.062 Uiso 1 1 calc R . . . .
C25 C 0.0799(7) 0.1657(5) 0.6317(3) 0.065(3) Uani 1 1 d . . . . .
H25A H 0.1447 0.1752 0.6429 0.098 Uiso 1 1 calc GR . . . .
H25B H 0.0362 0.1658 0.6588 0.098 Uiso 1 1 calc GR . . . .
H25C H 0.0612 0.2048 0.6092 0.098 Uiso 1 1 calc GR . . . .
C27 C 0.1123(6) 0.0280(5) 0.6412(3) 0.058(2) Uani 1 1 d . . . . .
H27A H 0.0989 -0.0213 0.6276 0.088 Uiso 1 1 calc GR . . . .
H27B H 0.0799 0.0329 0.6718 0.088 Uiso 1 1 calc GR . . . .
H27C H 0.1810 0.0337 0.6457 0.088 Uiso 1 1 calc GR . . . .
C34 C 0.3057(6) 0.0608(5) 0.4333(4) 0.077(4) Uani 1 1 d . . . . .
H34A H 0.2629 0.0435 0.4082 0.116 Uiso 1 1 calc GR . . . .
H34B H 0.3555 0.0234 0.4386 0.116 Uiso 1 1 calc GR . . . .
H34C H 0.3349 0.1082 0.4238 0.116 Uiso 1 1 calc GR . . . .
C13 C 0.2276(5) 0.2572(4) 0.3969(3) 0.042(2) Uani 1 1 d . . . . .
H13A H 0.1729 0.2701 0.3763 0.050 Uiso 1 1 calc R . . . .
H13B H 0.2386 0.2026 0.3953 0.050 Uiso 1 1 calc R . . . .
C12 C 0.3167(5) 0.3002(4) 0.3818(3) 0.038(2) Uani 1 1 d . . . . .
H12A H 0.3063 0.3542 0.3873 0.046 Uiso 1 1 calc R . . . .
H12B H 0.3709 0.2843 0.4019 0.046 Uiso 1 1 calc R . . . .
C10 C 0.3429(7) 0.4673(5) 0.3203(3) 0.061(3) Uani 1 1 d . . . . .
H10A H 0.3107 0.5158 0.3194 0.091 Uiso 1 1 calc GR . . . .
H10B H 0.4057 0.4717 0.3055 0.091 Uiso 1 1 calc GR . . . .
H10C H 0.3503 0.4513 0.3534 0.091 Uiso 1 1 calc GR . . . .
C14 C 0.0243(5) 0.3042(5) 0.4399(3) 0.040(2) Uani 1 1 d . . . . .
C19 C 0.0305(7) 0.3819(5) 0.4383(5) 0.092(4) Uani 1 1 d . . . . .
H19 H 0.0770 0.4066 0.4570 0.110 Uiso 1 1 calc R . . . .
C18 C -0.0303(7) 0.4244(6) 0.4097(5) 0.110(6) Uani 1 1 d . . . . .
H18 H -0.0239 0.4772 0.4081 0.132 Uiso 1 1 calc R . . . .
C17 C -0.0992(7) 0.3886(6) 0.3839(4) 0.076(4) Uani 1 1 d . . . . .
H17 H -0.1419 0.4173 0.3652 0.091 Uiso 1 1 calc R . . . .
C16 C -0.1083(6) 0.3105(6) 0.3846(3) 0.054(3) Uani 1 1 d . . . . .
H16 H -0.1556 0.2863 0.3661 0.065 Uiso 1 1 calc R . . . .
C15 C -0.0458(5) 0.2690(5) 0.4132(3) 0.038(2) Uani 1 1 d . . . . .
H15 H -0.0515 0.2161 0.4142 0.046 Uiso 1 1 calc R . . . .
C20 C 0.1292(5) 0.3106(4) 0.5251(3) 0.035(2) Uani 1 1 d . . . . .
C21 C 0.2187(5) 0.3358(4) 0.5405(3) 0.038(2) Uani 1 1 d . . . . .
H21 H 0.2733 0.3270 0.5215 0.045 Uiso 1 1 calc R . . . .
C22 C 0.2280(6) 0.3736(4) 0.5833(3) 0.048(2) Uani 1 1 d . . . . .
H22 H 0.2888 0.3903 0.5935 0.058 Uiso 1 1 calc R . . . .
C23 C 0.1493(6) 0.3868(4) 0.6110(3) 0.048(2) Uani 1 1 d . . . . .
H23 H 0.1560 0.4124 0.6404 0.057 Uiso 1 1 calc R . . . .
C24 C 0.0612(6) 0.3633(4) 0.5966(3) 0.047(2) Uani 1 1 d . . . . .
H24 H 0.0069 0.3735 0.6156 0.056 Uiso 1 1 calc R . . . .
C0AA C 0.0512(5) 0.3251(4) 0.5548(3) 0.044(2) Uani 1 1 d . . . . .
H0AA H -0.0100 0.3080 0.5457 0.053 Uiso 1 1 calc R . . . .
C9 C 0.1829(8) 0.4061(5) 0.3135(5) 0.096(4) Uani 1 1 d . . . . .
H9A H 0.1861 0.3961 0.3477 0.144 Uiso 1 1 calc GR . . . .
H9B H 0.1472 0.3662 0.2978 0.144 Uiso 1 1 calc GR . . . .
H9C H 0.1509 0.4540 0.3081 0.144 Uiso 1 1 calc GR . . . .
N1 N 0.3866(5) 0.2236(3) 0.3210(3) 0.0519(19) Uani 1 1 d . . . . .
H1 H 0.4013 0.1869 0.3405 0.062 Uiso 1 1 calc R . . . .
N2 N 0.3405(5) 0.2883(4) 0.3323(3) 0.0458(19) Uani 1 1 d . . . . .
C5 C 0.4048(8) 0.2270(5) 0.2747(4) 0.063(3) Uani 1 1 d . . . . .
C7 C 0.3307(7) 0.3334(5) 0.2933(4) 0.058(3) Uani 1 1 d . . . . .
C6 C 0.3693(8) 0.2952(5) 0.2566(4) 0.077(4) Uani 1 1 d . . . . .
H6 H 0.3720 0.3113 0.2245 0.093 Uiso 1 1 calc R . . . .
C4 C 0.4575(12) 0.1674(6) 0.2486(5) 0.098(5) Uani 1 1 d . . . . .
C8 C 0.2834(9) 0.4094(5) 0.2931(4) 0.071(3) Uani 1 1 d . . . . .
C1 C 0.4622(9) 0.0962(6) 0.2770(4) 0.111(5) Uani 1 1 d . . . . .
H1A H 0.5013 0.1042 0.3054 0.166 Uiso 1 1 calc GR . . . .
H1B H 0.4904 0.0566 0.2576 0.166 Uiso 1 1 calc GR . . . .
H1C H 0.3979 0.0815 0.2866 0.166 Uiso 1 1 calc GR . . . .
C11 C 0.2742(10) 0.4352(6) 0.2416(4) 0.112(5) Uani 1 1 d . . . . .
H11A H 0.2423 0.4838 0.2406 0.168 Uiso 1 1 calc GR . . . .
H11B H 0.2367 0.3986 0.2237 0.168 Uiso 1 1 calc GR . . . .
H11C H 0.3376 0.4396 0.2274 0.168 Uiso 1 1 calc GR . . . .
C2 C 0.403(2) 0.1475(9) 0.2066(6) 0.32(2) Uani 1 1 d . . . . .
H2A H 0.3701 0.0998 0.2120 0.479 Uiso 1 1 calc GR . . . .
H2B H 0.4453 0.1428 0.1793 0.479 Uiso 1 1 calc GR . . . .
H2C H 0.3553 0.1864 0.2003 0.479 Uiso 1 1 calc GR . . . .
C3 C 0.5514(18) 0.1954(10) 0.2354(12) 0.40(3) Uani 1 1 d . . . . .
H3A H 0.5493 0.2500 0.2329 0.594 Uiso 1 1 calc GR . . . .
H3B H 0.5702 0.1740 0.2048 0.594 Uiso 1 1 calc GR . . . .
H3C H 0.5978 0.1810 0.2597 0.594 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 Cl1 2.3989(19) . ?
Ru1 Cl2 2.398(2) . ?
Ru1 P1 2.301(2) . ?
Ru1 C31 2.237(8) . ?
Ru1 C32 2.172(7) . ?
Ru1 C33 2.181(8) . ?
Ru1 C28 2.223(8) . ?
Ru1 C29 2.259(7) . ?
Ru1 C30 2.244(7) . ?
P1 O1 1.619(5) . ?
P1 C14 1.807(8) . ?
P1 C20 1.797(8) . ?
O1 C13 1.438(9) . ?
C31 C32 1.401(12) . ?
C31 C30 1.453(10) . ?
C31 C34 1.513(12) . ?
C32 H32 0.9500 . ?
C32 C33 1.405(11) . ?
C33 H33 0.9500 . ?
C33 C28 1.417(11) . ?
C28 C29 1.421(10) . ?
C28 C26 1.477(12) . ?
C29 H29 0.9500 . ?
C29 C30 1.408(11) . ?
C30 H30 0.9500 . ?
C26 H26 1.0000 . ?
C26 C25 1.536(11) . ?
C26 C27 1.547(11) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C12 1.530(10) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 N2 1.450(10) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C10 C8 1.536(13) . ?
C14 C19 1.396(11) . ?
C14 C15 1.391(10) . ?
C19 H19 0.9500 . ?
C19 C18 1.400(12) . ?
C18 H18 0.9500 . ?
C18 C17 1.369(14) . ?
C17 H17 0.9500 . ?
C17 C16 1.404(13) . ?
C16 H16 0.9500 . ?
C16 C15 1.405(10) . ?
C15 H15 0.9500 . ?
C20 C21 1.407(10) . ?
C20 C0AA 1.405(10) . ?
C21 H21 0.9500 . ?
C21 C22 1.387(11) . ?
C22 H22 0.9500 . ?
C22 C23 1.375(11) . ?
C23 H23 0.9500 . ?
C23 C24 1.371(10) . ?
C24 H24 0.9500 . ?
C24 C0AA 1.368(11) . ?
C0AA H0AA 0.9500 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C9 C8 1.527(14) . ?
N1 H1 0.8800 . ?
N1 N2 1.365(8) . ?
N1 C5 1.331(11) . ?
N2 C7 1.369(11) . ?
C5 C6 1.414(12) . ?
C5 C4 1.493(14) . ?
C7 C6 1.353(13) . ?
C7 C8 1.515(12) . ?
C6 H6 0.9500 . ?
C4 C1 1.506(14) . ?
C4 C2 1.46(2) . ?
C4 C3 1.46(2) . ?
C8 C11 1.530(13) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 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
Cl2 Ru1 Cl1 90.30(7) . . ?
P1 Ru1 Cl1 84.11(7) . . ?
P1 Ru1 Cl2 89.94(7) . . ?
C31 Ru1 Cl1 162.8(2) . . ?
C31 Ru1 Cl2 90.6(2) . . ?
C31 Ru1 P1 113.1(2) . . ?
C31 Ru1 C29 67.7(3) . . ?
C31 Ru1 C30 37.8(3) . . ?
C32 Ru1 Cl1 148.5(3) . . ?
C32 Ru1 Cl2 120.8(3) . . ?
C32 Ru1 P1 90.4(2) . . ?
C32 Ru1 C31 37.0(3) . . ?
C32 Ru1 C33 37.7(3) . . ?
C32 Ru1 C28 68.1(3) . . ?
C32 Ru1 C29 78.7(3) . . ?
C32 Ru1 C30 66.4(3) . . ?
C33 Ru1 Cl1 111.7(3) . . ?
C33 Ru1 Cl2 157.9(3) . . ?
C33 Ru1 P1 94.4(2) . . ?
C33 Ru1 C31 67.7(3) . . ?
C33 Ru1 C28 37.5(3) . . ?
C33 Ru1 C29 66.3(3) . . ?
C33 Ru1 C30 78.2(3) . . ?
C28 Ru1 Cl1 88.9(2) . . ?
C28 Ru1 Cl2 147.2(2) . . ?
C28 Ru1 P1 122.6(2) . . ?
C28 Ru1 C31 81.1(3) . . ?
C28 Ru1 C29 36.9(3) . . ?
C28 Ru1 C30 66.6(3) . . ?
C29 Ru1 Cl1 96.0(2) . . ?
C29 Ru1 Cl2 110.7(2) . . ?
C29 Ru1 P1 159.4(2) . . ?
C30 Ru1 Cl1 125.09(19) . . ?
C30 Ru1 Cl2 87.4(2) . . ?
C30 Ru1 P1 150.7(2) . . ?
C30 Ru1 C29 36.4(3) . . ?
O1 P1 Ru1 114.0(2) . . ?
