# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2022

####################################################################### 
# 
# 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_sb-rs-60-o-s4
_database_code_depnum_ccdc_archive 'CCDC 2105127'
loop_
_audit_author_name
_audit_author_address
'Samaresh Bhattacharya'
;Department of Chemistry, Inorganic Chemistry Section, Jadavpur University, Kolkata, India
India
;
_audit_update_record             
;
2022-04-05 deposited with the CCDC.	2022-04-06 downloaded from the CCDC.
;
_audit_creation_date             2022-03-14
_audit_creation_method           
;
Olex2 1.5-dev
(compiled 2022.03.10 svn.r54f81f84 for OlexSys, GUI svn.r6444)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C37 H34 N6 O2 Ru, 2(Cl O4), 3[H2O]'
_chemical_formula_sum            'C37 H40 Cl2 N6 O13 Ru'
_chemical_formula_weight         948.72
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, z'

_cell_length_a                   30.054(3)
_cell_length_b                   11.0969(10)
_cell_length_c                   25.405(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8472.6(13)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    300
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.136
_cell_measurement_theta_min      1.956
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.565
_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            Red
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       Block
_exptl_crystal_F_000             3888
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1191
_diffrn_reflns_av_unetI/netI     0.0571
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            175782
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         1.956
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.953
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                12122
_reflns_number_total             15798
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       'APEX3 (Bruker)'
_computing_data_reduction        'APEX3 (Bruker)'
_computing_molecular_graphics    'Olex2 1.5-dev (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-dev (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.837
_refine_diff_density_min         -0.422
_refine_diff_density_rms         0.081
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.19(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1059
_refine_ls_number_reflns         15798
_refine_ls_number_restraints     90
_refine_ls_R_factor_all          0.0836
_refine_ls_R_factor_gt           0.0612
_refine_ls_restrained_S_all      1.065
_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)+(0.0633P)²+11.9093P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1359
_refine_ls_wR_factor_ref         0.1491
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.81(6)
 0.19(6)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Uiso/Uaniso restraints and constraints
Cl4 \\sim Cl4A: within 2A with sigma of 0.001 and sigma for terminal atoms of
0.002 within 2A
Uanis(O303) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
4. Rigid body (RIGU) restrains
 O6, Cl4A, O5, O7, O8
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 O404, Cl4, O401, O403, O402
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 Cl3, O301, O302, O304, O303
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Others
 Sof(Cl4A)=Sof(O5)=Sof(O6)=Sof(O7)=Sof(O8)=1-FVAR(1)
 Sof(Cl4)=Sof(O401)=Sof(O403)=Sof(O404)=Sof(O402)=FVAR(1)
 Fixed X: Ru1(0.76233)
 Fixed Y: Ru1(0.48866)
 Fixed Z: Ru1(0.53804)
6.a Aromatic/amide H refined with riding coordinates:
 C28(H28), C68(H68), C65(H65), C1(H1), C70(H70), C55(H55), C54(H54), C69(H69),
 C23(H23), C19(H19), C51(H51), C31(H31), C36(H36), C2(H2), C11(H11), C15(H15),
 C72(H72), C60(H60), C18(H18), C38(H38), C12(H12), C32(H32), C66(H66), C49(H49),
  C30(H30), C14(H14), C67(H67), C57(H57), C17(H17), C25(H25), C20(H20),
 C73(H73), C24(H24), C39(H39), C29(H29), C52(H52), C56(H56), C61(H61), C33(H33),
  C62(H62), C48(H48), C35(H35), C4(H4), C7(H7), C5(H5), C8(H8), C45(H45),
 C41(H41), C42(H42), C44(H44)
6.b Idealised Me refined as rotating group:
 C74(H74A,H74B,H74C), C37(H37A,H37B,H37C), C53(H53A,H53B,H53C), C9(H9A,H9B,
 H9C), C16(H16A,H16B,H16C), C46(H46A,H46B,H46C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.762330 0.488660 0.538040 0.03503(19) Uani 1 1 d . . . . .
Ru2 Ru 0.49750(2) 0.50653(6) 0.43356(4) 0.03409(18) Uani 1 1 d . . . . .
Cl1 Cl 0.58828(14) 0.0204(3) 0.35941(16) 0.0753(10) Uani 1 1 d . . . . .
Cl4 Cl 0.6672(12) 0.993(2) 0.5963(16) 0.058(3) Uani 0.55(3) 1 d . U P A 1
Cl3 Cl 0.94373(15) 0.4423(3) 0.5422(3) 0.0975(13) Uani 1 1 d . . . . .
Cl2 Cl 0.81906(14) 0.9413(3) 0.4304(2) 0.0977(13) Uani 1 1 d . . . . .
N5 N 0.7950(2) 0.3357(7) 0.5629(3) 0.039(2) Uani 1 1 d . . . . .
N12 N 0.5456(3) 0.5168(7) 0.3707(3) 0.0388(19) Uani 1 1 d . . . . .
N9 N 0.4643(3) 0.6588(7) 0.4057(3) 0.0385(19) Uani 1 1 d . . . . .
N1 N 0.7983(3) 0.6248(8) 0.5735(3) 0.042(2) Uani 1 1 d . . . . .
N8 N 0.4517(3) 0.4700(8) 0.4905(4) 0.042(2) Uani 1 1 d . . . . .
N7 N 0.4604(3) 0.3700(7) 0.4000(4) 0.045(2) Uani 1 1 d . . . . .
C28 C 0.7972(4) 0.1178(10) 0.5556(5) 0.056(3) Uani 1 1 d . . . . .
H28 H 0.785847 0.047766 0.540559 0.068 Uiso 1 1 calc R U . . .
N11 N 0.5421(3) 0.4039(8) 0.4788(3) 0.042(2) Uani 1 1 d . . . . .
N10 N 0.5294(2) 0.6360(7) 0.4707(3) 0.0334(18) Uani 1 1 d . . . . .
N4 N 0.7304(3) 0.3612(7) 0.4981(3) 0.0385(19) Uani 1 1 d . . . . .
O2 O 0.8366(4) 0.3298(12) 0.2836(5) 0.101(4) Uani 1 1 d . . . . .
C27 C 0.7793(3) 0.2306(9) 0.5441(4) 0.044(2) Uani 1 1 d . . . . .
N6 N 0.7160(3) 0.4743(8) 0.5996(3) 0.043(2) Uani 1 1 d . . . . .
N2 N 0.8085(3) 0.5334(9) 0.4820(3) 0.044(2) Uani 1 1 d . . . . .
C68 C 0.5447(4) 0.2854(9) 0.4820(5) 0.053(3) Uani 1 1 d . . . . .
H68 H 0.526713 0.238913 0.460168 0.064 Uiso 1 1 calc R U . . .
C65 C 0.5959(4) 0.4181(11) 0.5480(5) 0.056(3) Uani 1 1 d . . . . .
H65 H 0.613224 0.464485 0.570551 0.068 Uiso 1 1 calc R U . . .
C59 C 0.5188(3) 0.7507(9) 0.4608(4) 0.039(2) Uani 1 1 d . . . . .
C40 C 0.4642(3) 0.3158(10) 0.3477(4) 0.043(2) Uani 1 1 d . . . . .
C1 C 0.8267(4) 0.6754(9) 0.5425(5) 0.055(3) Uani 1 1 d . . . . .
H1 H 0.842525 0.743556 0.552792 0.066 Uiso 1 1 calc R U . . .
C70 C 0.5952(4) 0.4165(12) 0.3161(5) 0.058(3) Uani 1 1 d . . . . .
H70 H 0.608188 0.344022 0.305931 0.069 Uiso 1 1 calc R U . . .
C55 C 0.4109(4) 0.7735(12) 0.3587(5) 0.057(3) Uani 1 1 d . . . . .
H55 H 0.386185 0.774014 0.336627 0.068 Uiso 1 1 calc R U . . .
C54 C 0.4299(3) 0.6633(10) 0.3735(4) 0.042(2) Uani 1 1 d . . . . .
H54 H 0.417966 0.592010 0.360409 0.050 Uiso 1 1 calc R U . . .
O4 O 0.4347(3) 0.6779(9) 0.6891(3) 0.080(3) Uani 1 1 d . . . . .
C69 C 0.5661(3) 0.4183(11) 0.3538(4) 0.046(3) Uani 1 1 d . . . . .
H69 H 0.559072 0.345670 0.370005 0.055 Uiso 1 1 calc R U . . .
C23 C 0.6728(4) 0.3078(10) 0.4396(5) 0.053(3) Uani 1 1 d . . . . .
H23 H 0.649140 0.328918 0.417862 0.064 Uiso 1 1 calc R U . . .
N3 N 0.7174(3) 0.5918(8) 0.4954(3) 0.042(2) Uani 1 1 d . . . . .
C63 C 0.5615(3) 0.6050(10) 0.5073(4) 0.040(2) Uani 1 1 d . . . . .
C47 C 0.4485(3) 0.5250(8) 0.5421(4) 0.041(2) Uani 1 1 d . . . . .
C64 C 0.5665(3) 0.4746(9) 0.5122(4) 0.043(2) Uani 1 1 d . . . . .
C10 C 0.8129(3) 0.4802(9) 0.4303(5) 0.045(2) Uani 1 1 d . . . . .
C19 C 0.6583(4) 0.7034(12) 0.4263(5) 0.067(4) Uani 1 1 d . . . . .
H19 H 0.639468 0.740668 0.402216 0.080 Uiso 1 1 calc R U . . .
C51 C 0.4336(3) 0.7032(10) 0.5950(4) 0.051(3) Uani 1 1 d . . . . .
H51 H 0.426212 0.784325 0.597639 0.061 Uiso 1 1 calc R U . . .
C31 C 0.8307(4) 0.3263(12) 0.5955(4) 0.051(3) Uani 1 1 d . . . . .
H31 H 0.843019 0.396838 0.608879 0.061 Uiso 1 1 calc R U . . .
C36 C 0.7063(4) 0.3700(11) 0.6243(5) 0.056(3) Uani 1 1 d . . . . .
H36 H 0.717521 0.298014 0.611085 0.067 Uiso 1 1 calc R U . . .
C2 C 0.8328(4) 0.6239(10) 0.4930(4) 0.048(3) Uani 1 1 d . . . . .
H2 H 0.853516 0.654158 0.469201 0.058 Uiso 1 1 calc R U . . .
C11 C 0.8222(4) 0.3586(9) 0.4245(4) 0.047(3) Uani 1 1 d . . . . .
H11 H 0.823394 0.309065 0.453984 0.056 Uiso 1 1 calc R U . . .
C15 C 0.8102(4) 0.5484(12) 0.3855(4) 0.055(3) Uani 1 1 d . . . . .
H15 H 0.803860 0.630036 0.389191 0.066 Uiso 1 1 calc R U . . .
C72 C 0.5864(4) 0.6264(11) 0.3075(5) 0.061(3) Uani 1 1 d . . . . .
H72 H 0.593019 0.700337 0.292140 0.073 Uiso 1 1 calc R U . . .
C60 C 0.5422(4) 0.8412(11) 0.4859(6) 0.065(4) Uani 1 1 d . . . . .
H60 H 0.536356 0.921457 0.477897 0.078 Uiso 1 1 calc R U . . .
C18 C 0.6846(4) 0.7711(12) 0.4606(6) 0.070(4) Uani 1 1 d . . . . .
H18 H 0.682156 0.854670 0.461378 0.084 Uiso 1 1 calc R U . . .
C71 C 0.6070(5) 0.5238(15) 0.2908(5) 0.070(4) Uani 1 1 d . . . . .
C38 C 0.4304(4) 0.3242(9) 0.4297(5) 0.055(3) Uani 1 1 d . . . . .