O1 P1 C14 102.0(3) . . ?
O1 P1 C20 98.4(3) . . ?
C14 P1 Ru1 124.5(3) . . ?
C20 P1 Ru1 111.3(2) . . ?
C20 P1 C14 103.0(4) . . ?
C13 O1 P1 120.1(4) . . ?
C32 C31 Ru1 69.0(4) . . ?
C32 C31 C30 115.8(9) . . ?
C32 C31 C34 125.6(8) . . ?
C30 C31 Ru1 71.3(4) . . ?
C30 C31 C34 118.6(8) . . ?
C34 C31 Ru1 129.7(6) . . ?
Ru1 C32 H32 128.1 . . ?
C31 C32 Ru1 74.0(5) . . ?
C31 C32 H32 118.7 . . ?
C31 C32 C33 122.5(8) . . ?
C33 C32 Ru1 71.5(4) . . ?
C33 C32 H32 118.7 . . ?
Ru1 C33 H33 129.5 . . ?
C32 C33 Ru1 70.8(5) . . ?
C32 C33 H33 119.3 . . ?
C32 C33 C28 121.4(8) . . ?
C28 C33 Ru1 72.9(4) . . ?
C28 C33 H33 119.3 . . ?
C33 C28 Ru1 69.6(5) . . ?
C33 C28 C29 117.7(8) . . ?
C33 C28 C26 124.2(8) . . ?
C29 C28 Ru1 72.9(5) . . ?
C29 C28 C26 117.9(7) . . ?
C26 C28 Ru1 132.3(5) . . ?
Ru1 C29 H29 131.7 . . ?
C28 C29 Ru1 70.2(4) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 Ru1 71.2(4) . . ?
C30 C29 C28 120.4(7) . . ?
C30 C29 H29 119.8 . . ?
Ru1 C30 H30 130.7 . . ?
C31 C30 Ru1 70.8(4) . . ?
C31 C30 H30 119.0 . . ?
C29 C30 Ru1 72.4(4) . . ?
C29 C30 C31 122.1(8) . . ?
C29 C30 H30 119.0 . . ?
C28 C26 H26 108.7 . . ?
C28 C26 C25 113.0(7) . . ?
C28 C26 C27 108.0(7) . . ?
C25 C26 H26 108.7 . . ?
C25 C26 C27 109.7(7) . . ?
C27 C26 H26 108.7 . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O1 C13 H13A 110.9 . . ?
O1 C13 H13B 110.9 . . ?
O1 C13 C12 104.2(6) . . ?
H13A C13 H13B 108.9 . . ?
C12 C13 H13A 110.9 . . ?
C12 C13 H13B 110.9 . . ?
C13 C12 H12A 109.1 . . ?
C13 C12 H12B 109.1 . . ?
H12A C12 H12B 107.9 . . ?
N2 C12 C13 112.4(7) . . ?
N2 C12 H12A 109.1 . . ?
N2 C12 H12B 109.1 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
C19 C14 P1 117.3(7) . . ?
C15 C14 P1 123.8(6) . . ?
C15 C14 C19 118.6(8) . . ?
C14 C19 H19 119.3 . . ?
C14 C19 C18 121.5(10) . . ?
C18 C19 H19 119.3 . . ?
C19 C18 H18 120.5 . . ?
C17 C18 C19 118.9(10) . . ?
C17 C18 H18 120.5 . . ?
C18 C17 H17 119.2 . . ?
C18 C17 C16 121.5(9) . . ?
C16 C17 H17 119.2 . . ?
C17 C16 H16 120.7 . . ?
C17 C16 C15 118.6(9) . . ?
C15 C16 H16 120.7 . . ?
C14 C15 C16 120.9(8) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C21 C20 P1 122.0(6) . . ?
C0AA C20 P1 120.7(6) . . ?
C0AA C20 C21 117.0(8) . . ?
C20 C21 H21 119.7 . . ?
C22 C21 C20 120.7(8) . . ?
C22 C21 H21 119.7 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.1(8) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.5(9) . . ?
C24 C23 H23 119.8 . . ?
C23 C24 H24 120.0 . . ?
C0AA C24 C23 120.0(8) . . ?
C0AA C24 H24 120.0 . . ?
C20 C0AA H0AA 119.1 . . ?
C24 C0AA C20 121.8(7) . . ?
C24 C0AA H0AA 119.1 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
N2 N1 H1 126.9 . . ?
C5 N1 H1 126.9 . . ?
C5 N1 N2 106.3(7) . . ?
N1 N2 C12 117.3(7) . . ?
N1 N2 C7 111.2(8) . . ?
C7 N2 C12 131.4(7) . . ?
N1 C5 C6 108.9(9) . . ?
N1 C5 C4 123.0(9) . . ?
C6 C5 C4 128.0(10) . . ?
N2 C7 C8 125.2(9) . . ?
C6 C7 N2 106.0(8) . . ?
C6 C7 C8 128.8(9) . . ?
C5 C6 H6 126.2 . . ?
C7 C6 C5 107.6(10) . . ?
C7 C6 H6 126.2 . . ?
C5 C4 C1 111.4(10) . . ?
C2 C4 C5 108.2(13) . . ?
C2 C4 C1 104.4(12) . . ?
C2 C4 C3 110.9(18) . . ?
C3 C4 C5 109.2(11) . . ?
C3 C4 C1 112.7(16) . . ?
C9 C8 C10 110.1(9) . . ?
C9 C8 C11 106.8(10) . . ?
C7 C8 C10 111.4(9) . . ?
C7 C8 C9 111.7(8) . . ?
C7 C8 C11 108.2(9) . . ?
C11 C8 C10 108.4(9) . . ?
C4 C1 H1A 109.5 . . ?
C4 C1 H1B 109.5 . . ?
C4 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C4 C2 H2A 109.5 . . ?
C4 C2 H2B 109.5 . . ?
C4 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 P1 O1 C13 69.3(6) . . . . ?
Ru1 P1 C14 C19 170.3(7) . . . . ?
Ru1 P1 C14 C15 -15.6(9) . . . . ?
Ru1 P1 C20 C21 95.8(6) . . . . ?
Ru1 P1 C20 C0AA -78.6(6) . . . . ?
Ru1 C31 C32 C33 54.9(7) . . . . ?
Ru1 C31 C30 C29 -53.3(6) . . . . ?
Ru1 C32 C33 C28 54.7(7) . . . . ?
Ru1 C33 C28 C29 56.7(6) . . . . ?
Ru1 C33 C28 C26 -128.0(7) . . . . ?
Ru1 C28 C29 C30 52.5(6) . . . . ?
Ru1 C28 C26 C25 -77.5(10) . . . . ?
Ru1 C28 C26 C27 161.0(6) . . . . ?
Ru1 C29 C30 C31 52.7(6) . . . . ?
P1 O1 C13 C12 173.1(5) . . . . ?
P1 C14 C19 C18 172.7(10) . . . . ?
P1 C14 C15 C16 -173.0(6) . . . . ?
P1 C20 C21 C22 -174.8(6) . . . . ?
P1 C20 C0AA C24 175.8(6) . . . . ?
O1 P1 C14 C19 -59.0(9) . . . . ?
O1 P1 C14 C15 115.0(7) . . . . ?
O1 P1 C20 C21 -24.2(6) . . . . ?
O1 P1 C20 C0AA 161.4(6) . . . . ?
O1 C13 C12 N2 -175.2(6) . . . . ?
C31 C32 C33 Ru1 -56.0(7) . . . . ?
C31 C32 C33 C28 -1.3(12) . . . . ?
C32 C31 C30 Ru1 54.3(6) . . . . ?
C32 C31 C30 C29 1.0(11) . . . . ?
C32 C33 C28 Ru1 -53.8(7) . . . . ?
C32 C33 C28 C29 2.9(11) . . . . ?
C32 C33 C28 C26 178.2(7) . . . . ?
C33 C28 C29 Ru1 -55.0(6) . . . . ?
C33 C28 C29 C30 -2.5(11) . . . . ?
C33 C28 C26 C25 15.3(11) . . . . ?
C33 C28 C26 C27 -106.1(8) . . . . ?
C28 C29 C30 Ru1 -52.1(6) . . . . ?
C28 C29 C30 C31 0.6(11) . . . . ?
C29 C28 C26 C25 -169.3(7) . . . . ?
C29 C28 C26 C27 69.2(9) . . . . ?
C30 C31 C32 Ru1 -55.5(6) . . . . ?
C30 C31 C32 C33 -0.6(11) . . . . ?
C26 C28 C29 Ru1 129.3(7) . . . . ?
C26 C28 C29 C30 -178.1(7) . . . . ?
C34 C31 C32 Ru1 124.5(8) . . . . ?
C34 C31 C32 C33 179.5(8) . . . . ?
C34 C31 C30 Ru1 -125.7(7) . . . . ?
C34 C31 C30 C29 -179.1(7) . . . . ?
C13 C12 N2 N1 -79.6(9) . . . . ?
C13 C12 N2 C7 105.4(10) . . . . ?
C12 N2 C7 C6 176.8(8) . . . . ?
C12 N2 C7 C8 -4.5(16) . . . . ?
C14 P1 O1 C13 -67.5(6) . . . . ?
C14 P1 C20 C21 -128.7(6) . . . . ?
C14 P1 C20 C0AA 56.9(7) . . . . ?
C14 C19 C18 C17 2(2) . . . . ?
C19 C14 C15 C16 0.9(13) . . . . ?
C19 C18 C17 C16 -1.8(19) . . . . ?
C18 C17 C16 C15 1.2(15) . . . . ?
C17 C16 C15 C14 -0.7(12) . . . . ?
C15 C14 C19 C18 -1.6(17) . . . . ?
C20 P1 O1 C13 -172.8(5) . . . . ?
C20 P1 C14 C19 42.7(9) . . . . ?
C20 P1 C14 C15 -143.3(7) . . . . ?
C20 C21 C22 C23 -0.2(12) . . . . ?
C21 C20 C0AA C24 1.1(11) . . . . ?
C21 C22 C23 C24 -0.3(12) . . . . ?
C22 C23 C24 C0AA 1.3(12) . . . . ?
C23 C24 C0AA C20 -1.7(12) . . . . ?
C0AA C20 C21 C22 -0.2(11) . . . . ?
N1 N2 C7 C6 1.6(11) . . . . ?
N1 N2 C7 C8 -179.7(9) . . . . ?
N1 C5 C6 C7 1.1(13) . . . . ?
N1 C5 C4 C1 15.9(18) . . . . ?
N1 C5 C4 C2 130.0(15) . . . . ?
N1 C5 C4 C3 -109.2(19) . . . . ?
N2 N1 C5 C6 -0.1(11) . . . . ?
N2 N1 C5 C4 178.2(10) . . . . ?
N2 C7 C6 C5 -1.6(12) . . . . ?
N2 C7 C8 C10 69.4(13) . . . . ?
N2 C7 C8 C9 -54.2(14) . . . . ?
N2 C7 C8 C11 -171.5(10) . . . . ?
C5 N1 N2 C12 -176.9(7) . . . . ?
C5 N1 N2 C7 -0.9(10) . . . . ?
C6 C5 C4 C1 -166.2(12) . . . . ?
C6 C5 C4 C2 -52.0(19) . . . . ?
C6 C5 C4 C3 69(2) . . . . ?
C6 C7 C8 C10 -112.2(12) . . . . ?
C6 C7 C8 C9 124.2(12) . . . . ?
C6 C7 C8 C11 6.9(17) . . . . ?
C4 C5 C6 C7 -177.1(12) . . . . ?
C8 C7 C6 C5 179.8(10) . . . . ?

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

data_15lm_darkwa_gershon_ga032_cen
_database_code_depnum_ccdc_archive 'CCDC 1412963'
_audit_update_record             
;
2015-07-15 deposited with the CCDC.
2016-08-09 downloaded from the CCDC.