H38 H 0.412305 0.260940 0.418691 0.066 Uiso 1 1 calc R U . . .
C12 C 0.8295(4) 0.3108(12) 0.3752(5) 0.064(3) Uani 1 1 d . . . . .
H12 H 0.835747 0.229176 0.371575 0.076 Uiso 1 1 calc R U . . .
C32 C 0.6960(3) 0.5750(9) 0.6188(4) 0.046(3) Uani 1 1 d . . . . .
H32 H 0.700740 0.647723 0.601564 0.055 Uiso 1 1 calc R U . . .
C66 C 0.5987(4) 0.2936(11) 0.5496(5) 0.064(3) Uani 1 1 d . . . . .
H66 H 0.618036 0.255945 0.572974 0.077 Uiso 1 1 calc R U . . .
C22 C 0.6969(3) 0.3946(10) 0.4657(4) 0.040(2) Uani 1 1 d . . . . .
C49 C 0.4484(4) 0.5131(11) 0.6344(5) 0.061(3) Uani 1 1 d . . . . .
H49 H 0.450927 0.466864 0.664812 0.073 Uiso 1 1 calc R U . . .
C21 C 0.6908(4) 0.5248(9) 0.4630(4) 0.042(2) Uani 1 1 d . . . . .
C30 C 0.8497(4) 0.2181(12) 0.6100(5) 0.059(3) Uani 1 1 d . . . . .
H30 H 0.873843 0.216274 0.632851 0.071 Uiso 1 1 calc R U . . .
C14 C 0.8161(5) 0.5054(14) 0.3371(5) 0.077(4) Uani 1 1 d . . . . .
H14 H 0.812559 0.555663 0.308119 0.093 Uiso 1 1 calc R U . . .
C67 C 0.5733(4) 0.2277(11) 0.5169(5) 0.064(3) Uani 1 1 d . . . . .
H67 H 0.574901 0.143984 0.517572 0.077 Uiso 1 1 calc R U . . .
C34 C 0.6620(5) 0.4697(15) 0.6898(6) 0.083(5) Uani 1 1 d . . . . .
C57 C 0.4642(4) 0.8732(10) 0.4096(5) 0.060(3) Uani 1 1 d . . . . .
H57 H 0.476898 0.944646 0.421363 0.072 Uiso 1 1 calc R U . . .
C17 C 0.7139(4) 0.7138(10) 0.4929(4) 0.051(3) Uani 1 1 d . . . . .
H17 H 0.732288 0.760125 0.514283 0.061 Uiso 1 1 calc R U . . .
C25 C 0.7195(4) 0.1538(10) 0.4800(4) 0.050(3) Uani 1 1 d . . . . .
H25 H 0.727629 0.073713 0.484792 0.060 Uiso 1 1 calc R U . . .
C20 C 0.6609(4) 0.5812(11) 0.4293(5) 0.055(3) Uani 1 1 d . . . . .
H20 H 0.642374 0.534374 0.408296 0.066 Uiso 1 1 calc R U . . .
C13 C 0.8276(4) 0.3848(14) 0.3301(5) 0.068(4) Uani 1 1 d . . . . .
C74 C 0.6399(5) 0.5228(14) 0.2452(6) 0.097(5) Uani 1 1 d . . . . .
H74A H 0.668341 0.551123 0.257276 0.146 Uiso 1 1 calc R U . . .
H74B H 0.629290 0.574414 0.217650 0.146 Uiso 1 1 calc R U . . .
H74C H 0.642936 0.442102 0.232040 0.146 Uiso 1 1 calc R U . . .
C37 C 0.6331(8) 0.466(2) 0.7390(8) 0.171(11) Uani 1 1 d . . . . .
H37A H 0.646785 0.513074 0.766253 0.257 Uiso 1 1 calc R U . . .
H37B H 0.630033 0.384155 0.750632 0.257 Uiso 1 1 calc R U . . .
H37C H 0.604276 0.498538 0.731059 0.257 Uiso 1 1 calc R U . . .
C73 C 0.5558(3) 0.6187(10) 0.3475(4) 0.046(3) Uani 1 1 d . . . . .
H73 H 0.541672 0.688779 0.358618 0.055 Uiso 1 1 calc R U . . .
C58 C 0.4821(3) 0.7640(8) 0.4261(5) 0.046(3) Uani 1 1 d . . . . .
C50 C 0.4395(4) 0.6328(12) 0.6390(4) 0.054(3) Uani 1 1 d . . . . .
C24 C 0.6846(4) 0.1869(10) 0.4466(5) 0.063(3) Uani 1 1 d . . . . .
H24 H 0.668929 0.127351 0.428759 0.075 Uiso 1 1 calc R U . . .
C26 C 0.7411(3) 0.2461(9) 0.5053(4) 0.042(3) Uani 1 1 d . . . . .
C39 C 0.4263(4) 0.3774(10) 0.4815(4) 0.050(3) Uani 1 1 d . . . . .
H39 H 0.406876 0.347237 0.506687 0.060 Uiso 1 1 calc R U . . .
C29 C 0.8326(4) 0.1147(12) 0.5902(5) 0.063(3) Uani 1 1 d . . . . .
H29 H 0.844796 0.040987 0.600101 0.076 Uiso 1 1 calc R U . . .
C52 C 0.4392(3) 0.6468(10) 0.5454(5) 0.049(3) Uani 1 1 d . . . . .
H52 H 0.436621 0.692239 0.514789 0.058 Uiso 1 1 calc R U . . .
C56 C 0.4277(4) 0.8784(11) 0.3759(6) 0.063(3) Uani 1 1 d . . . . .
H56 H 0.415457 0.951754 0.365623 0.076 Uiso 1 1 calc R U . . .
C53 C 0.4195(6) 0.7982(15) 0.6945(5) 0.090(5) Uani 1 1 d . . . . .
H53A H 0.438187 0.850929 0.674252 0.135 Uiso 1 1 calc R U . . .
H53B H 0.420554 0.821339 0.730871 0.135 Uiso 1 1 calc R U . . .
H53C H 0.389433 0.803886 0.681939 0.135 Uiso 1 1 calc R U . . .
C61 C 0.5744(5) 0.8125(12) 0.5232(5) 0.065(4) Uani 1 1 d . . . . .
H61 H 0.589003 0.872598 0.541982 0.078 Uiso 1 1 calc R U . . .
C3 C 0.7930(3) 0.6727(11) 0.6247(4) 0.049(3) Uani 1 1 d . . . . .
C33 C 0.6690(4) 0.5744(13) 0.6628(5) 0.060(3) Uani 1 1 d . . . . .
H33 H 0.655557 0.645382 0.674012 0.072 Uiso 1 1 calc R U . . .
C62 C 0.5838(4) 0.6955(10) 0.5314(5) 0.055(3) Uani 1 1 d . . . . .
H62 H 0.606578 0.675842 0.554694 0.067 Uiso 1 1 calc R U . . .
C48 C 0.4537(4) 0.4577(11) 0.5859(5) 0.055(3) Uani 1 1 d . . . . .
H48 H 0.460737 0.376267 0.583674 0.066 Uiso 1 1 calc R U . . .
C35 C 0.6793(5) 0.3678(15) 0.6702(6) 0.082(4) Uani 1 1 d . . . . .
H35 H 0.673562 0.294769 0.686839 0.098 Uiso 1 1 calc R U . . .
C4 C 0.7936(4) 0.6018(13) 0.6678(5) 0.064(3) Uani 1 1 d . . . . .
H4 H 0.798091 0.519436 0.663739 0.077 Uiso 1 1 calc R U . . .
C7 C 0.7774(4) 0.8426(12) 0.6824(6) 0.074(4) Uani 1 1 d . . . . .
H7 H 0.770513 0.923733 0.686429 0.088 Uiso 1 1 calc R U . . .
C5 C 0.7877(4) 0.6491(17) 0.7193(5) 0.082(5) Uani 1 1 d . . . . .
H5 H 0.789389 0.598870 0.748582 0.098 Uiso 1 1 calc R U . . .
C6 C 0.7792(4) 0.7742(16) 0.7254(5) 0.071(4) Uani 1 1 d . . . . .
C8 C 0.7856(4) 0.7985(12) 0.6307(5) 0.062(3) Uani 1 1 d . . . . .
H8 H 0.786001 0.850121 0.601863 0.075 Uiso 1 1 calc R U . . .
C9 C 0.7760(6) 0.761(2) 0.8169(8) 0.132(8) Uani 1 1 d . . . . .
H9A H 0.753792 0.698968 0.815954 0.199 Uiso 1 1 calc R U . . .
H9B H 0.771031 0.811705 0.847051 0.199 Uiso 1 1 calc R U . . .
H9C H 0.804966 0.725237 0.819307 0.199 Uiso 1 1 calc R U . . .
O1 O 0.7732(3) 0.8312(12) 0.7706(4) 0.109(4) Uani 1 1 d . . . . .
C45 C 0.4672(4) 0.3906(14) 0.3048(5) 0.062(3) Uani 1 1 d . . . . .
H45 H 0.469316 0.473758 0.308587 0.075 Uiso 1 1 calc R U . . .
C41 C 0.4644(5) 0.1931(12) 0.3447(5) 0.074(4) Uani 1 1 d . . . . .
H41 H 0.463145 0.146924 0.375193 0.089 Uiso 1 1 calc R U . . .
C43 C 0.4652(5) 0.2133(19) 0.2521(7) 0.094(6) Uani 1 1 d . . . . .
C42 C 0.4665(6) 0.1372(17) 0.2954(7) 0.099(6) Uani 1 1 d . . . . .
H42 H 0.468730 0.054027 0.291940 0.119 Uiso 1 1 calc R U . . .
C44 C 0.4670(4) 0.3354(17) 0.2539(5) 0.080(5) Uani 1 1 d . . . . .
H44 H 0.468067 0.381265 0.223349 0.096 Uiso 1 1 calc R U . . .
C16 C 0.8378(7) 0.4006(19) 0.2418(7) 0.131(7) Uani 1 1 d . . . . .
H16A H 0.809117 0.436713 0.236624 0.196 Uiso 1 1 calc R U . . .
H16B H 0.845586 0.353889 0.211372 0.196 Uiso 1 1 calc R U . . .
H16C H 0.859624 0.462634 0.247090 0.196 Uiso 1 1 calc R U . . .
O201 O 0.8221(8) 1.0583(14) 0.4349(11) 0.246(11) Uani 1 1 d . . . . .
O204 O 0.8577(5) 0.8892(16) 0.4629(7) 0.173(7) Uani 1 1 d . . . . .
O202 O 0.7853(5) 0.9002(13) 0.4615(8) 0.184(8) Uani 1 1 d . . . . .
O203 O 0.8234(5) 0.887(2) 0.3825(7) 0.243(13) Uani 1 1 d . . . . .
O3 O 0.4665(5) 0.1499(19) 0.2024(6) 0.175(8) Uani 1 1 d . . . . .
C46 C 0.4568(7) 0.191(3) 0.1600(7) 0.214(18) Uani 1 1 d . . . . .
H46A H 0.427354 0.223720 0.161414 0.321 Uiso 1 1 calc R U . . .
H46B H 0.457886 0.127749 0.134101 0.321 Uiso 1 1 calc R U . . .
H46C H 0.477588 0.252891 0.150734 0.321 Uiso 1 1 calc R U . . .
O102 O 0.6216(6) -0.0384(14) 0.3842(8) 0.186(8) Uani 1 1 d . . . . .
O103 O 0.6061(7) 0.099(2) 0.3313(11) 0.280(16) Uani 1 1 d . . . . .
O101 O 0.5641(7) -0.064(2) 0.3380(9) 0.230(11) Uani 1 1 d . . . . .