;
_audit_creation_date             2015-07-14
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2014.11.03 svn.r3071 for OlexSys, GUI svn.r4932)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H35 Cl2 N2 O3 P Ru'
_chemical_formula_sum            'C21 H35 Cl2 N2 O3 P Ru'
_chemical_formula_weight         566.45
_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'
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                   7.2138(7)
_cell_length_b                   9.8265(11)
_cell_length_c                   19.515(2)
_cell_angle_alpha                75.471(3)
_cell_angle_beta                 89.027(4)
_cell_angle_gamma                69.116(3)
_cell_volume                     1247.1(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2606
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.373
_cell_measurement_theta_min      2.269
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.931
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       Block
_exptl_crystal_F_000             584
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0676
_diffrn_reflns_av_unetI/netI     0.0808
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            19433
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.340
_diffrn_reflns_theta_min         1.081
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_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                4526
_reflns_number_total             6216
_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 v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2013)'
_refine_diff_density_max         0.552
_refine_diff_density_min         -0.616
_refine_diff_density_rms         0.126
_refine_ls_extinction_coef       0.0000(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     279
_refine_ls_number_reflns         6216
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0737
_refine_ls_R_factor_gt           0.0416
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          1.369
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0117P)²+2.2510P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0634
_refine_ls_wR_factor_ref         0.0782
_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.a Ternary CH refined with riding coordinates:
 C19(H19)
2.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C8(H8A,H8B), C7(H7A,H7B), C6(H6A,H6B)
2.c Aromatic/amide H refined with riding coordinates:
 C17(H17), C18(H18), C14(H14), C15(H15), C3(H3)
2.d Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C20(H20A,H20B,H20C), C11(H11A,H11B,H11C), C9(H9A,H9B,
 H9C), C5(H5A,H5B,H5C), C1(H1A,H1B,H1C), C12(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.82566(4) 0.98528(3) 0.64844(2) 0.01287(8) Uani 1 1 d . . . . .
Cl1 Cl 1.15450(12) 0.80658(10) 0.64222(4) 0.01810(19) Uani 1 1 d . . . . .
Cl2 Cl 0.98080(13) 1.14026(10) 0.68403(5) 0.0231(2) Uani 1 1 d . . . . .
P1 P 0.85362(13) 0.85614(10) 0.76397(5) 0.01273(19) Uani 1 1 d . . . . .
O2 O 0.7198(3) 0.9616(3) 0.80914(12) 0.0169(5) Uani 1 1 d . . . . .
O1 O 1.0643(3) 0.7677(3) 0.80869(12) 0.0155(5) Uani 1 1 d . . . . .
C13 C 0.7006(5) 0.9144(4) 0.56590(19) 0.0209(8) Uani 1 1 d . . . . .
O3 O 0.7712(3) 0.7212(3) 0.78062(12) 0.0148(5) Uani 1 1 d . . . . .
C16 C 0.5492(5) 1.1855(4) 0.61239(19) 0.0174(8) Uani 1 1 d . . . . .
C17 C 0.6669(5) 1.1764(4) 0.55256(19) 0.0231(9) Uani 1 1 d . . . . .
H17 H 0.6949 1.2604 0.5284 0.028 Uiso 1 1 calc R . . . .
C18 C 0.7401(5) 1.0455(5) 0.52968(19) 0.0244(9) Uani 1 1 d . . . . .
H18 H 0.8153 1.0432 0.4905 0.029 Uiso 1 1 calc R . . . .
C14 C 0.5755(5) 0.9244(4) 0.62180(19) 0.0170(8) Uani 1 1 d . . . . .
H14 H 0.5410 0.8421 0.6438 0.020 Uiso 1 1 calc R . . . .
C15 C 0.5008(5) 1.0582(4) 0.64533(18) 0.0132(7) Uani 1 1 d . . . . .
H15 H 0.4192 1.0621 0.6828 0.016 Uiso 1 1 calc R . . . .
C19 C 0.4701(5) 1.3321(4) 0.6342(2) 0.0238(9) Uani 1 1 d . . . . .
H19 H 0.5750 1.3747 0.6293 0.029 Uiso 1 1 calc R . . . .
C21 C 0.4118(6) 1.3159(4) 0.7104(2) 0.0319(10) Uani 1 1 d . . . . .
H21A H 0.3063 1.2769 0.7164 0.048 Uiso 1 1 calc GR . . . .
H21B H 0.3675 1.4127 0.7205 0.048 Uiso 1 1 calc GR . . . .
H21C H 0.5248 1.2477 0.7424 0.048 Uiso 1 1 calc GR . . . .
C20 C 0.2921(6) 1.4431(4) 0.5812(3) 0.0401(12) Uani 1 1 d . . . . .
H20A H 0.3326 1.4529 0.5337 0.060 Uiso 1 1 calc GR . . . .
H20B H 0.2476 1.5400 0.5913 0.060 Uiso 1 1 calc GR . . . .
H20C H 0.1854 1.4054 0.5857 0.060 Uiso 1 1 calc GR . . . .
C10 C 0.8688(5) 0.5897(4) 0.7530(2) 0.0207(8) Uani 1 1 d . . . . .
H10A H 0.9862 0.5206 0.7837 0.025 Uiso 1 1 calc R . . . .
H10B H 0.9099 0.6213 0.7059 0.025 Uiso 1 1 calc R . . . .
C11 C 0.7247(6) 0.5126(4) 0.7498(2) 0.0247(9) Uani 1 1 d . . . . .
H11A H 0.6879 0.4789 0.7968 0.037 Uiso 1 1 calc GR . . . .
H11B H 0.7858 0.4274 0.7307 0.037 Uiso 1 1 calc GR . . . .
H11C H 0.6080 0.5820 0.7199 0.037 Uiso 1 1 calc GR . . . .
C8 C 0.7372(6) 0.9223(4) 0.88637(18) 0.0221(8) Uani 1 1 d . . . . .
H8A H 0.8645 0.9188 0.9037 0.027 Uiso 1 1 calc R . . . .
H8B H 0.7276 0.8241 0.9054 0.027 Uiso 1 1 calc R . . . .
C9 C 0.5693(7) 1.0423(5) 0.9088(2) 0.0432(13) Uani 1 1 d . . . . .
H9A H 0.5677 1.1401 0.8836 0.065 Uiso 1 1 calc GR . . . .
H9B H 0.5882 1.0294 0.9589 0.065 Uiso 1 1 calc GR . . . .
H9C H 0.4451 1.0337 0.8982 0.065 Uiso 1 1 calc GR . . . .
C7 C 1.2052(5) 0.8378(4) 0.81683(19) 0.0166(8) Uani 1 1 d . . . . .
H7A H 1.1388 0.9316 0.8298 0.020 Uiso 1 1 calc R . . . .
H7B H 1.2663 0.8594 0.7728 0.020 Uiso 1 1 calc R . . . .
C6 C 1.3609(5) 0.7269(4) 0.87505(18) 0.0187(8) Uani 1 1 d . . . . .
H6A H 1.4308 0.6364 0.8598 0.022 Uiso 1 1 calc R . . . .
H6B H 1.4573 0.7709 0.8825 0.022 Uiso 1 1 calc R . . . .
N1 N 1.2772(4) 0.6855(3) 0.94185(15) 0.0152(6) Uani 1 1 d . . . . .
N2 N 1.1997(4) 0.7919(3) 0.97918(15) 0.0162(6) Uani 1 1 d . . . . .
C2 C 1.1287(5) 0.7219(4) 1.03534(18) 0.0160(8) Uani 1 1 d . . . . .
C3 C 1.1624(5) 0.5721(4) 1.03396(19) 0.0165(8) Uani 1 1 d . . . . .
H3 H 1.1285 0.5007 1.0674 0.020 Uiso 1 1 calc R . . . .
C4 C 1.2555(5) 0.5531(4) 0.97315(19) 0.0159(8) Uani 1 1 d . . . . .
C5 C 1.3233(5) 0.4218(4) 0.94146(19) 0.0205(8) Uani 1 1 d . . . . .
H5A H 1.2584 0.4511 0.8947 0.031 Uiso 1 1 calc GR . . . .
H5B H 1.2903 0.3405 0.9707 0.031 Uiso 1 1 calc GR . . . .
H5C H 1.4648 0.3892 0.9386 0.031 Uiso 1 1 calc GR . . . .
C1 C 1.0289(5) 0.8029(4) 1.08918(19) 0.0219(8) Uani 1 1 d . . . . .
H1A H 1.1267 0.7900 1.1254 0.033 Uiso 1 1 calc GR . . . .
H1B H 0.9323 0.7621 1.1102 0.033 Uiso 1 1 calc GR . . . .
H1C H 0.9638 0.9084 1.0664 0.033 Uiso 1 1 calc GR . . . .
C12 C 0.7897(6) 0.7709(5) 0.5426(2) 0.0321(11) Uani 1 1 d . . . . .
H12A H 0.9322 0.7385 0.5469 0.048 Uiso 1 1 calc GR . . . .
H12B H 0.7443 0.7890 0.4940 0.048 Uiso 1 1 calc GR . . . .
H12C H 0.7493 0.6939 0.5721 0.048 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 Cl1 2.4193(9) . ?
Ru1 Cl2 2.4138(10) . ?
Ru1 P1 2.2654(9) . ?
Ru1 C13 2.225(4) . ?
Ru1 C16 2.214(3) . ?
Ru1 C17 2.262(3) . ?
Ru1 C18 2.281(4) . ?
Ru1 C14 2.201(3) . ?
Ru1 C15 2.190(3) . ?
P1 O2 1.581(2) . ?
P1 O1 1.597(2) . ?
P1 O3 1.599(2) . ?
O2 C8 1.455(4) . ?
O1 C7 1.447(4) . ?
C13 C18 1.428(5) . ?
C13 C14 1.404(5) . ?
C13 C12 1.508(5) . ?
O3 C10 1.465(4) . ?
C16 C17 1.434(5) . ?
C16 C15 1.414(5) . ?
C16 C19 1.515(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.389(5) . ?
C18 H18 0.9300 . ?
C14 H14 0.9300 . ?
C14 C15 1.421(5) . ?
C15 H15 0.9300 . ?
C19 H19 0.9800 . ?
C19 C21 1.524(6) . ?
C19 C20 1.546(5) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.499(5) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.507(5) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 C6 1.513(4) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 N1 1.453(4) . ?
N1 N2 1.374(4) . ?
N1 C4 1.354(4) . ?
N2 C2 1.338(4) . ?
C2 C3 1.411(5) . ?
C2 C1 1.497(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.374(5) . ?
C4 C5 1.492(5) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl2 Ru1 Cl1 88.46(3) . . ?
P1 Ru1 Cl1 86.13(3) . . ?
P1 Ru1 Cl2 88.45(3) . . ?
P1 Ru1 C18 156.49(11) . . ?
C13 Ru1 Cl1 90.83(9) . . ?
C13 Ru1 Cl2 151.80(10) . . ?
C13 Ru1 P1 119.64(10) . . ?
C13 Ru1 C17 66.00(14) . . ?
C13 Ru1 C18 36.91(14) . . ?
C16 Ru1 Cl1 157.94(10) . . ?
C16 Ru1 Cl2 89.84(10) . . ?
C16 Ru1 P1 115.81(10) . . ?
C16 Ru1 C13 80.45(13) . . ?
C16 Ru1 C17 37.36(13) . . ?
C16 Ru1 C18 66.54(14) . . ?
C17 Ru1 Cl1 120.64(10) . . ?
C17 Ru1 Cl2 90.32(11) . . ?
C17 Ru1 P1 153.16(10) . . ?
C17 Ru1 C18 35.60(14) . . ?
C18 Ru1 Cl1 94.41(10) . . ?
C18 Ru1 Cl2 115.06(11) . . ?
C14 Ru1 Cl1 115.75(9) . . ?
C14 Ru1 Cl2 155.79(9) . . ?
C14 Ru1 P1 92.84(10) . . ?
C14 Ru1 C13 36.99(13) . . ?
C14 Ru1 C16 67.86(13) . . ?
C14 Ru1 C17 77.76(13) . . ?
C14 Ru1 C18 65.74(14) . . ?
C15 Ru1 Cl1 153.23(9) . . ?
C15 Ru1 Cl2 118.07(9) . . ?
C15 Ru1 P1 90.84(9) . . ?
C15 Ru1 C13 67.69(13) . . ?
C15 Ru1 C16 37.46(12) . . ?
C15 Ru1 C17 66.28(13) . . ?
C15 Ru1 C18 78.14(13) . . ?
C15 Ru1 C14 37.77(12) . . ?
O2 P1 Ru1 110.60(9) . . ?
O2 P1 O1 105.99(13) . . ?
O2 P1 O3 101.42(13) . . ?
O1 P1 Ru1 122.05(10) . . ?
O1 P1 O3 98.16(13) . . ?
O3 P1 Ru1 116.11(10) . . ?
C8 O2 P1 123.5(2) . . ?
C7 O1 P1 123.6(2) . . ?
C18 C13 Ru1 73.7(2) . . ?
C18 C13 C12 119.7(4) . . ?
C14 C13 Ru1 70.5(2) . . ?
C14 C13 C18 118.5(4) . . ?
C14 C13 C12 121.8(4) . . ?
C12 C13 Ru1 128.0(2) . . ?
C10 O3 P1 119.3(2) . . ?
C17 C16 Ru1 73.15(19) . . ?
C17 C16 C19 119.5(3) . . ?
C15 C16 Ru1 70.36(18) . . ?
C15 C16 C17 117.4(3) . . ?
C15 C16 C19 122.9(3) . . ?
C19 C16 Ru1 130.9(2) . . ?
Ru1 C17 H17 131.4 . . ?