O401 O 0.6419(11) 1.032(2) 0.5600(11) 0.096(8) Uani 0.55(3) 1 d . . P A 1
O403 O 0.6517(10) 0.864(2) 0.6144(15) 0.089(7) Uani 0.55(3) 1 d . . P A 1
O301 O 0.9447(9) 0.355(2) 0.5752(11) 0.258(10) Uani 1 1 d . . . . .
O302 O 0.9322(9) 0.5459(17) 0.5397(12) 0.248(9) Uani 1 1 d . . . . .
O304 O 0.9047(9) 0.402(2) 0.5166(12) 0.280(11) Uani 1 1 d . . . . .
O404 O 0.7110(8) 0.950(2) 0.5704(11) 0.116(9) Uani 0.55(3) 1 d . . P A 1
O104 O 0.5607(9) 0.0879(19) 0.3918(9) 0.247(12) Uani 1 1 d . . . . .
O402 O 0.6939(13) 1.048(3) 0.6333(14) 0.142(12) Uani 0.55(3) 1 d . . P A 1
O303 O 0.9762(9) 0.423(3) 0.5113(13) 0.321(15) Uani 1 1 d . U . . .
Cl4A Cl 0.6722(15) 0.969(3) 0.599(2) 0.058(3) Uani 0.45(3) 1 d . U P A 2
O5 O 0.6562(12) 1.012(5) 0.5416(16) 0.120(11) Uani 0.45(3) 1 d . . P A 2
O6 O 0.6705(12) 0.871(4) 0.608(2) 0.094(9) Uani 0.45(3) 1 d . . P A 2
O7 O 0.7079(13) 1.035(4) 0.6017(18) 0.131(12) Uani 0.45(3) 1 d . . P A 2
O8 O 0.6412(13) 1.052(3) 0.6341(14) 0.141(14) Uani 0.45(3) 1 d . . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N5 2.061(8) . ?
Ru1 N1 2.066(8) . ?
Ru1 N4 1.987(8) . ?
Ru1 N6 2.099(9) . ?
Ru1 N2 2.050(8) . ?
Ru1 N3 2.075(8) . ?
Ru2 N12 2.157(8) . ?
Ru2 N9 2.086(8) . ?
Ru2 N8 2.037(9) . ?
Ru2 N7 2.065(8) . ?
Ru2 N11 2.102(8) . ?
Ru2 N10 1.968(7) . ?
Cl1 O102 1.351(13) . ?
Cl1 O103 1.244(17) . ?
Cl1 O101 1.308(16) . ?
Cl1 O104 1.387(19) . ?
Cl4 O401 1.27(4) . ?
Cl4 O403 1.58(4) . ?
Cl4 O404 1.55(5) . ?
Cl4 O402 1.37(4) . ?
Cl3 O301 1.29(2) . ?
Cl3 O302 1.202(18) . ?
Cl3 O304 1.41(3) . ?
Cl3 O303 1.27(2) . ?
Cl2 O201 1.307(17) . ?
Cl2 O204 1.536(15) . ?
Cl2 O202 1.363(14) . ?
Cl2 O203 1.365(16) . ?
N5 C27 1.346(12) . ?
N5 C31 1.360(13) . ?
N12 C69 1.326(13) . ?
N12 C73 1.311(13) . ?
N9 C54 1.321(13) . ?
N9 C58 1.384(13) . ?
N1 C1 1.290(14) . ?
N1 C3 1.414(14) . ?
N8 C47 1.449(14) . ?
N8 C39 1.299(13) . ?
N7 C40 1.461(13) . ?
N7 C38 1.283(14) . ?
C28 H28 0.9300 . ?
C28 C27 1.394(14) . ?
C28 C29 1.382(17) . ?
N11 C68 1.319(13) . ?
N11 C64 1.369(13) . ?
N10 C59 1.336(12) . ?
N10 C63 1.382(13) . ?
N4 C22 1.352(13) . ?
N4 C26 1.330(12) . ?
O2 C13 1.356(16) . ?
O2 C16 1.322(19) . ?
C27 C26 1.522(14) . ?
N6 C36 1.349(14) . ?
N6 C32 1.360(13) . ?
N2 C10 1.446(14) . ?
N2 C2 1.272(14) . ?
C68 H68 0.9300 . ?
C68 C67 1.392(16) . ?
C65 H65 0.9300 . ?
C65 C64 1.414(15) . ?
C65 C66 1.385(16) . ?
C59 C60 1.382(16) . ?
C59 C58 1.420(15) . ?
C40 C45 1.375(17) . ?
C40 C41 1.363(16) . ?
C1 H1 0.9300 . ?
C1 C2 1.394(16) . ?
C70 H70 0.9300 . ?
C70 C69 1.297(15) . ?
C70 C71 1.400(19) . ?
C55 H55 0.9300 . ?
C55 C54 1.401(14) . ?
C55 C56 1.341(17) . ?
C54 H54 0.9300 . ?
O4 C50 1.376(14) . ?
O4 C53 1.419(17) . ?
C69 H69 0.9300 . ?
C23 H23 0.9300 . ?
C23 C22 1.377(15) . ?
C23 C24 1.399(16) . ?
N3 C21 1.367(13) . ?
N3 C17 1.359(13) . ?
C63 C64 1.460(14) . ?
C63 C62 1.355(14) . ?
C47 C52 1.384(14) . ?
C47 C48 1.351(16) . ?
C10 C11 1.386(14) . ?
C10 C15 1.368(16) . ?
C19 H19 0.9300 . ?
C19 C18 1.397(18) . ?
C19 C20 1.361(16) . ?
C51 H51 0.9300 . ?
C51 C50 1.376(15) . ?
C51 C52 1.415(16) . ?
C31 H31 0.9300 . ?
C31 C30 1.379(16) . ?
C36 H36 0.9300 . ?
C36 C35 1.420(16) . ?
C2 H2 0.9300 . ?
C11 H11 0.9300 . ?
C11 C12 1.379(16) . ?
C15 H15 0.9300 . ?
C15 C14 1.331(18) . ?
C72 H72 0.9300 . ?
C72 C71 1.364(18) . ?
C72 C73 1.374(15) . ?
C60 H60 0.9300 . ?
C60 C61 1.392(18) . ?
C18 H18 0.9300 . ?
C18 C17 1.361(16) . ?
C71 C74 1.522(18) . ?
C38 H38 0.9300 . ?
C38 C39 1.447(16) . ?
C12 H12 0.9300 . ?
C12 C13 1.410(18) . ?
C32 H32 0.9300 . ?
C32 C33 1.380(15) . ?
C66 H66 0.9300 . ?
C66 C67 1.344(17) . ?
C22 C21 1.458(14) . ?
C49 H49 0.9300 . ?
C49 C50 1.360(16) . ?
C49 C48 1.386(18) . ?
C21 C20 1.391(15) . ?
C30 H30 0.9300 . ?
C30 C29 1.354(17) . ?
C14 H14 0.9300 . ?
C14 C13 1.394(19) . ?
C67 H67 0.9300 . ?
C34 C37 1.52(2) . ?
C34 C33 1.366(19) . ?
C34 C35 1.34(2) . ?
C57 H57 0.9300 . ?
C57 C58 1.391(14) . ?
C57 C56 1.393(18) . ?
C17 H17 0.9300 . ?
C25 H25 0.9300 . ?
C25 C24 1.397(17) . ?
C25 C26 1.373(15) . ?
C20 H20 0.9300 . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C73 H73 0.9300 . ?
C24 H24 0.9300 . ?
C39 H39 0.9300 . ?
C29 H29 0.9300 . ?
C52 H52 0.9300 . ?
C56 H56 0.9300 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C61 H61 0.9300 . ?
C61 C62 1.346(17) . ?
C3 C4 1.348(16) . ?
C3 C8 1.422(17) . ?
C33 H33 0.9300 . ?
C62 H62 0.9300 . ?
C48 H48 0.9300 . ?
C35 H35 0.9300 . ?
C4 H4 0.9300 . ?
C4 C5 1.420(18) . ?
C7 H7 0.9300 . ?
C7 C6 1.33(2) . ?
C7 C8 1.424(18) . ?
C5 H5 0.9300 . ?
C5 C6 1.42(2) . ?
C6 O1 1.322(16) . ?
C8 H8 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C9 O1 1.41(2) . ?
C45 H45 0.9300 . ?
C45 C44 1.429(17) . ?
C41 H41 0.9300 . ?
C41 C42 1.40(2) . ?
C43 C42 1.39(2) . ?
C43 C44 1.36(2) . ?
C43 O3 1.445(19) . ?
C42 H42 0.9300 . ?
C44 H44 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
O3 C46 1.20(2) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
Cl4A O5 1.61(6) . ?
Cl4A O6 1.12(5) . ?
Cl4A O7 1.30(6) . ?
Cl4A O8 1.58(6) . ?

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
N5 Ru1 N1 102.6(3) . . ?
N5 Ru1 N6 91.5(3) . . ?
N5 Ru1 N3 157.6(3) . . ?
N1 Ru1 N6 94.5(3) . . ?
N1 Ru1 N3 99.5(3) . . ?
N4 Ru1 N5 78.5(3) . . ?
N4 Ru1 N1 175.0(3) . . ?
N4 Ru1 N6 90.3(3) . . ?
N4 Ru1 N2 98.4(3) . . ?
N4 Ru1 N3 79.2(3) . . ?
N2 Ru1 N5 95.1(3) . . ?
N2 Ru1 N1 76.8(4) . . ?
N2 Ru1 N6 170.0(4) . . ?
N2 Ru1 N3 86.8(3) . . ?
N3 Ru1 N6 90.0(3) . . ?
N9 Ru2 N12 91.5(3) . . ?
N9 Ru2 N11 158.4(3) . . ?
N8 Ru2 N12 171.4(3) . . ?
N8 Ru2 N9 94.6(3) . . ?
N8 Ru2 N7 77.5(4) . . ?
N8 Ru2 N11 86.3(3) . . ?
N7 Ru2 N12 95.4(3) . . ?
N7 Ru2 N9 101.3(3) . . ?
N7 Ru2 N11 99.9(3) . . ?
N11 Ru2 N12 90.3(3) . . ?
N10 Ru2 N12 89.5(3) . . ?
N10 Ru2 N9 78.7(3) . . ?
N10 Ru2 N8 97.7(3) . . ?
N10 Ru2 N7 175.1(3) . . ?
N10 Ru2 N11 79.8(3) . . ?
O102 Cl1 O104 115.2(13) . . ?
O103 Cl1 O102 106.6(14) . . ?
O103 Cl1 O101 120.2(17) . . ?
O103 Cl1 O104 102.8(16) . . ?
O101 Cl1 O102 104.9(14) . . ?
O101 Cl1 O104 107.6(15) . . ?
O401 Cl4 O403 110(3) . . ?
O401 Cl4 O404 108(3) . . ?
O401 Cl4 O402 134(3) . . ?
O404 Cl4 O403 95(2) . . ?
O402 Cl4 O403 112(3) . . ?
O402 Cl4 O404 86(3) . . ?
O301 Cl3 O304 94.6(15) . . ?
O302 Cl3 O301 140(2) . . ?
O302 Cl3 O304 92.1(17) . . ?
O302 Cl3 O303 110.7(19) . . ?
O303 Cl3 O301 104.9(15) . . ?
O303 Cl3 O304 108(2) . . ?
O201 Cl2 O204 105.9(15) . . ?
O201 Cl2 O202 109.5(13) . . ?
O201 Cl2 O203 120.6(17) . . ?
O202 Cl2 O204 97.2(11) . . ?
O202 Cl2 O203 116.2(14) . . ?