C16 C17 Ru1 69.49(19) . . ?
C16 C17 H17 119.1 . . ?
C18 C17 Ru1 72.9(2) . . ?
C18 C17 C16 121.8(4) . . ?
C18 C17 H17 119.1 . . ?
Ru1 C18 H18 132.3 . . ?
C13 C18 Ru1 69.4(2) . . ?
C13 C18 H18 119.8 . . ?
C17 C18 Ru1 71.5(2) . . ?
C17 C18 C13 120.4(4) . . ?
C17 C18 H18 119.8 . . ?
Ru1 C14 H14 129.9 . . ?
C13 C14 Ru1 72.5(2) . . ?
C13 C14 H14 119.5 . . ?
C13 C14 C15 121.0(3) . . ?
C15 C14 Ru1 70.70(19) . . ?
C15 C14 H14 119.5 . . ?
Ru1 C15 H15 129.0 . . ?
C16 C15 Ru1 72.18(19) . . ?
C16 C15 C14 120.7(3) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 Ru1 71.52(19) . . ?
C14 C15 H15 119.7 . . ?
C16 C19 H19 107.7 . . ?
C16 C19 C21 114.6(3) . . ?
C16 C19 C20 108.0(3) . . ?
C21 C19 H19 107.7 . . ?
C21 C19 C20 110.9(3) . . ?
C20 C19 H19 107.7 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O3 C10 H10A 110.0 . . ?
O3 C10 H10B 110.0 . . ?
O3 C10 C11 108.6(3) . . ?
H10A C10 H10B 108.3 . . ?
C11 C10 H10A 110.0 . . ?
C11 C10 H10B 110.0 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O2 C8 H8A 110.3 . . ?
O2 C8 H8B 110.3 . . ?
O2 C8 C9 107.1(3) . . ?
H8A C8 H8B 108.5 . . ?
C9 C8 H8A 110.3 . . ?
C9 C8 H8B 110.3 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O1 C7 H7A 110.4 . . ?
O1 C7 H7B 110.4 . . ?
O1 C7 C6 106.7(3) . . ?
H7A C7 H7B 108.6 . . ?
C6 C7 H7A 110.4 . . ?
C6 C7 H7B 110.4 . . ?
C7 C6 H6A 109.0 . . ?
C7 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
N1 C6 C7 113.0(3) . . ?
N1 C6 H6A 109.0 . . ?
N1 C6 H6B 109.0 . . ?
N2 N1 C6 118.9(3) . . ?
C4 N1 C6 128.5(3) . . ?
C4 N1 N2 112.5(3) . . ?
C2 N2 N1 104.4(3) . . ?
N2 C2 C3 110.8(3) . . ?
N2 C2 C1 120.6(3) . . ?
C3 C2 C1 128.6(3) . . ?
C2 C3 H3 127.0 . . ?
C4 C3 C2 106.1(3) . . ?
C4 C3 H3 127.0 . . ?
N1 C4 C3 106.2(3) . . ?
N1 C4 C5 122.3(3) . . ?
C3 C4 C5 131.5(3) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C13 C12 H12A 109.5 . . ?
C13 C12 H12B 109.5 . . ?
C13 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 P1 O2 C8 -166.5(2) . . . . ?
Ru1 P1 O1 C7 55.7(3) . . . . ?
Ru1 P1 O3 C10 65.1(2) . . . . ?
Ru1 C13 C18 C17 -52.1(3) . . . . ?
Ru1 C13 C14 C15 53.5(3) . . . . ?
Ru1 C16 C17 C18 53.1(3) . . . . ?
Ru1 C16 C15 C14 -54.7(3) . . . . ?
Ru1 C16 C19 C21 -67.0(4) . . . . ?
Ru1 C16 C19 C20 168.9(3) . . . . ?
Ru1 C17 C18 C13 51.2(3) . . . . ?
Ru1 C14 C15 C16 55.0(3) . . . . ?
P1 O2 C8 C9 -173.4(3) . . . . ?
P1 O1 C7 C6 167.7(2) . . . . ?
P1 O3 C10 C11 -157.8(2) . . . . ?
O2 P1 O1 C7 -72.0(3) . . . . ?
O2 P1 O3 C10 -175.0(2) . . . . ?
O1 P1 O2 C8 -32.2(3) . . . . ?
O1 P1 O3 C10 -66.7(2) . . . . ?
O1 C7 C6 N1 -57.8(4) . . . . ?
C13 C14 C15 Ru1 -54.3(3) . . . . ?
C13 C14 C15 C16 0.7(5) . . . . ?
O3 P1 O2 C8 69.8(3) . . . . ?
O3 P1 O1 C7 -176.4(3) . . . . ?
C16 C17 C18 Ru1 -51.6(3) . . . . ?
C16 C17 C18 C13 -0.4(5) . . . . ?
C17 C16 C15 Ru1 57.9(3) . . . . ?
C17 C16 C15 C14 3.2(5) . . . . ?
C17 C16 C19 C21 -159.8(3) . . . . ?
C17 C16 C19 C20 76.0(4) . . . . ?
C18 C13 C14 Ru1 -57.9(3) . . . . ?
C18 C13 C14 C15 -4.4(5) . . . . ?
C14 C13 C18 Ru1 56.4(3) . . . . ?
C14 C13 C18 C17 4.3(5) . . . . ?
C15 C16 C17 Ru1 -56.4(3) . . . . ?
C15 C16 C17 C18 -3.3(5) . . . . ?
C15 C16 C19 C21 24.8(5) . . . . ?
C15 C16 C19 C20 -99.3(4) . . . . ?
C19 C16 C17 Ru1 127.9(3) . . . . ?
C19 C16 C17 C18 -178.9(3) . . . . ?
C19 C16 C15 Ru1 -126.7(3) . . . . ?
C19 C16 C15 C14 178.6(3) . . . . ?
C7 C6 N1 N2 -69.2(4) . . . . ?
C7 C6 N1 C4 107.7(4) . . . . ?
C6 N1 N2 C2 177.5(3) . . . . ?
C6 N1 C4 C3 -177.9(3) . . . . ?
C6 N1 C4 C5 1.3(5) . . . . ?
N1 N2 C2 C3 0.5(4) . . . . ?
N1 N2 C2 C1 -179.4(3) . . . . ?
N2 N1 C4 C3 -0.8(4) . . . . ?
N2 N1 C4 C5 178.4(3) . . . . ?
N2 C2 C3 C4 -1.0(4) . . . . ?
C2 C3 C4 N1 1.0(4) . . . . ?
C2 C3 C4 C5 -178.0(3) . . . . ?
C4 N1 N2 C2 0.2(4) . . . . ?
C1 C2 C3 C4 178.9(3) . . . . ?
C12 C13 C18 Ru1 -124.9(3) . . . . ?
C12 C13 C18 C17 -177.0(3) . . . . ?
C12 C13 C14 Ru1 123.3(3) . . . . ?
C12 C13 C14 C15 176.9(3) . . . . ?

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

data_15lm_gershon_ga036
_database_code_depnum_ccdc_archive 'CCDC 1412966'
_audit_update_record             
;
2015-07-15 deposited with the CCDC.
2016-08-09 downloaded from the CCDC.
;
_audit_creation_date             2015-07-14
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2014.11.03 svn.r3071 for OlexSys, GUI svn.r4932)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C31 H39 Cl2 N2 O3 P Ru'
_chemical_formula_sum            'C31 H39 Cl2 N2 O3 P Ru'
_chemical_formula_weight         690.58
_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'
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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   18.1458(18)
_cell_length_b                   8.9406(7)
_cell_length_c                   18.8209(17)
_cell_angle_alpha                90
_cell_angle_beta                 95.697(2)
_cell_angle_gamma                90
_cell_volume                     3038.3(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2228
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.339
_cell_measurement_theta_min      2.525
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.780
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6578
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.0656 before and 0.0577 after correction.
The Ratio of minimum to maximum transmission is 0.8821.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             1424
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0960
_diffrn_reflns_av_unetI/netI     0.0959
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            26475
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.376
_diffrn_reflns_theta_min         1.487
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_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                5035
_reflns_number_total             7571
_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 v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.820
_refine_diff_density_min         -0.852
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       0.0015(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         7571
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0910
_refine_ls_R_factor_gt           0.0463
_refine_ls_restrained_S_all      0.991
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0514P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0924
_refine_ls_wR_factor_ref         0.1162
_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.a Ternary CH refined with riding coordinates:
 C29(H29)
2.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C20(H20A,H20B), C18(H18A,H18B)
2.c Aromatic/amide H refined with riding coordinates:
 C28(H28), C27(H27), C25(H25), C24(H24), C4(H4), C13(H13), C14(H14), C15(H15),
 C16(H16), C17(H17), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11)
2.d Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C), C30(H30A,H30B,H30C), C22(H22A,H22B,H22C), C21(H21A,H21B,
 H21C), C19(H19A,H19B,H19C)
;
_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 1.02085(2) 0.17854(3) 0.12807(2) 0.01224(10) Uani 1 1 d . . . . .
Cl1 Cl 0.98399(6) -0.07301(11) 0.15655(5) 0.0186(2) Uani 1 1 d . . . . .
Cl2 Cl 1.14507(6) 0.09021(11) 0.12030(5) 0.0187(2) Uani 1 1 d . . . . .
P1 P 1.05686(6) 0.21593(11) 0.24612(5) 0.0127(2) Uani 1 1 d . . . . .
O1 O 0.99788(15) 0.2957(3) 0.29228(14) 0.0132(6) Uani 1 1 d . . . . .
O2 O 1.07955(16) 0.0825(3) 0.29964(14) 0.0157(6) Uani 1 1 d . . . . .
O3 O 1.12185(16) 0.3346(3) 0.25467(14) 0.0169(6) Uani 1 1 d . . . . .
N1 N 0.86080(18) 0.4588(3) 0.30492(16) 0.0122(7) Uani 1 1 d . . . . .
N2 N 0.81951(19) 0.4360(3) 0.24176(17) 0.0140(7) Uani 1 1 d . . . . .
C23 C 1.0413(2) 0.3912(4) 0.0744(2) 0.0180(9) Uani 1 1 d . . . . .
C28 C 1.0274(2) 0.2798(5) 0.0202(2) 0.0200(9) Uani 1 1 d . . . . .
H28 H 1.0619 0.2660 -0.0125 0.024 Uiso 1 1 calc R . . . .
C27 C 0.9642(2) 0.1915(5) 0.0149(2) 0.0171(8) Uani 1 1 d . . . . .
H27 H 0.9568 0.1207 -0.0213 0.020 Uiso 1 1 calc R . . . .
C26 C 0.9099(2) 0.2093(4) 0.0651(2) 0.0150(8) Uani 1 1 d . . . . .
C25 C 0.9209(2) 0.3219(4) 0.11767(19) 0.0141(8) Uani 1 1 d . . . . .
H25 H 0.8855 0.3382 0.1493 0.017 Uiso 1 1 calc R . . . .
C24 C 0.9860(2) 0.4100(4) 0.1220(2) 0.0164(9) Uani 1 1 d . . . . .
H24 H 0.9928 0.4828 0.1574 0.020 Uiso 1 1 calc R . . . .
C29 C 0.8417(2) 0.1123(5) 0.0568(2) 0.0181(9) Uani 1 1 d . . . . .
H29 H 0.8565 0.0128 0.0417 0.022 Uiso 1 1 calc R . . . .
C31 C 0.8034(3) 0.0934(5) 0.1256(2) 0.0221(10) Uani 1 1 d . . . . .
H31A H 0.8379 0.0525 0.1625 0.033 Uiso 1 1 calc GR . . . .
H31B H 0.7620 0.0270 0.1168 0.033 Uiso 1 1 calc GR . . . .
H31C H 0.7865 0.1891 0.1406 0.033 Uiso 1 1 calc GR . . . .
C30 C 0.7877(2) 0.1777(5) -0.0031(2) 0.0230(9) Uani 1 1 d . . . . .
H30A H 0.7731 0.2763 0.0100 0.035 Uiso 1 1 calc GR . . . .
H30B H 0.7448 0.1149 -0.0105 0.035 Uiso 1 1 calc GR . . . .
H30C H 0.8116 0.1828 -0.0464 0.035 Uiso 1 1 calc GR . . . .
C22 C 1.1116(3) 0.4810(5) 0.0806(2) 0.0246(10) Uani 1 1 d . . . . .
H22A H 1.1120 0.5475 0.1207 0.037 Uiso 1 1 calc GR . . . .
H22B H 1.1143 0.5382 0.0378 0.037 Uiso 1 1 calc GR . . . .
H22C H 1.1533 0.4148 0.0873 0.037 Uiso 1 1 calc GR . . . .
C1 C 0.9304(2) 0.2218(4) 0.3050(2) 0.0123(8) Uani 1 1 d . . . . .