O203 Cl2 O204 103.9(10) . . ?
C27 N5 Ru1 116.0(6) . . ?
C27 N5 C31 115.3(9) . . ?
C31 N5 Ru1 128.8(8) . . ?
C69 N12 Ru2 120.5(7) . . ?
C73 N12 Ru2 122.3(7) . . ?
C73 N12 C69 117.2(9) . . ?
C54 N9 Ru2 128.0(7) . . ?
C54 N9 C58 120.2(9) . . ?
C58 N9 Ru2 111.8(7) . . ?
C1 N1 Ru1 113.5(8) . . ?
C1 N1 C3 118.3(9) . . ?
C3 N1 Ru1 128.0(7) . . ?
C47 N8 Ru2 127.1(7) . . ?
C39 N8 Ru2 115.4(8) . . ?
C39 N8 C47 117.0(9) . . ?
C40 N7 Ru2 129.5(7) . . ?
C38 N7 Ru2 115.3(8) . . ?
C38 N7 C40 115.2(9) . . ?
C27 C28 H28 121.5 . . ?
C29 C28 H28 121.5 . . ?
C29 C28 C27 116.9(11) . . ?
C68 N11 Ru2 127.6(8) . . ?
C68 N11 C64 120.2(9) . . ?
C64 N11 Ru2 111.7(7) . . ?
C59 N10 Ru2 119.3(7) . . ?
C59 N10 C63 122.0(8) . . ?
C63 N10 Ru2 118.7(7) . . ?
C22 N4 Ru1 118.4(7) . . ?
C26 N4 Ru1 119.7(7) . . ?
C26 N4 C22 121.8(9) . . ?
C16 O2 C13 115.9(15) . . ?
N5 C27 C28 124.7(9) . . ?
N5 C27 C26 113.4(8) . . ?
C28 C27 C26 121.8(10) . . ?
C36 N6 Ru1 123.8(7) . . ?
C36 N6 C32 116.2(9) . . ?
C32 N6 Ru1 119.9(7) . . ?
C10 N2 Ru1 126.4(7) . . ?
C2 N2 Ru1 115.3(8) . . ?
C2 N2 C10 118.0(9) . . ?
N11 C68 H68 118.9 . . ?
N11 C68 C67 122.2(11) . . ?
C67 C68 H68 118.9 . . ?
C64 C65 H65 120.0 . . ?
C66 C65 H65 120.0 . . ?
C66 C65 C64 120.0(11) . . ?
N10 C59 C60 119.0(10) . . ?
N10 C59 C58 113.6(9) . . ?
C60 C59 C58 127.3(10) . . ?
C45 C40 N7 118.5(10) . . ?
C41 C40 N7 117.6(10) . . ?
C41 C40 C45 123.9(11) . . ?
N1 C1 H1 121.3 . . ?
N1 C1 C2 117.3(10) . . ?
C2 C1 H1 121.3 . . ?
C69 C70 H70 120.1 . . ?
C69 C70 C71 119.8(12) . . ?
C71 C70 H70 120.1 . . ?
C54 C55 H55 119.4 . . ?
C56 C55 H55 119.4 . . ?
C56 C55 C54 121.1(11) . . ?
N9 C54 C55 121.2(10) . . ?
N9 C54 H54 119.4 . . ?
C55 C54 H54 119.4 . . ?
C50 O4 C53 117.7(10) . . ?
N12 C69 H69 117.8 . . ?
C70 C69 N12 124.5(11) . . ?
C70 C69 H69 117.8 . . ?
C22 C23 H23 120.8 . . ?
C22 C23 C24 118.4(11) . . ?
C24 C23 H23 120.8 . . ?
C21 N3 Ru1 113.2(7) . . ?
C17 N3 Ru1 128.6(7) . . ?
C17 N3 C21 118.0(9) . . ?
N10 C63 C64 112.2(9) . . ?
C62 C63 N10 117.8(10) . . ?
C62 C63 C64 130.1(10) . . ?
C52 C47 N8 118.7(10) . . ?
C48 C47 N8 120.4(9) . . ?
C48 C47 C52 120.8(11) . . ?
N11 C64 C65 118.6(10) . . ?
N11 C64 C63 117.3(9) . . ?
C65 C64 C63 124.1(10) . . ?
C11 C10 N2 120.8(10) . . ?
C15 C10 N2 121.6(9) . . ?
C15 C10 C11 117.5(11) . . ?
C18 C19 H19 121.0 . . ?
C20 C19 H19 121.0 . . ?
C20 C19 C18 117.9(11) . . ?
C50 C51 H51 121.4 . . ?
C50 C51 C52 117.2(11) . . ?
C52 C51 H51 121.4 . . ?
N5 C31 H31 118.1 . . ?
N5 C31 C30 123.8(11) . . ?
C30 C31 H31 118.1 . . ?
N6 C36 H36 119.3 . . ?
N6 C36 C35 121.4(12) . . ?
C35 C36 H36 119.3 . . ?
N2 C2 C1 116.5(9) . . ?
N2 C2 H2 121.7 . . ?
C1 C2 H2 121.7 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.2(10) . . ?
C12 C11 H11 119.9 . . ?
C10 C15 H15 117.9 . . ?
C14 C15 C10 124.2(12) . . ?
C14 C15 H15 117.9 . . ?
C71 C72 H72 120.6 . . ?
C71 C72 C73 118.9(12) . . ?
C73 C72 H72 120.6 . . ?
C59 C60 H60 120.0 . . ?
C59 C60 C61 120.1(12) . . ?
C61 C60 H60 120.0 . . ?
C19 C18 H18 120.3 . . ?
C17 C18 C19 119.4(12) . . ?
C17 C18 H18 120.3 . . ?
C70 C71 C74 120.5(14) . . ?
C72 C71 C70 116.9(12) . . ?
C72 C71 C74 122.6(14) . . ?
N7 C38 H38 122.2 . . ?
N7 C38 C39 115.6(9) . . ?
C39 C38 H38 122.2 . . ?
C11 C12 H12 119.7 . . ?
C11 C12 C13 120.5(12) . . ?
C13 C12 H12 119.7 . . ?
N6 C32 H32 118.4 . . ?
N6 C32 C33 123.2(11) . . ?
C33 C32 H32 118.4 . . ?
C65 C66 H66 120.3 . . ?
C67 C66 C65 119.4(11) . . ?
C67 C66 H66 120.3 . . ?
N4 C22 C23 119.6(10) . . ?
N4 C22 C21 113.2(9) . . ?
C23 C22 C21 127.2(10) . . ?
C50 C49 H49 118.9 . . ?
C50 C49 C48 122.1(11) . . ?
C48 C49 H49 118.9 . . ?
N3 C21 C22 116.0(9) . . ?
N3 C21 C20 120.2(10) . . ?
C20 C21 C22 123.8(10) . . ?
C31 C30 H30 120.6 . . ?
C29 C30 C31 118.9(11) . . ?
C29 C30 H30 120.6 . . ?
C15 C14 H14 120.1 . . ?
C15 C14 C13 119.7(13) . . ?
C13 C14 H14 120.1 . . ?
C68 C67 H67 120.2 . . ?
C66 C67 C68 119.6(11) . . ?
C66 C67 H67 120.2 . . ?
C33 C34 C37 121.5(15) . . ?
C35 C34 C37 120.3(15) . . ?
C35 C34 C33 118.1(12) . . ?
C58 C57 H57 119.1 . . ?
C58 C57 C56 121.8(11) . . ?
C56 C57 H57 119.1 . . ?
N3 C17 C18 122.9(11) . . ?
N3 C17 H17 118.5 . . ?
C18 C17 H17 118.5 . . ?
C24 C25 H25 121.8 . . ?
C26 C25 H25 121.8 . . ?
C26 C25 C24 116.3(10) . . ?
C19 C20 C21 121.4(11) . . ?
C19 C20 H20 119.3 . . ?
C21 C20 H20 119.3 . . ?
O2 C13 C12 115.9(13) . . ?
O2 C13 C14 126.4(14) . . ?
C14 C13 C12 117.7(12) . . ?
C71 C74 H74A 109.5 . . ?
C71 C74 H74B 109.5 . . ?
C71 C74 H74C 109.5 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C34 C37 H37A 109.5 . . ?
C34 C37 H37B 109.5 . . ?
C34 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N12 C73 C72 122.9(11) . . ?
N12 C73 H73 118.6 . . ?
C72 C73 H73 118.6 . . ?
N9 C58 C59 116.4(9) . . ?
N9 C58 C57 118.1(10) . . ?
C57 C58 C59 125.4(10) . . ?
C51 C50 O4 122.2(11) . . ?
C49 C50 O4 117.0(11) . . ?
C49 C50 C51 120.7(11) . . ?
C23 C24 H24 119.3 . . ?
C25 C24 C23 121.3(10) . . ?
C25 C24 H24 119.3 . . ?
N4 C26 C27 112.4(9) . . ?
N4 C26 C25 122.5(10) . . ?
C25 C26 C27 125.2(10) . . ?
N8 C39 C38 115.7(10) . . ?
N8 C39 H39 122.1 . . ?
C38 C39 H39 122.1 . . ?
C28 C29 H29 119.8 . . ?
C30 C29 C28 120.5(12) . . ?
C30 C29 H29 119.8 . . ?
C47 C52 C51 120.7(11) . . ?
C47 C52 H52 119.7 . . ?
C51 C52 H52 119.7 . . ?
C55 C56 C57 117.4(11) . . ?
C55 C56 H56 121.3 . . ?
C57 C56 H56 121.3 . . ?
O4 C53 H53A 109.5 . . ?
O4 C53 H53B 109.5 . . ?
O4 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C60 C61 H61 120.9 . . ?
C62 C61 C60 118.2(11) . . ?
C62 C61 H61 120.9 . . ?
N1 C3 C8 119.0(10) . . ?
C4 C3 N1 121.8(11) . . ?
C4 C3 C8 119.2(12) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.1(12) . . ?
C34 C33 H33 120.0 . . ?
C63 C62 H62 118.6 . . ?
C61 C62 C63 122.7(12) . . ?
C61 C62 H62 118.6 . . ?
C47 C48 C49 118.4(11) . . ?
C47 C48 H48 120.8 . . ?
C49 C48 H48 120.8 . . ?
C36 C35 H35 119.6 . . ?
C34 C35 C36 120.8(14) . . ?
C34 C35 H35 119.6 . . ?
C3 C4 H4 119.0 . . ?
C3 C4 C5 122.1(14) . . ?
C5 C4 H4 119.0 . . ?
C6 C7 H7 118.1 . . ?
C6 C7 C8 123.7(13) . . ?
C8 C7 H7 118.1 . . ?
C4 C5 H5 120.5 . . ?
C4 C5 C6 118.9(13) . . ?
C6 C5 H5 120.5 . . ?
C7 C6 C5 118.3(13) . . ?
O1 C6 C7 115.7(16) . . ?
O1 C6 C5 125.9(15) . . ?
C3 C8 C7 117.6(13) . . ?
C3 C8 H8 121.2 . . ?
C7 C8 H8 121.2 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
O1 C9 H9A 109.5 . . ?
O1 C9 H9B 109.5 . . ?
O1 C9 H9C 109.5 . . ?
C6 O1 C9 116.9(15) . . ?
C40 C45 H45 121.4 . . ?
C40 C45 C44 117.2(14) . . ?
C44 C45 H45 121.4 . . ?
C40 C41 H41 120.2 . . ?
C40 C41 C42 119.6(14) . . ?
C42 C41 H41 120.2 . . ?
C42 C43 O3 113.4(18) . . ?
C44 C43 C42 125.3(15) . . ?
C44 C43 O3 121(2) . . ?
C41 C42 H42 122.0 . . ?
C43 C42 C41 116.0(16) . . ?
C43 C42 H42 122.0 . . ?
C45 C44 H44 121.3 . . ?
C43 C44 C45 117.4(15) . . ?
C43 C44 H44 121.3 . . ?
O2 C16 H16A 109.5 . . ?
O2 C16 H16B 109.5 . . ?
O2 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C46 O3 C43 126(3) . . ?
O3 C46 H46A 109.5 . . ?
O3 C46 H46B 109.5 . . ?
O3 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
O6 Cl4A O5 117(5) . . ?
O6 Cl4A O7 125(4) . . ?
O6 Cl4A O8 115(5) . . ?
O7 Cl4A O5 97(4) . . ?
O7 Cl4A O8 98(4) . . ?
O8 Cl4A O5 99(2) . . ?

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 N5 C27 C28 179.0(9) . . . . ?
Ru1 N5 C27 C26 2.9(11) . . . . ?
Ru1 N5 C31 C30 179.3(8) . . . . ?
Ru1 N1 C1 C2 -7.2(13) . . . . ?
Ru1 N1 C3 C4 54.5(14) . . . . ?
Ru1 N1 C3 C8 -123.9(10) . . . . ?
Ru1 N4 C22 C23 -176.8(8) . . . . ?
Ru1 N4 C22 C21 3.1(11) . . . . ?
Ru1 N4 C26 C27 -1.7(11) . . . . ?
Ru1 N4 C26 C25 178.2(8) . . . . ?
Ru1 N6 C36 C35 171.4(9) . . . . ?
Ru1 N6 C32 C33 -172.8(8) . . . . ?
Ru1 N2 C10 C11 -61.4(12) . . . . ?
Ru1 N2 C10 C15 121.6(10) . . . . ?
Ru1 N2 C2 C1 3.9(13) . . . . ?
Ru1 N3 C21 C22 2.7(11) . . . . ?
Ru1 N3 C21 C20 -175.8(8) . . . . ?
Ru1 N3 C17 C18 175.6(9) . . . . ?
Ru2 N12 C69 C70 179.6(9) . . . . ?
Ru2 N12 C73 C72 179.9(9) . . . . ?
Ru2 N9 C54 C55 179.3(7) . . . . ?
Ru2 N9 C58 C59 0.6(11) . . . . ?
Ru2 N9 C58 C57 178.0(8) . . . . ?
Ru2 N8 C47 C52 64.2(12) . . . . ?
Ru2 N8 C47 C48 -116.9(10) . . . . ?
Ru2 N8 C39 C38 -7.9(13) . . . . ?
Ru2 N7 C40 C45 -48.0(13) . . . . ?
Ru2 N7 C40 C41 132.2(10) . . . . ?
Ru2 N7 C38 C39 1.6(12) . . . . ?
Ru2 N11 C68 C67 -174.4(9) . . . . ?
Ru2 N11 C64 C65 175.6(8) . . . . ?
Ru2 N11 C64 C63 -6.3(11) . . . . ?
Ru2 N10 C59 C60 -178.2(8) . . . . ?
Ru2 N10 C59 C58 4.7(11) . . . . ?
Ru2 N10 C63 C64 0.0(11) . . . . ?
Ru2 N10 C63 C62 178.4(8) . . . . ?
N5 C27 C26 N4 -0.9(12) . . . . ?
N5 C27 C26 C25 179.3(10) . . . . ?
N5 C31 C30 C29 1.0(18) . . . . ?
N1 C1 C2 N2 2.3(16) . . . . ?
N1 C3 C4 C5 -179.2(11) . . . . ?
N1 C3 C8 C7 176.0(10) . . . . ?
N8 C47 C52 C51 176.9(9) . . . . ?
N8 C47 C48 C49 -177.1(11) . . . . ?
N7 C40 C45 C44 -174.7(10) . . . . ?
N7 C40 C41 C42 178.0(13) . . . . ?
N7 C38 C39 N8 4.2(15) . . . . ?
C28 C27 C26 N4 -177.1(10) . . . . ?
C28 C27 C26 C25 3.0(16) . . . . ?
N11 C68 C67 C66 2(2) . . . . ?
N10 C59 C60 C61 -3.6(17) . . . . ?
N10 C59 C58 N9 -3.4(13) . . . . ?
N10 C59 C58 C57 179.5(10) . . . . ?
N10 C63 C64 N11 4.4(13) . . . . ?
N10 C63 C64 C65 -177.6(10) . . . . ?
N10 C63 C62 C61 3.4(17) . . . . ?
N4 C22 C21 N3 -3.8(13) . . . . ?
N4 C22 C21 C20 174.7(10) . . . . ?
C27 N5 C31 C30 -1.2(15) . . . . ?
C27 C28 C29 C30 -2.6(18) . . . . ?
N6 C36 C35 C34 1(2) . . . . ?
N6 C32 C33 C34 1.3(18) . . . . ?
N2 C10 C11 C12 -175.2(10) . . . . ?
N2 C10 C15 C14 176.7(12) . . . . ?
C68 N11 C64 C65 3.1(15) . . . . ?
C68 N11 C64 C63 -178.8(10) . . . . ?
C65 C66 C67 C68 0(2) . . . . ?
C59 N10 C63 C64 178.8(9) . . . . ?
C59 N10 C63 C62 -2.9(14) . . . . ?
C59 C60 C61 C62 4(2) . . . . ?
C40 N7 C38 C39 -179.9(9) . . . . ?
C40 C45 C44 C43 -1.9(19) . . . . ?
C40 C41 C42 C43 -4(2) . . . . ?
C1 N1 C3 C4 -131.0(12) . . . . ?
C1 N1 C3 C8 50.7(14) . . . . ?
C54 N9 C58 C59 179.4(9) . . . . ?
C54 N9 C58 C57 -3.3(15) . . . . ?
C54 C55 C56 C57 -1.1(19) . . . . ?
C69 N12 C73 C72 -0.5(16) . . . . ?
C69 C70 C71 C72 0(2) . . . . ?
C69 C70 C71 C74 -177.9(12) . . . . ?
C23 C22 C21 N3 176.0(10) . . . . ?
C23 C22 C21 C20 -5.5(18) . . . . ?
N3 C21 C20 C19 2.0(18) . . . . ?
C63 N10 C59 C60 3.0(14) . . . . ?
C63 N10 C59 C58 -174.0(8) . . . . ?
C47 N8 C39 C38 -179.8(9) . . . . ?
C64 N11 C68 C67 -3.2(18) . . . . ?
C64 C65 C66 C67 -0.2(19) . . . . ?
C64 C63 C62 C61 -178.6(12) . . . . ?
C10 N2 C2 C1 178.0(9) . . . . ?
C10 C11 C12 C13 -0.2(18) . . . . ?
C10 C15 C14 C13 -3(2) . . . . ?
C19 C18 C17 N3 -3(2) . . . . ?
C31 N5 C27 C28 -0.5(15) . . . . ?
C31 N5 C27 C26 -176.6(8) . . . . ?
C31 C30 C29 C28 1.1(19) . . . . ?
C36 N6 C32 C33 3.4(15) . . . . ?
C2 N2 C10 C11 125.2(11) . . . . ?
C2 N2 C10 C15 -51.7(14) . . . . ?
C11 C10 C15 C14 -0.4(18) . . . . ?
C11 C12 C13 O2 178.1(12) . . . . ?
C11 C12 C13 C14 -2.8(19) . . . . ?
C15 C10 C11 C12 1.9(16) . . . . ?
C15 C14 C13 O2 -176.8(13) . . . . ?
C15 C14 C13 C12 4(2) . . . . ?
C60 C59 C58 N9 179.9(10) . . . . ?
C60 C59 C58 C57 2.8(18) . . . . ?
C60 C61 C62 C63 -4(2) . . . . ?
C18 C19 C20 C21 -4(2) . . . . ?
C71 C70 C69 N12 0.4(19) . . . . ?
C71 C72 C73 N12 0.5(19) . . . . ?
C38 N7 C40 C45 133.8(11) . . . . ?
C38 N7 C40 C41 -46.1(14) . . . . ?
C32 N6 C36 C35 -4.5(16) . . . . ?
C66 C65 C64 N11 -1.4(17) . . . . ?
C66 C65 C64 C63 -179.4(11) . . . . ?
C22 N4 C26 C27 -179.1(8) . . . . ?
C22 N4 C26 C25 0.8(15) . . . . ?
C22 C23 C24 C25 1.2(18) . . . . ?
C22 C21 C20 C19 -176.4(12) . . . . ?
C21 N3 C17 C18 1.3(17) . . . . ?
C17 N3 C21 C22 177.9(9) . . . . ?
C17 N3 C21 C20 -0.6(15) . . . . ?
C20 C19 C18 C17 4(2) . . . . ?
C37 C34 C33 C32 178.9(17) . . . . ?
C37 C34 C35 C36 179.9(17) . . . . ?
C73 N12 C69 C70 0.0(16) . . . . ?
C73 C72 C71 C70 0(2) . . . . ?
C73 C72 C71 C74 177.4(13) . . . . ?
C58 N9 C54 C55 0.8(15) . . . . ?
C58 C59 C60 C61 173.0(11) . . . . ?
C58 C57 C56 C55 -1.5(19) . . . . ?
C50 C51 C52 C47 2.5(15) . . . . ?
C50 C49 C48 C47 -2.2(19) . . . . ?
C24 C23 C22 N4 -1.6(16) . . . . ?
C24 C23 C22 C21 178.6(11) . . . . ?
C24 C25 C26 N4 -1.2(16) . . . . ?
C24 C25 C26 C27 178.7(10) . . . . ?
C26 N4 C22 C23 0.7(15) . . . . ?
C26 N4 C22 C21 -179.5(9) . . . . ?
C26 C25 C24 C23 0.2(17) . . . . ?
C39 N8 C47 C52 -125.0(11) . . . . ?
C39 N8 C47 C48 53.9(14) . . . . ?
C29 C28 C27 N5 2.4(17) . . . . ?
C29 C28 C27 C26 178.2(10) . . . . ?
C52 C47 C48 C49 1.7(17) . . . . ?
C52 C51 C50 O4 -179.7(10) . . . . ?
C52 C51 C50 C49 -2.9(17) . . . . ?
C56 C55 C54 N9 1.5(17) . . . . ?
C56 C57 C58 N9 3.7(17) . . . . ?
C56 C57 C58 C59 -179.3(11) . . . . ?
C53 O4 C50 C51 5.4(18) . . . . ?
C53 O4 C50 C49 -171.5(12) . . . . ?
C3 N1 C1 C2 177.5(9) . . . . ?
C3 C4 C5 C6 2(2) . . . . ?
C33 C34 C35 C36 4(2) . . . . ?
C62 C63 C64 N11 -173.7(11) . . . . ?
C62 C63 C64 C65 4.3(19) . . . . ?
C48 C47 C52 C51 -2.0(16) . . . . ?
C48 C49 C50 O4 179.8(11) . . . . ?
C48 C49 C50 C51 2.8(19) . . . . ?
C35 C34 C33 C32 -5(2) . . . . ?
C4 C3 C8 C7 -2.4(17) . . . . ?
C4 C5 C6 C7 -1(2) . . . . ?
C4 C5 C6 O1 -179.6(12) . . . . ?
C7 C6 O1 C9 -178.6(13) . . . . ?
C5 C6 O1 C9 1(2) . . . . ?
C6 C7 C8 C3 4.4(19) . . . . ?
C8 C3 C4 C5 -0.9(18) . . . . ?
C8 C7 C6 C5 -3(2) . . . . ?
C8 C7 C6 O1 176.3(12) . . . . ?