H1A H 0.9412 0.1308 0.3322 0.015 Uiso 1 1 calc R . . . .
H1B H 0.9026 0.1955 0.2601 0.015 Uiso 1 1 calc R . . . .
C2 C 0.8857(2) 0.3279(4) 0.34650(19) 0.0131(8) Uani 1 1 d . . . . .
H2A H 0.8430 0.2754 0.3612 0.016 Uiso 1 1 calc R . . . .
H2B H 0.9158 0.3600 0.3893 0.016 Uiso 1 1 calc R . . . .
C5 C 0.8141(2) 0.5704(4) 0.21007(19) 0.0128(8) Uani 1 1 d . . . . .
C4 C 0.8531(2) 0.6785(5) 0.2527(2) 0.0153(8) Uani 1 1 d . . . . .
H4 H 0.8583 0.7793 0.2422 0.018 Uiso 1 1 calc R . . . .
C3 C 0.8821(2) 0.6050(4) 0.3134(2) 0.0128(8) Uani 1 1 d . . . . .
C12 C 0.9246(2) 0.6684(4) 0.3771(2) 0.0139(8) Uani 1 1 d . . . . .
C13 C 0.9154(2) 0.6225(4) 0.4465(2) 0.0141(8) Uani 1 1 d . . . . .
H13 H 0.8815 0.5475 0.4539 0.017 Uiso 1 1 calc R . . . .
C14 C 0.9561(2) 0.6874(4) 0.5046(2) 0.0164(8) Uani 1 1 d . . . . .
H14 H 0.9504 0.6540 0.5505 0.020 Uiso 1 1 calc R . . . .
C15 C 1.0054(2) 0.8020(4) 0.4943(2) 0.0171(9) Uani 1 1 d . . . . .
H15 H 1.0332 0.8448 0.5332 0.020 Uiso 1 1 calc R . . . .
C16 C 1.0129(2) 0.8529(4) 0.4253(2) 0.0180(9) Uani 1 1 d . . . . .
H16 H 1.0446 0.9319 0.4181 0.022 Uiso 1 1 calc R . . . .
C17 C 0.9731(2) 0.7857(4) 0.3678(2) 0.0160(8) Uani 1 1 d . . . . .
H17 H 0.9789 0.8192 0.3219 0.019 Uiso 1 1 calc R . . . .
C6 C 0.7750(2) 0.5890(4) 0.1390(2) 0.0133(8) Uani 1 1 d . . . . .
C7 C 0.7164(2) 0.4953(4) 0.1141(2) 0.0156(8) Uani 1 1 d . . . . .
H7 H 0.7016 0.4191 0.1432 0.019 Uiso 1 1 calc R . . . .
C8 C 0.6803(2) 0.5147(4) 0.0467(2) 0.0170(9) Uani 1 1 d . . . . .
H8 H 0.6415 0.4516 0.0307 0.020 Uiso 1 1 calc R . . . .
C9 C 0.7018(2) 0.6280(5) 0.0027(2) 0.0195(9) Uani 1 1 d . . . . .
H9 H 0.6772 0.6410 -0.0426 0.023 Uiso 1 1 calc R . . . .
C10 C 0.7598(2) 0.7216(5) 0.0264(2) 0.0199(9) Uani 1 1 d . . . . .
H10 H 0.7740 0.7977 -0.0030 0.024 Uiso 1 1 calc R . . . .
C11 C 0.7968(2) 0.7024(4) 0.0940(2) 0.0157(8) Uani 1 1 d . . . . .
H11 H 0.8362 0.7647 0.1094 0.019 Uiso 1 1 calc R . . . .
C20 C 1.1305(2) -0.0389(4) 0.2861(2) 0.0178(9) Uani 1 1 d . . . . .
H20A H 1.1237 -0.0657 0.2359 0.021 Uiso 1 1 calc R . . . .
H20B H 1.1191 -0.1262 0.3136 0.021 Uiso 1 1 calc R . . . .
C21 C 1.2099(3) 0.0056(5) 0.3058(2) 0.0252(10) Uani 1 1 d . . . . .
H21A H 1.2238 0.0807 0.2732 0.038 Uiso 1 1 calc GR . . . .
H21B H 1.2412 -0.0803 0.3032 0.038 Uiso 1 1 calc GR . . . .
H21C H 1.2153 0.0448 0.3535 0.038 Uiso 1 1 calc GR . . . .
C18 C 1.1567(3) 0.3834(5) 0.3242(2) 0.0200(9) Uani 1 1 d . . . . .
H18A H 1.2101 0.3745 0.3253 0.024 Uiso 1 1 calc R . . . .
H18B H 1.1404 0.3199 0.3614 0.024 Uiso 1 1 calc R . . . .
C19 C 1.1361(3) 0.5446(5) 0.3378(3) 0.0325(12) Uani 1 1 d . . . . .
H19A H 1.1501 0.6064 0.2997 0.049 Uiso 1 1 calc GR . . . .
H19B H 1.1616 0.5775 0.3822 0.049 Uiso 1 1 calc GR . . . .
H19C H 1.0836 0.5518 0.3401 0.049 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 Cl1 2.4216(10) . ?
Ru1 Cl2 2.4066(11) . ?
Ru1 P1 2.2775(11) . ?
Ru1 C23 2.202(4) . ?
Ru1 C28 2.236(4) . ?
Ru1 C27 2.275(4) . ?
Ru1 C26 2.249(4) . ?
Ru1 C25 2.213(4) . ?
Ru1 C24 2.163(4) . ?
P1 O1 1.610(3) . ?
P1 O2 1.589(3) . ?
P1 O3 1.583(3) . ?
O1 C1 1.433(4) . ?
O2 C20 1.465(4) . ?
O3 C18 1.462(5) . ?
N1 N2 1.356(4) . ?
N1 C2 1.455(5) . ?
N1 C3 1.368(5) . ?
N2 C5 1.341(5) . ?
C23 C28 1.430(6) . ?
C23 C24 1.421(6) . ?
C23 C22 1.501(6) . ?
C28 H28 0.9300 . ?
C28 C27 1.388(6) . ?
C27 H27 0.9300 . ?
C27 C26 1.441(5) . ?
C26 C25 1.412(5) . ?
C26 C29 1.506(6) . ?
C25 H25 0.9300 . ?
C25 C24 1.414(6) . ?
C24 H24 0.9300 . ?
C29 H29 0.9800 . ?
C29 C31 1.538(5) . ?
C29 C30 1.535(6) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.514(5) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C5 C4 1.402(5) . ?
C5 C6 1.460(5) . ?
C4 H4 0.9300 . ?
C4 C3 1.376(5) . ?
C3 C12 1.473(5) . ?
C12 C13 1.394(5) . ?
C12 C17 1.393(5) . ?
C13 H13 0.9300 . ?
C13 C14 1.384(6) . ?
C14 H14 0.9300 . ?
C14 C15 1.386(6) . ?
C15 H15 0.9300 . ?
C15 C16 1.397(5) . ?
C16 H16 0.9300 . ?
C16 C17 1.377(6) . ?
C17 H17 0.9300 . ?
C6 C7 1.398(6) . ?
C6 C11 1.404(5) . ?
C7 H7 0.9300 . ?
C7 C8 1.379(6) . ?
C8 H8 0.9300 . ?
C8 C9 1.389(6) . ?
C9 H9 0.9300 . ?
C9 C10 1.384(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.388(6) . ?
C11 H11 0.9300 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.505(6) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.517(6) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl2 Ru1 Cl1 89.41(4) . . ?
P1 Ru1 Cl1 88.81(4) . . ?
P1 Ru1 Cl2 85.85(4) . . ?
C23 Ru1 Cl1 165.11(11) . . ?
C23 Ru1 Cl2 93.09(11) . . ?
C23 Ru1 P1 106.00(11) . . ?
C23 Ru1 C28 37.57(15) . . ?
C23 Ru1 C27 66.88(15) . . ?
C23 Ru1 C26 80.56(15) . . ?
C23 Ru1 C25 68.48(15) . . ?
C28 Ru1 Cl1 128.14(12) . . ?
C28 Ru1 Cl2 86.76(11) . . ?
C28 Ru1 P1 142.19(12) . . ?
C28 Ru1 C27 35.82(15) . . ?
C28 Ru1 C26 66.29(15) . . ?
C27 Ru1 Cl1 98.37(11) . . ?
C27 Ru1 Cl2 107.40(10) . . ?
C27 Ru1 P1 164.88(10) . . ?
C26 Ru1 Cl1 88.71(10) . . ?
C26 Ru1 Cl2 143.42(10) . . ?
C26 Ru1 P1 130.61(10) . . ?
C26 Ru1 C27 37.13(13) . . ?
C25 Ru1 Cl1 108.41(11) . . ?
C25 Ru1 Cl2 161.56(10) . . ?
C25 Ru1 P1 98.88(10) . . ?
C25 Ru1 C28 78.57(14) . . ?
C25 Ru1 C27 66.26(14) . . ?
C25 Ru1 C26 36.88(14) . . ?
C24 Ru1 Cl1 144.51(12) . . ?
C24 Ru1 Cl2 125.55(12) . . ?
C24 Ru1 P1 87.99(11) . . ?
C24 Ru1 C23 37.97(15) . . ?
C24 Ru1 C28 66.83(15) . . ?
C24 Ru1 C27 78.42(15) . . ?
C24 Ru1 C26 67.28(15) . . ?
C24 Ru1 C25 37.69(15) . . ?
O1 P1 Ru1 116.72(11) . . ?
O2 P1 Ru1 122.64(11) . . ?
O2 P1 O1 97.75(14) . . ?
O3 P1 Ru1 109.65(11) . . ?
O3 P1 O1 100.17(14) . . ?
O3 P1 O2 107.18(16) . . ?
C1 O1 P1 120.7(2) . . ?
C20 O2 P1 125.0(2) . . ?
C18 O3 P1 122.8(2) . . ?
N2 N1 C2 117.8(3) . . ?
N2 N1 C3 111.8(3) . . ?
C3 N1 C2 129.6(3) . . ?
C5 N2 N1 105.4(3) . . ?
C28 C23 Ru1 72.5(2) . . ?
C28 C23 C22 121.1(4) . . ?
C24 C23 Ru1 69.5(2) . . ?
C24 C23 C28 116.5(4) . . ?
C24 C23 C22 122.4(4) . . ?
C22 C23 Ru1 127.3(3) . . ?
Ru1 C28 H28 130.4 . . ?
C23 C28 Ru1 69.9(2) . . ?
C23 C28 H28 118.8 . . ?
C27 C28 Ru1 73.6(2) . . ?
C27 C28 C23 122.3(4) . . ?
C27 C28 H28 118.8 . . ?
Ru1 C27 H27 132.1 . . ?
C28 C27 Ru1 70.6(2) . . ?
C28 C27 H27 119.9 . . ?
C28 C27 C26 120.2(4) . . ?
C26 C27 Ru1 70.4(2) . . ?
C26 C27 H27 119.9 . . ?
C27 C26 Ru1 72.4(2) . . ?
C27 C26 C29 118.5(4) . . ?
C25 C26 Ru1 70.2(2) . . ?
C25 C26 C27 118.7(4) . . ?
C25 C26 C29 122.8(3) . . ?
C29 C26 Ru1 131.9(3) . . ?
Ru1 C25 H25 130.2 . . ?
C26 C25 Ru1 72.9(2) . . ?
C26 C25 H25 120.1 . . ?
C26 C25 C24 119.8(3) . . ?
C24 C25 Ru1 69.2(2) . . ?
C24 C25 H25 120.1 . . ?
Ru1 C24 H24 127.9 . . ?
C23 C24 Ru1 72.5(2) . . ?
C23 C24 H24 118.8 . . ?
C25 C24 Ru1 73.1(2) . . ?
C25 C24 C23 122.4(4) . . ?
C25 C24 H24 118.8 . . ?
C26 C29 H29 107.8 . . ?
C26 C29 C31 114.3(3) . . ?
C26 C29 C30 108.3(3) . . ?
C31 C29 H29 107.8 . . ?
C30 C29 H29 107.8 . . ?
C30 C29 C31 110.6(4) . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C23 C22 H22A 109.5 . . ?
C23 C22 H22B 109.5 . . ?
C23 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O1 C1 H1A 110.1 . . ?
O1 C1 H1B 110.1 . . ?
O1 C1 C2 107.9(3) . . ?
H1A C1 H1B 108.4 . . ?
C2 C1 H1A 110.1 . . ?
C2 C1 H1B 110.1 . . ?
N1 C2 C1 112.4(3) . . ?
N1 C2 H2A 109.1 . . ?
N1 C2 H2B 109.1 . . ?
C1 C2 H2A 109.1 . . ?
C1 C2 H2B 109.1 . . ?