C45 C40 C41 C42 -2(2) . . . . ?
C41 C40 C45 C44 5.1(18) . . . . ?
C42 C43 C44 C45 -5(2) . . . . ?
C42 C43 O3 C46 164(2) . . . . ?
C44 C43 C42 C41 8(3) . . . . ?
C44 C43 O3 C46 -22(3) . . . . ?
C16 O2 C13 C12 -175.5(15) . . . . ?
C16 O2 C13 C14 6(2) . . . . ?
O3 C43 C42 C41 -178.7(15) . . . . ?
O3 C43 C44 C45 -177.6(12) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 256 electrons were 
found in a volume of 1502Å³ in 1 void per unit cell. 
This is consistent with the presence of 3[H2O] per Formula Unit 
which account for 240 electrons per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.440 -0.250 0.234 751.2 127.9 '12 H2O'
2 -0.384 0.250 0.734 751.2 127.4 '12 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.81(6)
2 0.19(6)

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

data_sb-am-36_a
_database_code_depnum_ccdc_archive 'CCDC 2105125'
loop_
_audit_author_name
_audit_author_address
'Samaresh Bhattacharya'
;Department of Chemistry, Inorganic Chemistry Section, Jadavpur University, Kolkata, India
India
;
_audit_update_record             
;
2022-04-05 deposited with the CCDC.	2022-04-06 downloaded from the CCDC.
;
_audit_creation_date             2022-03-14
_audit_creation_method           
;
Olex2 1.5-dev
(compiled 2022.03.10 svn.r54f81f84 for OlexSys, GUI svn.r6444)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C31 H29 N5 O3 Ru, 2(Cl O4), H2 O, C2 H6 O'
_chemical_formula_sum            'C33 H37 Cl2 N5 O13 Ru'
_chemical_formula_weight         883.64
_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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.3948(10)
_cell_length_b                   12.4038(10)
_cell_length_c                   14.2466(12)
_cell_angle_alpha                83.522(3)
_cell_angle_beta                 69.862(2)
_cell_angle_gamma                82.487(3)
_cell_volume                     1869.3(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    234
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.165
_cell_measurement_theta_min      2.408
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.633
_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            Red
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       Block
_exptl_crystal_F_000             904
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_av_unetI/netI     0.0152
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            65108
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.165
_diffrn_reflns_theta_min         2.408
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7615
_reflns_number_total             8246
_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       ?
_computing_data_collection       'APEX3 (Bruker)'
_computing_data_reduction        'APEX3 (Bruker)'
_computing_molecular_graphics    'Olex2 1.5-dev (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-dev (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.635
_refine_diff_density_min         -0.542
_refine_diff_density_rms         0.051
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         8246
_refine_ls_number_restraints     48
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0328
_refine_ls_restrained_S_all      1.102
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0422P)²+1.0419P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0852
_refine_ls_wR_factor_ref         0.0886
_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, All O(H) groups, All O(H,H) groups
2. Restrained distances
 O32-C33 \\sim O32A-C33A
 with sigma of 0.02
 O32-C34 \\sim O32A-C34A
 with sigma of 0.04
 C33-C34 \\sim C33A-C34A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O32) \\sim Ueq, Uanis(O32A) \\sim Ueq, Uanis(C33) \\sim Ueq, Uanis(C34A)
\\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(C33A) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 O32, C34, C33
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Others
 Fixed Sof: O32(0.45) H32(0.45) C33(0.45) H33A(0.45) H33B(0.45) H33C(0.45)
 C34(0.45) H34A(0.45) H34B(0.45) O32A(0.55) H32A(0.55) C33A(0.55) H33D(0.55)
 H33E(0.55) H33F(0.55) C34A(0.55) H34C(0.55) H34D(0.55)
6.a Free rotating group:
 O101(H10A,H10B)
6.b Rotating group:
 O3(H3A,H3B)
6.c Secondary CH2 refined with riding coordinates:
 C34(H34A,H34B), C34A(H34C,H34D)
6.d Aromatic/amide H refined with riding coordinates:
 C1(H1), C31(H31), C2(H2), C15(H15), C14(H14), C12(H12), C11(H11), C8(H8),
 C7(H7), C5(H5), C4(H4), C20(H20), C19(H19), C18(H18), C17(H17), C23(H23),
 C24(H24), C25(H25), C28(H28), C29(H29), C30(H30)
6.e Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C33(H33A,H33B,H33C), C33A(H33D,H33E,H33F)
6.f Idealised tetrahedral OH refined as rotating group:
 O32(H32), O32A(H32A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.80308(2) 0.22261(2) 0.68619(2) 0.03752(6) Uani 1 1 d . . . . .
Cl1 Cl 0.26655(9) 0.44775(8) 0.79964(7) 0.0806(2) Uani 1 1 d . . . . .
Cl2 Cl 0.72409(7) -0.22288(6) 0.75441(5) 0.06373(17) Uani 1 1 d . . . . .
O7 O 0.2858(6) 0.5259(3) 0.7198(4) 0.208(3) Uani 1 1 d . . . . .
N1 N 0.84211(17) 0.10250(14) 0.58761(13) 0.0417(4) Uani 1 1 d . . . . .
N4 N 0.76476(18) 0.32222(15) 0.79397(13) 0.0443(4) Uani 1 1 d . . . . .
N3 N 0.63610(18) 0.16952(16) 0.78460(14) 0.0479(4) Uani 1 1 d . . . . .
N5 N 0.94873(18) 0.32171(15) 0.62602(14) 0.0451(4) Uani 1 1 d . . . . .
O3 O 0.69690(16) 0.33965(13) 0.61759(12) 0.0523(4) Uani 1 1 d . . . . .
H3A H 0.671686 0.395472 0.651841 0.079 Uiso 1 1 d R U . . .
H3B H 0.629508 0.314112 0.620989 0.079 Uiso 1 1 d R U . . .
C1 C 0.8958(2) 0.01136(18) 0.61605(18) 0.0487(5) Uani 1 1 d . . . . .
H1 H 0.910595 -0.051260 0.581764 0.058 Uiso 1 1 calc R U . . .
N2 N 0.90214(16) 0.10620(14) 0.74333(13) 0.0409(4) Uani 1 1 d . . . . .
O1 O 0.6765(2) 0.12115(18) 0.26004(16) 0.0766(6) Uani 1 1 d . . . . .
C31 C 1.0416(2) 0.3168(2) 0.53761(19) 0.0543(6) Uani 1 1 d . . . . .
H31 H 1.045244 0.262598 0.496332 0.065 Uiso 1 1 calc R U . . .
O4 O 0.3684(4) 0.4464(5) 0.8311(3) 0.1750(19) Uani 1 1 d . . . . .
O5 O 0.2644(3) 0.3492(3) 0.7592(3) 0.1318(13) Uani 1 1 d . . . . .
O6 O 0.1557(4) 0.4703(4) 0.8733(4) 0.203(2) Uani 1 1 d . . . . .
O10 O 0.7232(3) -0.1443(2) 0.8204(2) 0.1024(9) Uani 1 1 d . . . . .
O9 O 0.8501(3) -0.2615(3) 0.7045(2) 0.1143(10) Uani 1 1 d . . . . .
O8 O 0.6536(3) -0.3076(2) 0.8130(2) 0.1014(8) Uani 1 1 d . . . . .
O11 O 0.6699(3) -0.1736(3) 0.6833(3) 0.1294(12) Uani 1 1 d . . . . .
C2 C 0.9302(2) 0.01367(18) 0.70290(18) 0.0480(5) Uani 1 1 d . . . . .
H2 H 0.969900 -0.046787 0.728638 0.058 Uiso 1 1 calc R U . . .
C10 C 0.9299(2) 0.11836(18) 0.83237(17) 0.0436(4) Uani 1 1 d . . . . .
C15 C 0.8586(3) 0.0712(2) 0.92344(19) 0.0550(6) Uani 1 1 d . . . . .
H15 H 0.799045 0.025399 0.925916 0.066 Uiso 1 1 calc R U . . .
C14 C 0.8758(3) 0.0922(2) 1.0104(2) 0.0627(7) Uani 1 1 d . . . . .
H14 H 0.828671 0.059460 1.071407 0.075 Uiso 1 1 calc R U . . .
C13 C 0.9625(3) 0.1612(2) 1.0076(2) 0.0592(6) Uani 1 1 d . . . . .
C12 C 1.0365(3) 0.2058(2) 0.9165(2) 0.0632(7) Uani 1 1 d . . . . .
H12 H 1.097599 0.250095 0.913858 0.076 Uiso 1 1 calc R U . . .
C11 C 1.0193(3) 0.1843(2) 0.8289(2) 0.0574(6) Uani 1 1 d . . . . .
H11 H 1.068598 0.214704 0.767539 0.069 Uiso 1 1 calc R U . . .
O2 O 0.9705(2) 0.1793(2) 1.09801(17) 0.0814(6) Uani 1 1 d . . . . .
C16 C 1.0376(4) 0.2673(3) 1.0998(3) 0.0973(12) Uani 1 1 d . . . . .
H16A H 1.123859 0.253470 1.058571 0.146 Uiso 1 1 calc R U . . .
H16B H 1.032996 0.274425 1.167370 0.146 Uiso 1 1 calc R U . . .
H16C H 1.001273 0.333487 1.074543 0.146 Uiso 1 1 calc R U . . .
C3 C 0.8032(2) 0.10539(18) 0.50175(16) 0.0450(5) Uani 1 1 d . . . . .
C8 C 0.7539(3) 0.0177(2) 0.4810(2) 0.0590(6) Uani 1 1 d . . . . .
H8 H 0.747650 -0.046362 0.522397 0.071 Uiso 1 1 calc R U . . .
C7 C 0.7143(3) 0.0257(2) 0.3991(2) 0.0680(7) Uani 1 1 d . . . . .
H7 H 0.681177 -0.033198 0.385772 0.082 Uiso 1 1 calc R U . . .
C6 C 0.7232(3) 0.1207(2) 0.3363(2) 0.0587(6) Uani 1 1 d . . . . .
C9 C 0.6542(4) 0.2246(3) 0.2105(3) 0.0830(10) Uani 1 1 d . . . . .
H9A H 0.608(4) 0.209(4) 0.173(4) 0.125 Uiso 1 1 d . U . . .
H9B H 0.733(5) 0.254(4) 0.169(4) 0.125 Uiso 1 1 d . U . . .
H9C H 0.601(4) 0.273(4) 0.261(4) 0.125 Uiso 1 1 d . U . . .
C5 C 0.7732(3) 0.2071(2) 0.35557(18) 0.0554(6) Uani 1 1 d . . . . .
H5 H 0.780757 0.270595 0.313332 0.066 Uiso 1 1 calc R U . . .
C4 C 0.8127(2) 0.19944(19) 0.43847(17) 0.0494(5) Uani 1 1 d . . . . .
H4 H 0.845922 0.258407 0.451536 0.059 Uiso 1 1 calc R U . . .
C22 C 0.6625(2) 0.3096(2) 0.87565(17) 0.0522(6) Uani 1 1 d . . . . .
C21 C 0.5890(2) 0.2237(2) 0.86995(18) 0.0542(6) Uani 1 1 d . . . . .
C20 C 0.4777(3) 0.1984(3) 0.9434(2) 0.0831(10) Uani 1 1 d . . . . .
H20 H 0.446492 0.235259 1.001678 0.100 Uiso 1 1 calc R U . . .
C19 C 0.4138(4) 0.1186(3) 0.9294(3) 0.1057(14) Uani 1 1 d . . . . .
H19 H 0.338851 0.101305 0.978248 0.127 Uiso 1 1 calc R U . . .