H2A C2 H2B 107.9 . . ?
N2 C5 C4 110.7(3) . . ?
N2 C5 C6 121.2(3) . . ?
C4 C5 C6 128.1(3) . . ?
C5 C4 H4 127.0 . . ?
C3 C4 C5 106.0(4) . . ?
C3 C4 H4 127.0 . . ?
N1 C3 C4 106.2(4) . . ?
N1 C3 C12 125.5(3) . . ?
C4 C3 C12 128.2(4) . . ?
C13 C12 C3 123.3(4) . . ?
C17 C12 C3 118.2(3) . . ?
C17 C12 C13 118.4(4) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 C12 120.8(4) . . ?
C14 C13 H13 119.6 . . ?
C13 C14 H14 119.9 . . ?
C13 C14 C15 120.1(4) . . ?
C15 C14 H14 119.9 . . ?
C14 C15 H15 120.2 . . ?
C14 C15 C16 119.6(4) . . ?
C16 C15 H15 120.2 . . ?
C15 C16 H16 120.1 . . ?
C17 C16 C15 119.9(4) . . ?
C17 C16 H16 120.1 . . ?
C12 C17 H17 119.4 . . ?
C16 C17 C12 121.2(4) . . ?
C16 C17 H17 119.4 . . ?
C7 C6 C5 121.6(4) . . ?
C7 C6 C11 118.8(4) . . ?
C11 C6 C5 119.7(4) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 C6 120.6(4) . . ?
C8 C7 H7 119.7 . . ?
C7 C8 H8 119.8 . . ?
C7 C8 C9 120.3(4) . . ?
C9 C8 H8 119.8 . . ?
C8 C9 H9 120.1 . . ?
C10 C9 C8 119.9(4) . . ?
C10 C9 H9 120.1 . . ?
C9 C10 H10 119.8 . . ?
C9 C10 C11 120.3(4) . . ?
C11 C10 H10 119.8 . . ?
C6 C11 H11 119.9 . . ?
C10 C11 C6 120.2(4) . . ?
C10 C11 H11 119.9 . . ?
O2 C20 H20A 109.3 . . ?
O2 C20 H20B 109.3 . . ?
O2 C20 C21 111.5(3) . . ?
H20A C20 H20B 108.0 . . ?
C21 C20 H20A 109.3 . . ?
C21 C20 H20B 109.3 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O3 C18 H18A 109.7 . . ?
O3 C18 H18B 109.7 . . ?
O3 C18 C19 110.0(4) . . ?
H18A C18 H18B 108.2 . . ?
C19 C18 H18A 109.7 . . ?
C19 C18 H18B 109.7 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 P1 O1 C1 66.9(3) . . . . ?
Ru1 P1 O2 C20 47.7(3) . . . . ?
Ru1 P1 O3 C18 179.6(3) . . . . ?
Ru1 C23 C28 C27 54.1(4) . . . . ?
Ru1 C23 C24 C25 -55.8(3) . . . . ?
Ru1 C28 C27 C26 51.9(3) . . . . ?
Ru1 C27 C26 C25 54.7(3) . . . . ?
Ru1 C27 C26 C29 -128.7(3) . . . . ?
Ru1 C26 C25 C24 52.9(3) . . . . ?
Ru1 C26 C29 C31 66.1(5) . . . . ?
Ru1 C26 C29 C30 -170.1(3) . . . . ?
Ru1 C25 C24 C23 55.6(3) . . . . ?
P1 O1 C1 C2 -177.3(2) . . . . ?
P1 O2 C20 C21 84.6(4) . . . . ?
P1 O3 C18 C19 -110.4(4) . . . . ?
O1 P1 O2 C20 176.5(3) . . . . ?
O1 P1 O3 C18 56.3(3) . . . . ?
O1 C1 C2 N1 66.4(4) . . . . ?
O2 P1 O1 C1 -65.8(3) . . . . ?
O2 P1 O3 C18 -45.2(3) . . . . ?
O3 P1 O1 C1 -174.9(3) . . . . ?
O3 P1 O2 C20 -80.3(3) . . . . ?
N1 N2 C5 C4 0.9(4) . . . . ?
N1 N2 C5 C6 178.1(3) . . . . ?
N1 C3 C12 C13 -36.2(6) . . . . ?
N1 C3 C12 C17 147.6(4) . . . . ?
N2 N1 C2 C1 57.0(4) . . . . ?
N2 N1 C3 C4 -0.1(4) . . . . ?
N2 N1 C3 C12 177.2(3) . . . . ?
N2 C5 C4 C3 -1.0(4) . . . . ?
N2 C5 C6 C7 28.7(6) . . . . ?
N2 C5 C6 C11 -150.5(4) . . . . ?
C23 C28 C27 Ru1 -52.5(4) . . . . ?
C23 C28 C27 C26 -0.5(6) . . . . ?
C28 C23 C24 Ru1 57.0(3) . . . . ?
C28 C23 C24 C25 1.2(6) . . . . ?
C28 C27 C26 Ru1 -52.0(3) . . . . ?
C28 C27 C26 C25 2.7(6) . . . . ?
C28 C27 C26 C29 179.3(4) . . . . ?
C27 C26 C25 Ru1 -55.7(3) . . . . ?
C27 C26 C25 C24 -2.8(5) . . . . ?
C27 C26 C29 C31 157.5(4) . . . . ?
C27 C26 C29 C30 -78.7(4) . . . . ?
C26 C25 C24 Ru1 -54.6(3) . . . . ?
C26 C25 C24 C23 0.9(6) . . . . ?
C25 C26 C29 C31 -26.0(6) . . . . ?
C25 C26 C29 C30 97.8(4) . . . . ?
C24 C23 C28 Ru1 -55.5(3) . . . . ?
C24 C23 C28 C27 -1.4(6) . . . . ?
C29 C26 C25 Ru1 127.7(4) . . . . ?
C29 C26 C25 C24 -179.4(4) . . . . ?
C22 C23 C28 Ru1 123.6(4) . . . . ?
C22 C23 C28 C27 177.6(4) . . . . ?
C22 C23 C24 Ru1 -122.0(4) . . . . ?
C22 C23 C24 C25 -177.8(4) . . . . ?
C2 N1 N2 C5 -170.7(3) . . . . ?
C2 N1 C3 C4 168.6(3) . . . . ?
C2 N1 C3 C12 -14.2(6) . . . . ?
C5 C4 C3 N1 0.6(4) . . . . ?
C5 C4 C3 C12 -176.5(4) . . . . ?
C5 C6 C7 C8 -179.8(4) . . . . ?
C5 C6 C11 C10 -179.7(4) . . . . ?
C4 C5 C6 C7 -154.7(4) . . . . ?
C4 C5 C6 C11 26.1(6) . . . . ?
C4 C3 C12 C13 140.4(4) . . . . ?
C4 C3 C12 C17 -35.8(6) . . . . ?
C3 N1 N2 C5 -0.6(4) . . . . ?
C3 N1 C2 C1 -111.1(4) . . . . ?
C3 C12 C13 C14 -179.1(4) . . . . ?
C3 C12 C17 C16 178.1(4) . . . . ?
C12 C13 C14 C15 1.7(6) . . . . ?
C13 C12 C17 C16 1.7(6) . . . . ?
C13 C14 C15 C16 0.9(6) . . . . ?
C14 C15 C16 C17 -2.1(6) . . . . ?
C15 C16 C17 C12 0.8(6) . . . . ?
C17 C12 C13 C14 -2.9(6) . . . . ?
C6 C5 C4 C3 -177.9(4) . . . . ?
C6 C7 C8 C9 -0.1(6) . . . . ?
C7 C6 C11 C10 1.1(6) . . . . ?
C7 C8 C9 C10 0.2(6) . . . . ?
C8 C9 C10 C11 0.3(6) . . . . ?
C9 C10 C11 C6 -0.9(6) . . . . ?
C11 C6 C7 C8 -0.6(6) . . . . ?

_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_15lm_darkwa_gershonga039
_database_code_depnum_ccdc_archive 'CCDC 1412967'
_audit_update_record             
;
2015-07-15 deposited with the CCDC.
2016-08-09 downloaded from the CCDC.
;
_audit_creation_date             2015-07-14
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2014.11.03 svn.r3071 for OlexSys, GUI svn.r4932)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C39 H39 Cl2 N2 O P Ru'
_chemical_formula_sum            'C39 H39 Cl2 N2 O P Ru'
_chemical_formula_weight         754.66
_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'
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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   17.682(2)
_cell_length_b                   10.3987(13)
_cell_length_c                   21.897(3)
_cell_angle_alpha                90
_cell_angle_beta                 105.990(2)
_cell_angle_gamma                90
_cell_volume                     3870.4(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2159
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.122
_cell_measurement_theta_min      2.296
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.615
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            bronze
_exptl_crystal_density_diffrn    1.295
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.455
_exptl_crystal_size_mid          0.397
_exptl_crystal_size_min          0.212
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1746
_diffrn_reflns_av_unetI/netI     0.1559
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            42619
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.425
_diffrn_reflns_theta_min         1.735
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_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                5292
_reflns_number_total             9697
_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 v8.27A (Bruker, 2012)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.27A (Bruker, 2012)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2013)'
_refine_diff_density_max         2.357
_refine_diff_density_min         -0.900
_refine_diff_density_rms         0.278
_refine_ls_extinction_coef       0.0142(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     419
_refine_ls_number_reflns         9697
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1686
_refine_ls_R_factor_gt           0.0840
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1321P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2139
_refine_ls_wR_factor_ref         0.2588
_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.a Ternary CH refined with riding coordinates:
 C37(H37)
2.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C0AA(H0AA,H0AB)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C23(H23), C36(H36), C20(H20), C19(H19), C29(H29), C17(H17), C35(H35),
 C33(H33), C25(H25), C13(H13), C32(H32), C27(H27), C22(H22), C21(H21), C26(H26),
  C16(H16), C15(H15), C8(H8), C11(H11), C14(H14), C28(H28), C9(H9), C7(H7),
 C10(H10)
2.d Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C39(H39A,H39B,H39C), C38(H38A,H38B,H38C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 0.94154(4) 0.63902(6) 0.08677(3) 0.0225(2) Uani 1 1 d . . . . .
P1 P 0.84018(12) 0.72449(19) 0.12065(8) 0.0209(4) Uani 1 1 d . . . . .
Cl1 Cl 0.85748(12) 0.45593(19) 0.04811(8) 0.0291(4) Uani 1 1 d . . . . .
Cl2 Cl 0.88799(12) 0.7447(2) -0.01366(8) 0.0303(5) Uani 1 1 d . . . . .
O1 O 0.8374(3) 0.6684(5) 0.1894(2) 0.0224(11) Uani 1 1 d . . . . .
N1 N 0.9066(4) 0.4845(7) 0.3005(3) 0.0261(14) Uani 1 1 d . . . . .
N2 N 0.9449(4) 0.3756(6) 0.2959(3) 0.0282(15) Uani 1 1 d . . . . .
C31 C 1.0298(5) 0.5015(8) 0.1440(3) 0.0281(18) Uani 1 1 d . . . . .
C1 C 0.8202(5) 0.5322(7) 0.1923(3) 0.0268(17) Uani 1 1 d . . . . .
H1A H 0.8576 0.4818 0.1773 0.032 Uiso 1 1 calc R . . . .
H1B H 0.7678 0.5138 0.1654 0.032 Uiso 1 1 calc R . . . .
C4 C 1.0247(5) 0.5135(8) 0.3639(4) 0.0301(18) Uani 1 1 d . . . . .
H4 H 1.0691 0.5481 0.3924 0.036 Uiso 1 1 calc R . . . .
C24 C 0.8491(4) 0.8942(7) 0.1410(3) 0.0222(16) Uani 1 1 d . . . . .
C0AA C 0.8255(5) 0.4974(8) 0.2604(3) 0.0280(17) Uani 1 1 d . . . . .
H0AA H 0.7991 0.5631 0.2783 0.034 Uiso 1 1 calc R . . . .
H0AB H 0.7981 0.4169 0.2610 0.034 Uiso 1 1 calc R . . . .
C23 C 0.7123(5) 0.6780(8) 0.0112(4) 0.0300(18) Uani 1 1 d . . . . .
H23 H 0.7485 0.6469 -0.0089 0.036 Uiso 1 1 calc R . . . .
C18 C 0.7381(4) 0.7189(7) 0.0741(3) 0.0236(16) Uani 1 1 d . . . . .
C36 C 1.0178(5) 0.6031(8) 0.1824(4) 0.0302(18) Uani 1 1 d . . . . .
H36 H 1.0043 0.5854 0.2197 0.036 Uiso 1 1 calc R . . . .
C20 C 0.6027(5) 0.7722(9) 0.0694(4) 0.036(2) Uani 1 1 d . . . . .