C18 C 0.4602(3) 0.0648(3) 0.8440(3) 0.0924(12) Uani 1 1 d . . . . .
H18 H 0.417096 0.011054 0.833609 0.111 Uiso 1 1 calc R U . . .
C17 C 0.5725(3) 0.0914(2) 0.7729(2) 0.0634(7) Uani 1 1 d . . . . .
H17 H 0.604990 0.053833 0.715111 0.076 Uiso 1 1 calc R U . . .
C23 C 0.6367(3) 0.3763(3) 0.9537(2) 0.0729(8) Uani 1 1 d . . . . .
H23 H 0.566555 0.368727 1.010894 0.087 Uiso 1 1 calc R U . . .
C24 C 0.7157(4) 0.4532(3) 0.9452(2) 0.0821(10) Uani 1 1 d . . . . .
H24 H 0.699762 0.497305 0.997731 0.098 Uiso 1 1 calc R U . . .
C25 C 0.8192(3) 0.4667(2) 0.8600(2) 0.0726(8) Uani 1 1 d . . . . .
H25 H 0.872233 0.519840 0.854441 0.087 Uiso 1 1 calc R U . . .
C26 C 0.8421(2) 0.39946(19) 0.78322(19) 0.0511(5) Uani 1 1 d . . . . .
C27 C 0.9449(2) 0.40112(19) 0.68666(19) 0.0505(5) Uani 1 1 d . . . . .
C28 C 1.0337(3) 0.4755(2) 0.6574(3) 0.0667(7) Uani 1 1 d . . . . .
H28 H 1.029848 0.529124 0.699281 0.080 Uiso 1 1 calc R U . . .
C29 C 1.1278(3) 0.4695(3) 0.5656(3) 0.0742(8) Uani 1 1 d . . . . .
H29 H 1.187643 0.519394 0.544858 0.089 Uiso 1 1 calc R U . . .
C30 C 1.1325(3) 0.3898(3) 0.5053(2) 0.0676(7) Uani 1 1 d . . . . .
H30 H 1.195842 0.384393 0.443403 0.081 Uiso 1 1 calc R U . . .
O101 O 0.6047(2) 0.5234(2) 0.7123(3) 0.0982(8) Uani 1 1 d G . . . .
H10A H 0.530747 0.515214 0.752268 0.147 Uiso 1 1 d G U . . .
H10B H 0.624961 0.578621 0.731373 0.147 Uiso 1 1 d G U . . .
O32 O 0.5000(16) 0.2915(13) 0.6155(11) 0.136(5) Uani 0.45 1 d D U P A 1
H32 H 0.443952 0.296520 0.669900 0.204 Uiso 0.45 1 calc R U P A 1
C33 C 0.4741(18) 0.3754(13) 0.4841(14) 0.173(7) Uani 0.45 1 d D U P A 1
H33A H 0.460497 0.378795 0.420986 0.259 Uiso 0.45 1 calc R U P A 1
H33B H 0.559762 0.386896 0.472857 0.259 Uiso 0.45 1 calc R U P A 1
H33C H 0.419014 0.430811 0.524199 0.259 Uiso 0.45 1 calc R U P A 1
C34 C 0.4468(9) 0.2615(9) 0.5398(8) 0.089(2) Uani 0.45 1 d D U P A 1
H34A H 0.358220 0.250772 0.567233 0.107 Uiso 0.45 1 calc R U P A 1
H34B H 0.494987 0.201045 0.501441 0.107 Uiso 0.45 1 calc R U P A 1
O32A O 0.4843(9) 0.2532(7) 0.6183(7) 0.087(2) Uani 0.55 1 d D U P B 2
H32A H 0.421665 0.266419 0.667049 0.131 Uiso 0.55 1 calc R U P B 2
C33A C 0.4129(11) 0.2331(9) 0.4977(9) 0.145(4) Uani 0.55 1 d D U P B 2
H33D H 0.419981 0.235156 0.428413 0.217 Uiso 0.55 1 calc R U P B 2
H33E H 0.325923 0.235531 0.538681 0.217 Uiso 0.55 1 calc R U P B 2
H33F H 0.457180 0.167076 0.515320 0.217 Uiso 0.55 1 calc R U P B 2
C34A C 0.4670(9) 0.3268(9) 0.5140(8) 0.104(3) Uani 0.55 1 d D U P B 2
H34C H 0.408730 0.392087 0.528181 0.124 Uiso 0.55 1 calc R U P B 2
H34D H 0.545617 0.342347 0.462221 0.124 Uiso 0.55 1 calc R U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N1 2.0636(17) . y
Ru1 N4 1.9750(18) . y
Ru1 N3 2.0741(19) . y
Ru1 N5 2.0777(19) . y
Ru1 O3 2.1358(16) . y
Ru1 N2 1.9908(18) . y
Cl1 O7 1.384(4) . ?
Cl1 O4 1.378(4) . ?
Cl1 O5 1.415(3) . ?
Cl1 O6 1.355(4) . ?
Cl2 O10 1.425(3) . ?
Cl2 O9 1.411(3) . ?
Cl2 O8 1.417(2) . ?
Cl2 O11 1.405(3) . ?
N1 C1 1.305(3) . ?
N1 C3 1.433(3) . ?
N4 C22 1.345(3) . ?
N4 C26 1.347(3) . ?
N3 C21 1.363(3) . ?
N3 C17 1.339(3) . ?
N5 C31 1.339(3) . ?
N5 C27 1.369(3) . ?
O3 H3A 0.8531 . ?
O3 H3B 0.8526 . ?
C1 H1 0.9300 . ?
C1 C2 1.425(3) . ?
N2 C2 1.295(3) . ?
N2 C10 1.437(3) . ?
O1 C6 1.363(3) . ?
O1 C9 1.429(4) . ?
C31 H31 0.9300 . ?
C31 C30 1.389(4) . ?
C2 H2 0.9300 . ?
C10 C15 1.383(3) . ?
C10 C11 1.372(3) . ?
C15 H15 0.9300 . ?
C15 C14 1.376(4) . ?
C14 H14 0.9300 . ?
C14 C13 1.378(4) . ?
C13 C12 1.381(4) . ?
C13 O2 1.367(3) . ?
C12 H12 0.9300 . ?
C12 C11 1.387(4) . ?
C11 H11 0.9300 . ?
O2 C16 1.419(4) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C3 C8 1.390(3) . ?
C3 C4 1.383(3) . ?
C8 H8 0.9300 . ?
C8 C7 1.378(4) . ?
C7 H7 0.9300 . ?
C7 C6 1.390(4) . ?
C6 C5 1.372(4) . ?
C9 H9A 0.92(5) . ?
C9 H9B 0.98(5) . ?
C9 H9C 0.97(5) . ?
C5 H5 0.9300 . ?
C5 C4 1.391(3) . ?
C4 H4 0.9300 . ?
C22 C21 1.463(4) . ?
C22 C23 1.389(3) . ?
C21 C20 1.385(4) . ?
C20 H20 0.9300 . ?
C20 C19 1.372(5) . ?
C19 H19 0.9300 . ?
C19 C18 1.361(6) . ?
C18 H18 0.9300 . ?
C18 C17 1.384(4) . ?
C17 H17 0.9300 . ?
C23 H23 0.9300 . ?
C23 C24 1.363(5) . ?
C24 H24 0.9300 . ?
C24 C25 1.383(5) . ?
C25 H25 0.9300 . ?
C25 C26 1.383(4) . ?
C26 C27 1.468(4) . ?
C27 C28 1.384(4) . ?
C28 H28 0.9300 . ?
C28 C29 1.379(5) . ?
C29 H29 0.9300 . ?
C29 C30 1.365(5) . ?
C30 H30 0.9300 . ?
O101 H10A 0.8502 . ?
O101 H10B 0.8504 . ?
O32 H32 0.8200 . ?
O32 C34 1.505(14) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C33 C34 1.554(14) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
O32A H32A 0.8200 . ?
O32A C34A 1.713(13) . ?
C33A H33D 0.9600 . ?
C33A H33E 0.9600 . ?
C33A H33F 0.9600 . ?
C33A C34A 1.460(12) . ?
C34A H34C 0.9700 . ?
C34A H34D 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ru1 N3 96.69(7) . . y
N1 Ru1 N5 105.22(7) . . y
N1 Ru1 O3 98.33(7) . . y
N4 Ru1 N1 172.67(7) . . y
N4 Ru1 N3 79.24(8) . . y
N4 Ru1 N5 79.11(8) . . y
N4 Ru1 O3 87.75(7) . . y
N4 Ru1 N2 96.20(7) . . y
N3 Ru1 N5 158.06(8) . . y
N3 Ru1 O3 89.00(7) . . y
N5 Ru1 O3 86.67(7) . . y
N2 Ru1 N1 77.67(7) . . y
N2 Ru1 N3 90.98(7) . . y
N2 Ru1 N5 94.81(7) . . y
N2 Ru1 O3 175.98(7) . . y
O7 Cl1 O5 105.2(3) . . ?
O4 Cl1 O7 105.0(3) . . ?
O4 Cl1 O5 112.4(3) . . ?
O6 Cl1 O7 111.9(4) . . ?
O6 Cl1 O4 112.7(3) . . ?
O6 Cl1 O5 109.3(2) . . ?
O9 Cl2 O10 108.22(18) . . ?
O9 Cl2 O8 111.8(2) . . ?
O8 Cl2 O10 107.70(16) . . ?
O11 Cl2 O10 109.6(2) . . ?
O11 Cl2 O9 109.1(2) . . ?
O11 Cl2 O8 110.36(19) . . ?
C1 N1 Ru1 113.64(15) . . ?
C1 N1 C3 118.79(18) . . ?
C3 N1 Ru1 127.08(14) . . ?
C22 N4 Ru1 118.46(16) . . ?
C22 N4 C26 122.6(2) . . ?
C26 N4 Ru1 118.90(16) . . ?
C21 N3 Ru1 113.41(17) . . ?
C17 N3 Ru1 127.86(18) . . ?
C17 N3 C21 118.7(2) . . ?
C31 N5 Ru1 128.12(17) . . ?
C31 N5 C27 118.3(2) . . ?
C27 N5 Ru1 113.54(16) . . ?
Ru1 O3 H3A 109.5 . . ?
Ru1 O3 H3B 109.5 . . ?
H3A O3 H3B 104.3 . . ?
N1 C1 H1 122.1 . . ?
N1 C1 C2 115.9(2) . . ?
C2 C1 H1 122.1 . . ?
C2 N2 Ru1 117.08(16) . . ?
C2 N2 C10 120.38(19) . . ?
C10 N2 Ru1 122.19(14) . . ?
C6 O1 C9 117.0(2) . . ?
N5 C31 H31 118.8 . . ?
N5 C31 C30 122.4(3) . . ?
C30 C31 H31 118.8 . . ?
C1 C2 H2 122.5 . . ?
N2 C2 C1 115.0(2) . . ?
N2 C2 H2 122.5 . . ?
C15 C10 N2 119.7(2) . . ?
C11 C10 N2 120.2(2) . . ?
C11 C10 C15 119.8(2) . . ?
C10 C15 H15 120.0 . . ?
C14 C15 C10 120.0(2) . . ?
C14 C15 H15 120.0 . . ?
C15 C14 H14 119.8 . . ?
C15 C14 C13 120.4(2) . . ?
C13 C14 H14 119.8 . . ?
C14 C13 C12 119.7(2) . . ?
O2 C13 C14 116.2(3) . . ?
O2 C13 C12 124.1(3) . . ?
C13 C12 H12 120.1 . . ?
C13 C12 C11 119.7(2) . . ?
C11 C12 H12 120.1 . . ?