H20 H 0.5659 0.8033 0.0890 0.043 Uiso 1 1 calc R . . . .
C19 C 0.6820(5) 0.7658(8) 0.1026(3) 0.0314(19) Uani 1 1 d . . . . .
H19 H 0.6979 0.7934 0.1446 0.038 Uiso 1 1 calc R . . . .
C34 C 1.0466(4) 0.7658(8) 0.1084(3) 0.0250(16) Uani 1 1 d . . . . .
C29 C 0.8631(4) 0.9391(8) 0.2029(3) 0.0258(17) Uani 1 1 d . . . . .
H29 H 0.8699 0.8808 0.2362 0.031 Uiso 1 1 calc R . . . .
C5 C 1.0170(5) 0.3910(8) 0.3352(3) 0.0298(18) Uani 1 1 d . . . . .
C17 C 0.9623(5) 0.8089(9) 0.3533(4) 0.034(2) Uani 1 1 d . . . . .
H17 H 1.0034 0.8078 0.3343 0.041 Uiso 1 1 calc R . . . .
C35 C 1.0261(4) 0.7342(8) 0.1647(4) 0.0271(17) Uani 1 1 d . . . . .
H35 H 1.0177 0.8001 0.1908 0.033 Uiso 1 1 calc R . . . .
C33 C 1.0611(5) 0.6617(7) 0.0717(3) 0.0245(16) Uani 1 1 d . . . . .
H33 H 1.0757 0.6796 0.0349 0.029 Uiso 1 1 calc R . . . .
C25 C 0.8392(5) 0.9834(8) 0.0921(4) 0.0325(19) Uani 1 1 d . . . . .
H25 H 0.8304 0.9547 0.0505 0.039 Uiso 1 1 calc R . . . .
C3 C 0.9515(5) 0.5715(8) 0.3407(4) 0.0282(18) Uani 1 1 d . . . . .
C13 C 0.8603(5) 0.6985(9) 0.3876(4) 0.0334(19) Uani 1 1 d . . . . .
H13 H 0.8332 0.6234 0.3911 0.040 Uiso 1 1 calc R . . . .
C32 C 1.0547(4) 0.5341(8) 0.0880(3) 0.0263(17) Uani 1 1 d . . . . .
H32 H 1.0664 0.4690 0.0629 0.032 Uiso 1 1 calc R . . . .
C27 C 0.8565(5) 1.1562(8) 0.1664(4) 0.0331(19) Uani 1 1 d . . . . .
H27 H 0.8590 1.2439 0.1751 0.040 Uiso 1 1 calc R . . . .
C22 C 0.6329(5) 0.6830(9) -0.0220(3) 0.0327(19) Uani 1 1 d . . . . .
H22 H 0.6164 0.6535 -0.0637 0.039 Uiso 1 1 calc R . . . .
C21 C 0.5793(5) 0.7312(9) 0.0066(4) 0.035(2) Uani 1 1 d . . . . .
H21 H 0.5266 0.7367 -0.0163 0.042 Uiso 1 1 calc R . . . .
C6 C 1.0760(5) 0.2860(8) 0.3485(4) 0.0307(18) Uani 1 1 d . . . . .
C26 C 0.8423(6) 1.1146(8) 0.1044(4) 0.041(2) Uani 1 1 d . . . . .
H26 H 0.8349 1.1736 0.0713 0.050 Uiso 1 1 calc R . . . .
C16 C 0.9406(5) 0.9242(9) 0.3759(4) 0.038(2) Uani 1 1 d . . . . .
H16 H 0.9663 1.0001 0.3712 0.045 Uiso 1 1 calc R . . . .
C15 C 0.8797(6) 0.9259(10) 0.4059(4) 0.043(2) Uani 1 1 d . . . . .
H15 H 0.8668 1.0023 0.4226 0.052 Uiso 1 1 calc R . . . .
C8 C 1.1155(6) 0.0743(9) 0.3255(4) 0.044(2) Uani 1 1 d . . . . .
H8 H 1.1072 0.0011 0.3002 0.053 Uiso 1 1 calc R . . . .
C11 C 1.1393(6) 0.2916(10) 0.4008(4) 0.042(2) Uani 1 1 d . . . . .
H11 H 1.1465 0.3634 0.4271 0.050 Uiso 1 1 calc R . . . .
C14 C 0.8390(6) 0.8141(10) 0.4105(4) 0.044(2) Uani 1 1 d . . . . .
H14 H 0.7975 0.8161 0.4290 0.053 Uiso 1 1 calc R . . . .
C28 C 0.8670(4) 1.0695(8) 0.2155(4) 0.0298(18) Uani 1 1 d . . . . .
H28 H 0.8767 1.0986 0.2571 0.036 Uiso 1 1 calc R . . . .
C12 C 0.9231(5) 0.6949(9) 0.3588(4) 0.0313(18) Uani 1 1 d . . . . .
C9 C 1.1797(6) 0.0812(10) 0.3776(5) 0.046(2) Uani 1 1 d . . . . .
H9 H 1.2142 0.0120 0.3878 0.055 Uiso 1 1 calc R . . . .
C7 C 1.0630(5) 0.1759(9) 0.3106(4) 0.040(2) Uani 1 1 d . . . . .
H7 H 1.0193 0.1708 0.2754 0.049 Uiso 1 1 calc R . . . .
C10 C 1.1935(6) 0.1907(11) 0.4153(4) 0.047(2) Uani 1 1 d . . . . .
H10 H 1.2382 0.1969 0.4497 0.057 Uiso 1 1 calc R . . . .
C30 C 1.0216(5) 0.3644(8) 0.1600(4) 0.037(2) Uani 1 1 d . . . . .
H30A H 0.9892 0.3581 0.1886 0.055 Uiso 1 1 calc GR . . . .
H30B H 1.0726 0.3290 0.1798 0.055 Uiso 1 1 calc GR . . . .
H30C H 0.9976 0.3173 0.1219 0.055 Uiso 1 1 calc GR . . . .
C37 C 1.0562(6) 0.9025(9) 0.0877(4) 0.039(2) Uani 1 1 d . . . . .
H37 H 1.0133 0.9198 0.0494 0.047 Uiso 1 1 calc R . . . .
C39 C 1.0535(6) 1.0046(9) 0.1362(5) 0.049(3) Uani 1 1 d . . . . .
H39A H 1.0023 1.0051 0.1434 0.074 Uiso 1 1 calc GR . . . .
H39B H 1.0638 1.0872 0.1207 0.074 Uiso 1 1 calc GR . . . .
H39C H 1.0925 0.9863 0.1753 0.074 Uiso 1 1 calc GR . . . .
C38 C 1.1326(8) 0.9157(11) 0.0706(7) 0.081(4) Uani 1 1 d . . . . .
H38A H 1.1746 0.8811 0.1042 0.121 Uiso 1 1 calc GR . . . .
H38B H 1.1426 1.0049 0.0647 0.121 Uiso 1 1 calc GR . . . .
H38C H 1.1293 0.8695 0.0320 0.121 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 P1 2.299(2) . ?
Ru1 Cl1 2.420(2) . ?
Ru1 Cl2 2.4068(19) . ?
Ru1 C31 2.231(8) . ?
Ru1 C36 2.187(8) . ?
Ru1 C34 2.220(7) . ?
Ru1 C35 2.173(8) . ?
Ru1 C33 2.240(8) . ?
Ru1 C32 2.273(8) . ?
P1 O1 1.627(5) . ?
P1 C24 1.817(8) . ?
P1 C18 1.813(7) . ?
O1 C1 1.454(9) . ?
N1 N2 1.337(9) . ?
N1 C0AA 1.467(10) . ?
N1 C3 1.356(10) . ?
N2 C5 1.336(10) . ?
C31 C36 1.402(11) . ?
C31 C32 1.453(10) . ?
C31 C30 1.485(11) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C0AA 1.512(10) . ?
C4 H4 0.9300 . ?
C4 C5 1.412(12) . ?
C4 C3 1.391(11) . ?
C24 C29 1.389(10) . ?
C24 C25 1.391(11) . ?
C0AA H0AA 0.9700 . ?
C0AA H0AB 0.9700 . ?
C23 H23 0.9300 . ?
C23 C18 1.392(10) . ?
C23 C22 1.392(11) . ?
C18 C19 1.399(11) . ?
C36 H36 0.9300 . ?
C36 C35 1.436(12) . ?
C20 H20 0.9300 . ?
C20 C19 1.391(11) . ?
C20 C21 1.390(11) . ?
C19 H19 0.9300 . ?
C34 C35 1.415(10) . ?
C34 C33 1.413(11) . ?
C34 C37 1.516(12) . ?
C29 H29 0.9300 . ?
C29 C28 1.382(11) . ?
C5 C6 1.482(12) . ?
C17 H17 0.9300 . ?
C17 C16 1.391(13) . ?
C17 C12 1.395(12) . ?
C35 H35 0.9300 . ?
C33 H33 0.9300 . ?
C33 C32 1.386(10) . ?
C25 H25 0.9300 . ?
C25 C26 1.389(11) . ?
C3 C12 1.472(12) . ?
C13 H13 0.9300 . ?
C13 C14 1.394(13) . ?
C13 C12 1.420(11) . ?
C32 H32 0.9300 . ?
C27 H27 0.9300 . ?
C27 C26 1.381(12) . ?
C27 C28 1.375(12) . ?
C22 H22 0.9300 . ?
C22 C21 1.368(11) . ?
C21 H21 0.9300 . ?
C6 C11 1.365(12) . ?
C6 C7 1.396(13) . ?
C26 H26 0.9300 . ?
C16 H16 0.9300 . ?
C16 C15 1.407(13) . ?
C15 H15 0.9300 . ?
C15 C14 1.387(14) . ?
C8 H8 0.9300 . ?
C8 C9 1.371(13) . ?
C8 C7 1.385(13) . ?
C11 H11 0.9300 . ?
C11 C10 1.397(13) . ?
C14 H14 0.9300 . ?
C28 H28 0.9300 . ?
C9 H9 0.9300 . ?
C9 C10 1.388(14) . ?
C7 H7 0.9300 . ?
C10 H10 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C37 H37 0.9800 . ?
C37 C39 1.512(13) . ?
C37 C38 1.505(14) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Ru1 Cl1 87.64(7) . . ?
P1 Ru1 Cl2 88.45(7) . . ?
Cl2 Ru1 Cl1 89.45(7) . . ?
C31 Ru1 P1 123.6(2) . . ?
C31 Ru1 Cl1 87.7(2) . . ?
C31 Ru1 Cl2 147.6(2) . . ?
C31 Ru1 C33 66.9(3) . . ?
C31 Ru1 C32 37.6(3) . . ?
C36 Ru1 P1 95.0(2) . . ?
C36 Ru1 Cl1 111.0(2) . . ?
C36 Ru1 Cl2 159.4(2) . . ?
C36 Ru1 C31 37.0(3) . . ?
C36 Ru1 C34 68.8(3) . . ?
C36 Ru1 C33 78.5(3) . . ?
C36 Ru1 C32 66.3(3) . . ?
C34 Ru1 P1 112.5(2) . . ?
C34 Ru1 Cl1 159.9(2) . . ?
C34 Ru1 Cl2 91.1(2) . . ?
C34 Ru1 C31 81.1(3) . . ?
C34 Ru1 C33 36.9(3) . . ?
C34 Ru1 C32 66.4(3) . . ?
C35 Ru1 P1 89.9(2) . . ?
C35 Ru1 Cl1 148.9(2) . . ?
C35 Ru1 Cl2 121.5(2) . . ?
C35 Ru1 C31 68.1(3) . . ?
C35 Ru1 C36 38.5(3) . . ?
C35 Ru1 C34 37.6(3) . . ?
C35 Ru1 C33 66.1(3) . . ?
C35 Ru1 C32 78.3(3) . . ?
C33 Ru1 P1 149.1(2) . . ?
C33 Ru1 Cl1 123.02(19) . . ?
C33 Ru1 Cl2 88.1(2) . . ?
C33 Ru1 C32 35.8(3) . . ?
C32 Ru1 P1 160.71(19) . . ?
C32 Ru1 Cl1 94.6(2) . . ?
C32 Ru1 Cl2 110.70(19) . . ?
O1 P1 Ru1 112.6(2) . . ?
O1 P1 C24 98.3(3) . . ?
O1 P1 C18 103.3(3) . . ?
C24 P1 Ru1 115.6(3) . . ?
C18 P1 Ru1 123.3(2) . . ?
C18 P1 C24 100.1(4) . . ?
C1 O1 P1 116.8(4) . . ?
N2 N1 C0AA 117.7(6) . . ?
N2 N1 C3 113.4(7) . . ?
C3 N1 C0AA 128.9(7) . . ?
C5 N2 N1 105.2(6) . . ?
C36 C31 Ru1 69.8(5) . . ?
C36 C31 C32 117.4(7) . . ?
C36 C31 C30 122.8(7) . . ?
C32 C31 Ru1 72.7(4) . . ?
C32 C31 C30 119.7(7) . . ?
C30 C31 Ru1 130.5(6) . . ?
O1 C1 H1A 110.0 . . ?
O1 C1 H1B 110.0 . . ?
O1 C1 C0AA 108.6(6) . . ?
H1A C1 H1B 108.3 . . ?
C0AA C1 H1A 110.0 . . ?
C0AA C1 H1B 110.0 . . ?
C5 C4 H4 127.4 . . ?
C3 C4 H4 127.4 . . ?
C3 C4 C5 105.2(7) . . ?
C29 C24 P1 123.1(6) . . ?
C29 C24 C25 118.6(7) . . ?
C25 C24 P1 118.3(6) . . ?
N1 C0AA C1 113.4(6) . . ?
N1 C0AA H0AA 108.9 . . ?
N1 C0AA H0AB 108.9 . . ?
C1 C0AA H0AA 108.9 . . ?
C1 C0AA H0AB 108.9 . . ?
H0AA C0AA H0AB 107.7 . . ?
C18 C23 H23 119.5 . . ?
C22 C23 H23 119.5 . . ?
C22 C23 C18 121.0(7) . . ?
C23 C18 P1 124.9(6) . . ?
C23 C18 C19 117.9(7) . . ?
C19 C18 P1 117.2(5) . . ?
Ru1 C36 H36 129.4 . . ?
C31 C36 Ru1 73.2(4) . . ?
C31 C36 H36 119.6 . . ?
C31 C36 C35 120.7(7) . . ?
C35 C36 Ru1 70.2(4) . . ?
C35 C36 H36 119.6 . . ?
C19 C20 H20 120.5 . . ?
C21 C20 H20 120.5 . . ?
C21 C20 C19 118.9(8) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 C18 121.4(7) . . ?
C20 C19 H19 119.3 . . ?
C35 C34 Ru1 69.4(4) . . ?
C35 C34 C37 123.7(7) . . ?
C33 C34 Ru1 72.3(4) . . ?
C33 C34 C35 116.6(7) . . ?
C33 C34 C37 119.7(7) . . ?
C37 C34 Ru1 130.4(6) . . ?
C24 C29 H29 119.7 . . ?
C28 C29 C24 120.7(7) . . ?
C28 C29 H29 119.7 . . ?
N2 C5 C4 110.7(7) . . ?
N2 C5 C6 122.2(8) . . ?
C4 C5 C6 126.9(7) . . ?
C16 C17 H17 119.7 . . ?
C16 C17 C12 120.5(8) . . ?
C12 C17 H17 119.7 . . ?
Ru1 C35 H35 128.9 . . ?
C36 C35 Ru1 71.3(4) . . ?
C36 C35 H35 119.2 . . ?
C34 C35 Ru1 73.0(4) . . ?
C34 C35 C36 121.6(7) . . ?
C34 C35 H35 119.2 . . ?
Ru1 C33 H33 130.2 . . ?
C34 C33 Ru1 70.8(4) . . ?
C34 C33 H33 118.4 . . ?
C32 C33 Ru1 73.4(4) . . ?
C32 C33 C34 123.1(7) . . ?
C32 C33 H33 118.4 . . ?
C24 C25 H25 119.5 . . ?
C26 C25 C24 121.0(8) . . ?
C26 C25 H25 119.5 . . ?
N1 C3 C4 105.5(7) . . ?
N1 C3 C12 125.1(7) . . ?
C4 C3 C12 129.1(7) . . ?
C14 C13 H13 119.9 . . ?
C14 C13 C12 120.3(9) . . ?
C12 C13 H13 119.9 . . ?
Ru1 C32 H32 132.9 . . ?
C31 C32 Ru1 69.6(4) . . ?
C31 C32 H32 119.8 . . ?
C33 C32 Ru1 70.8(4) . . ?
C33 C32 C31 120.4(7) . . ?
C33 C32 H32 119.8 . . ?
C26 C27 H27 119.6 . . ?
C28 C27 H27 119.6 . . ?
C28 C27 C26 120.8(8) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 C23 120.0(7) . . ?
C21 C22 H22 120.0 . . ?
C20 C21 H21 119.6 . . ?
C22 C21 C20 120.7(8) . . ?
C22 C21 H21 119.6 . . ?
C11 C6 C5 120.3(8) . . ?
C11 C6 C7 119.8(8) . . ?
C7 C6 C5 119.7(8) . . ?
C25 C26 H26 120.5 . . ?
C27 C26 C25 119.0(8) . . ?
C27 C26 H26 120.5 . . ?
C17 C16 H16 120.0 . . ?
C17 C16 C15 119.9(9) . . ?
C15 C16 H16 120.0 . . ?
C16 C15 H15 119.9 . . ?
C14 C15 C16 120.2(9) . . ?
C14 C15 H15 119.9 . . ?
C9 C8 H8 119.8 . . ?
C9 C8 C7 120.3(10) . . ?
C7 C8 H8 119.8 . . ?
C6 C11 H11 119.6 . . ?
C6 C11 C10 120.8(9) . . ?
C10 C11 H11 119.6 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 119.9(9) . . ?
C15 C14 H14 120.0 . . ?
C29 C28 H28 120.0 . . ?
C27 C28 C29 119.9(7) . . ?
C27 C28 H28 120.0 . . ?
C17 C12 C3 120.1(8) . . ?
C17 C12 C13 119.0(8) . . ?
C13 C12 C3 120.6(8) . . ?
C8 C9 H9 119.8 . . ?
C8 C9 C10 120.5(9) . . ?
C10 C9 H9 119.8 . . ?
C6 C7 H7 120.2 . . ?
C8 C7 C6 119.7(9) . . ?
C8 C7 H7 120.2 . . ?
C11 C10 H10 120.6 . . ?
C9 C10 C11 118.9(9) . . ?
C9 C10 H10 120.6 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
C31 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C34 C37 H37 107.8 . . ?
C39 C37 C34 114.9(8) . . ?
C39 C37 H37 107.8 . . ?
C38 C37 C34 110.0(8) . . ?
C38 C37 H37 107.8 . . ?
C38 C37 C39 108.4(8) . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 P1 O1 C1 -65.3(5) . . . . ?
Ru1 P1 C24 C29 -110.4(6) . . . . ?
Ru1 P1 C24 C25 71.5(7) . . . . ?
Ru1 P1 C18 C23 -8.5(9) . . . . ?
Ru1 P1 C18 C19 175.2(5) . . . . ?
Ru1 C31 C36 C35 -53.8(7) . . . . ?
Ru1 C31 C32 C33 51.4(7) . . . . ?
Ru1 C36 C35 C34 -55.3(7) . . . . ?
Ru1 C34 C35 C36 54.5(7) . . . . ?
Ru1 C34 C33 C32 -53.9(7) . . . . ?
Ru1 C34 C37 C39 99.0(9) . . . . ?
Ru1 C34 C37 C38 -138.4(8) . . . . ?
Ru1 C33 C32 C31 -50.9(7) . . . . ?
P1 O1 C1 C0AA 176.3(5) . . . . ?
P1 C24 C29 C28 -178.0(6) . . . . ?
P1 C24 C25 C26 177.5(7) . . . . ?
P1 C18 C19 C20 176.4(7) . . . . ?
O1 P1 C24 C29 9.7(7) . . . . ?
O1 P1 C24 C25 -168.4(6) . . . . ?
O1 P1 C18 C23 -137.4(7) . . . . ?
O1 P1 C18 C19 46.2(7) . . . . ?
O1 C1 C0AA N1 -77.2(8) . . . . ?
N1 N2 C5 C4 -1.5(8) . . . . ?
N1 N2 C5 C6 174.2(7) . . . . ?
N1 C3 C12 C17 -128.2(8) . . . . ?
N1 C3 C12 C13 57.6(11) . . . . ?
N2 N1 C0AA C1 -78.6(9) . . . . ?
N2 N1 C3 C4 -0.2(9) . . . . ?
N2 N1 C3 C12 -174.8(7) . . . . ?
N2 C5 C6 C11 -161.6(8) . . . . ?
N2 C5 C6 C7 12.6(12) . . . . ?
C31 C36 C35 Ru1 55.2(7) . . . . ?
C31 C36 C35 C34 -0.1(12) . . . . ?
C4 C5 C6 C11 13.3(13) . . . . ?
C4 C5 C6 C7 -172.4(8) . . . . ?
C4 C3 C12 C17 58.4(12) . . . . ?
C4 C3 C12 C13 -115.7(10) . . . . ?
C24 P1 O1 C1 172.5(5) . . . . ?
C24 P1 C18 C23 121.5(7) . . . . ?
C24 P1 C18 C19 -54.8(7) . . . . ?
C24 C29 C28 C27 0.4(12) . . . . ?
C24 C25 C26 C27 0.9(14) . . . . ?
C0AA N1 N2 C5 178.0(6) . . . . ?
C0AA N1 C3 C4 -176.7(7) . . . . ?
C0AA N1 C3 C12 8.7(12) . . . . ?
C23 C18 C19 C20 -0.2(13) . . . . ?
C23 C22 C21 C20 -1.9(14) . . . . ?
C18 P1 O1 C1 70.0(6) . . . . ?
C18 P1 C24 C29 114.8(7) . . . . ?
C18 P1 C24 C25 -63.3(7) . . . . ?
C18 C23 C22 C21 1.4(14) . . . . ?
C36 C31 C32 Ru1 -55.4(6) . . . . ?
C36 C31 C32 C33 -4.0(11) . . . . ?
C19 C20 C21 C22 1.3(14) . . . . ?
C34 C33 C32 Ru1 52.8(7) . . . . ?
C34 C33 C32 C31 1.9(12) . . . . ?
C29 C24 C25 C26 -0.7(13) . . . . ?
C5 C4 C3 N1 -0.7(8) . . . . ?
C5 C4 C3 C12 173.6(8) . . . . ?
C5 C6 C11 C10 177.2(8) . . . . ?
C5 C6 C7 C8 -175.7(8) . . . . ?
C17 C16 C15 C14 -2.8(13) . . . . ?
C35 C34 C33 Ru1 55.0(6) . . . . ?
C35 C34 C33 C32 1.1(11) . . . . ?
C35 C34 C37 C39 8.3(12) . . . . ?
C35 C34 C37 C38 130.9(9) . . . . ?
C33 C34 C35 Ru1 -56.5(6) . . . . ?
C33 C34 C35 C36 -2.0(11) . . . . ?
C33 C34 C37 C39 -169.5(8) . . . . ?
C33 C34 C37 C38 -46.9(11) . . . . ?
C25 C24 C29 C28 0.1(11) . . . . ?
C3 N1 N2 C5 1.0(8) . . . . ?
C3 N1 C0AA C1 97.8(9) . . . . ?
C3 C4 C5 N2 1.4(9) . . . . ?
C3 C4 C5 C6 -174.0(7) . . . . ?
C32 C31 C36 Ru1 56.9(6) . . . . ?
C32 C31 C36 C35 3.1(11) . . . . ?
C22 C23 C18 P1 -176.7(7) . . . . ?
C22 C23 C18 C19 -0.4(12) . . . . ?
C21 C20 C19 C18 -0.2(14) . . . . ?
C6 C11 C10 C9 -3.6(14) . . . . ?
C26 C27 C28 C29 -0.2(13) . . . . ?
C16 C17 C12 C3 -173.9(7) . . . . ?
C16 C17 C12 C13 0.4(12) . . . . ?
C16 C15 C14 C13 2.4(13) . . . . ?
C8 C9 C10 C11 2.6(15) . . . . ?
C11 C6 C7 C8 -1.5(13) . . . . ?
C14 C13 C12 C17 -0.8(12) . . . . ?
C14 C13 C12 C3 173.4(7) . . . . ?
C28 C27 C26 C25 -0.4(14) . . . . ?
C12 C17 C16 C15 1.4(12) . . . . ?
C12 C13 C14 C15 -0.6(13) . . . . ?
C9 C8 C7 C6 0.5(14) . . . . ?
C7 C6 C11 C10 3.0(14) . . . . ?
C7 C8 C9 C10 -1.1(15) . . . . ?
C30 C31 C36 Ru1 -125.9(8) . . . . ?
C30 C31 C36 C35 -179.7(7) . . . . ?
C30 C31 C32 Ru1 127.3(7) . . . . ?
C30 C31 C32 C33 178.7(7) . . . . ?
C37 C34 C35 Ru1 125.6(8) . . . . ?
C37 C34 C35 C36 -179.9(7) . . . . ?
C37 C34 C33 Ru1 -127.0(7) . . . . ?
C37 C34 C33 C32 179.1(8) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