C10 C11 C12 120.3(2) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C13 O2 C16 117.0(3) . . ?
O2 C16 H16A 109.5 . . ?
O2 C16 H16B 109.5 . . ?
O2 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C8 C3 N1 122.2(2) . . ?
C4 C3 N1 118.9(2) . . ?
C4 C3 C8 118.9(2) . . ?
C3 C8 H8 120.0 . . ?
C7 C8 C3 120.1(2) . . ?
C7 C8 H8 120.0 . . ?
C8 C7 H7 119.6 . . ?
C8 C7 C6 120.8(2) . . ?
C6 C7 H7 119.6 . . ?
O1 C6 C7 115.8(2) . . ?
O1 C6 C5 124.7(3) . . ?
C5 C6 C7 119.5(2) . . ?
O1 C9 H9A 103(3) . . ?
O1 C9 H9B 112(3) . . ?
O1 C9 H9C 109(3) . . ?
H9A C9 H9B 113(4) . . ?
H9A C9 H9C 108(4) . . ?
H9B C9 H9C 113(4) . . ?
C6 C5 H5 120.1 . . ?
C6 C5 C4 119.8(2) . . ?
C4 C5 H5 120.1 . . ?
C3 C4 C5 121.0(2) . . ?
C3 C4 H4 119.5 . . ?
C5 C4 H4 119.5 . . ?
N4 C22 C21 113.6(2) . . ?
N4 C22 C23 119.2(3) . . ?
C23 C22 C21 127.2(3) . . ?
N3 C21 C22 115.3(2) . . ?
N3 C21 C20 120.7(3) . . ?
C20 C21 C22 124.0(3) . . ?
C21 C20 H20 120.3 . . ?
C19 C20 C21 119.5(3) . . ?
C19 C20 H20 120.3 . . ?
C20 C19 H19 120.0 . . ?
C18 C19 C20 120.0(3) . . ?
C18 C19 H19 120.0 . . ?
C19 C18 H18 120.6 . . ?
C19 C18 C17 118.8(3) . . ?
C17 C18 H18 120.6 . . ?
N3 C17 C18 122.3(3) . . ?
N3 C17 H17 118.9 . . ?
C18 C17 H17 118.9 . . ?
C22 C23 H23 120.5 . . ?
C24 C23 C22 119.0(3) . . ?
C24 C23 H23 120.5 . . ?
C23 C24 H24 119.4 . . ?
C23 C24 C25 121.2(3) . . ?
C25 C24 H24 119.4 . . ?
C24 C25 H25 120.7 . . ?
C26 C25 C24 118.5(3) . . ?
C26 C25 H25 120.7 . . ?
N4 C26 C25 119.4(3) . . ?
N4 C26 C27 113.4(2) . . ?
C25 C26 C27 127.2(3) . . ?
N5 C27 C26 115.0(2) . . ?
N5 C27 C28 121.2(2) . . ?
C28 C27 C26 123.8(2) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 C27 119.5(3) . . ?
C29 C28 H28 120.2 . . ?
C28 C29 H29 120.3 . . ?
C30 C29 C28 119.5(3) . . ?
C30 C29 H29 120.3 . . ?
C31 C30 H30 120.4 . . ?
C29 C30 C31 119.1(3) . . ?
C29 C30 H30 120.4 . . ?
H10A O101 H10B 104.5 . . ?
C34 O32 H32 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C34 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
C34 C33 H33C 109.5 . . ?
O32 C34 C33 88.2(9) . . ?
O32 C34 H34A 114.0 . . ?
O32 C34 H34B 114.0 . . ?
C33 C34 H34A 114.0 . . ?
C33 C34 H34B 114.0 . . ?
H34A C34 H34B 111.2 . . ?
C34A O32A H32A 109.5 . . ?
H33D C33A H33E 109.5 . . ?
H33D C33A H33F 109.5 . . ?
H33E C33A H33F 109.5 . . ?
C34A C33A H33D 109.5 . . ?
C34A C33A H33E 109.5 . . ?
C34A C33A H33F 109.5 . . ?
O32A C34A H34C 114.2 . . ?
O32A C34A H34D 114.2 . . ?
C33A C34A O32A 86.9(8) . . ?
C33A C34A H34C 114.2 . . ?
C33A C34A H34D 114.2 . . ?
H34C C34A H34D 111.3 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O3 H3A O101 0.85 1.84 2.685(3) 171.3 . yes
O3 H3B O32 0.85 1.57 2.407(13) 167.6 . yes
O3 H3B O32A 0.85 1.92 2.770(9) 175.6 . yes
O101 H10A O4 0.85 2.04 2.862(5) 161.3 . yes
O101 H10B O8 0.85 2.05 2.881(4) 165.3 1_565 yes
O32 H32 O5 0.82 2.07 2.820(18) 152.4 . yes
O32A H32A O5 0.82 2.05 2.832(11) 160.1 . yes

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 N1 C1 C2 -6.5(3) . . . . ?
Ru1 N1 C3 C8 -134.5(2) . . . . ?
Ru1 N1 C3 C4 44.1(3) . . . . ?
Ru1 N4 C22 C21 -2.8(3) . . . . ?
Ru1 N4 C22 C23 177.7(2) . . . . ?
Ru1 N4 C26 C25 -177.3(2) . . . . ?
Ru1 N4 C26 C27 2.6(3) . . . . ?
Ru1 N3 C21 C22 1.1(3) . . . . ?
Ru1 N3 C21 C20 179.8(2) . . . . ?
Ru1 N3 C17 C18 -178.8(3) . . . . ?
Ru1 N5 C31 C30 178.8(2) . . . . ?
Ru1 N5 C27 C26 1.8(3) . . . . ?
Ru1 N5 C27 C28 -178.9(2) . . . . ?
Ru1 N2 C2 C1 5.6(3) . . . . ?
Ru1 N2 C10 C15 99.5(2) . . . . ?
Ru1 N2 C10 C11 -74.7(3) . . . . ?
N1 C1 C2 N2 0.8(3) . . . . ?
N1 C3 C8 C7 178.0(3) . . . . ?
N1 C3 C4 C5 -178.4(2) . . . . ?
N4 C22 C21 N3 1.0(3) . . . . ?
N4 C22 C21 C20 -177.6(3) . . . . ?
N4 C22 C23 C24 0.2(4) . . . . ?
N4 C26 C27 N5 -2.9(3) . . . . ?
N4 C26 C27 C28 177.8(2) . . . . ?
N3 C21 C20 C19 -0.6(5) . . . . ?
N5 C31 C30 C29 0.1(4) . . . . ?
N5 C27 C28 C29 -0.1(4) . . . . ?
C1 N1 C3 C8 36.9(3) . . . . ?
C1 N1 C3 C4 -144.5(2) . . . . ?
N2 C10 C15 C14 -173.1(2) . . . . ?
N2 C10 C11 C12 172.8(2) . . . . ?
O1 C6 C5 C4 176.9(3) . . . . ?
C31 N5 C27 C26 -178.6(2) . . . . ?
C31 N5 C27 C28 0.7(4) . . . . ?
C2 N2 C10 C15 -73.4(3) . . . . ?
C2 N2 C10 C11 112.4(3) . . . . ?
C10 N2 C2 C1 178.85(19) . . . . ?
C10 C15 C14 C13 1.0(4) . . . . ?
C15 C10 C11 C12 -1.4(4) . . . . ?
C15 C14 C13 C12 -2.9(4) . . . . ?
C15 C14 C13 O2 178.3(3) . . . . ?
C14 C13 C12 C11 2.7(4) . . . . ?
C14 C13 O2 C16 -166.5(3) . . . . ?
C13 C12 C11 C10 -0.5(4) . . . . ?
C12 C13 O2 C16 14.8(4) . . . . ?
C11 C10 C15 C14 1.2(4) . . . . ?
O2 C13 C12 C11 -178.7(3) . . . . ?
C3 N1 C1 C2 -179.00(19) . . . . ?
C3 C8 C7 C6 0.2(5) . . . . ?
C8 C3 C4 C5 0.3(4) . . . . ?
C8 C7 C6 O1 -177.5(3) . . . . ?
C8 C7 C6 C5 0.7(5) . . . . ?
C7 C6 C5 C4 -1.0(4) . . . . ?
C6 C5 C4 C3 0.5(4) . . . . ?
C9 O1 C6 C7 164.3(3) . . . . ?
C9 O1 C6 C5 -13.8(4) . . . . ?
C4 C3 C8 C7 -0.6(4) . . . . ?
C22 N4 C26 C25 2.3(4) . . . . ?
C22 N4 C26 C27 -177.8(2) . . . . ?
C22 C21 C20 C19 178.0(3) . . . . ?
C22 C23 C24 C25 1.1(5) . . . . ?
C21 N3 C17 C18 0.7(4) . . . . ?
C21 C22 C23 C24 -179.3(3) . . . . ?
C21 C20 C19 C18 0.2(7) . . . . ?
C20 C19 C18 C17 0.6(7) . . . . ?
C19 C18 C17 N3 -1.1(6) . . . . ?
C17 N3 C21 C22 -178.5(2) . . . . ?
C17 N3 C21 C20 0.2(4) . . . . ?
C23 C22 C21 N3 -179.5(3) . . . . ?
C23 C22 C21 C20 1.9(5) . . . . ?
C23 C24 C25 C26 -0.7(5) . . . . ?
C24 C25 C26 N4 -0.9(4) . . . . ?
C24 C25 C26 C27 179.1(3) . . . . ?
C25 C26 C27 N5 177.1(3) . . . . ?
C25 C26 C27 C28 -2.2(4) . . . . ?
C26 N4 C22 C21 177.7(2) . . . . ?
C26 N4 C22 C23 -1.9(4) . . . . ?
C26 C27 C28 C29 179.1(3) . . . . ?
C27 N5 C31 C30 -0.7(4) . . . . ?
C27 C28 C29 C30 -0.5(5) . . . . ?
C28 C29 C30 C31 0.5(5) . . . . ?

# start Validation Reply Form
_vrf_PLAT375_sb-am-36_a          
;
PROBLEM: Strange C-O-H Geometry (C-O > 1.45 Ang) ..... O32A Check
RESPONSE: This has happened presumably due to solvent disorder problem.
;
# end Validation Reply Form


_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_SB-RS-18-M1
_database_code_depnum_ccdc_archive 'CCDC 2105126'
loop_
_audit_author_name
_audit_author_address
'Samaresh Bhattacharya'
;Department of Chemistry, Inorganic Chemistry Section, Jadavpur University, Kolkata, India
India
;
_audit_update_record             
;
2022-04-05 deposited with the CCDC.	2022-04-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C136 H126 Cl8 N26 O39 Ru4'
_chemical_formula_weight         3436.50

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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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

_cell_length_a                   15.965(3)
_cell_length_b                   39.938(7)
_cell_length_c                   12.631(2)
_cell_angle_alpha                90
_cell_angle_beta                 107.142(4)
_cell_angle_gamma                90
_cell_volume                     7696(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    234
_cell_measurement_theta_min      1.763
_cell_measurement_theta_max      27.163

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_F_000             3496
_exptl_transmission_factor_min   0.674
_exptl_transmission_factor_max   0.791
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.24
_exptl_absorpt_coefficient_mu    0.608
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  CCD
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            108470
_diffrn_reflns_av_unetI/netI     0.0603
_diffrn_reflns_av_R_equivalents  0.1099
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.763
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             13466
_reflns_number_gt                9490
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'APEX3 (Bruker)'
_computing_cell_refinement       ?
_computing_data_reduction        'APEX3 (Bruker)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0962P)²+67.3532P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13466
_refine_ls_number_parameters     1013
_refine_ls_number_restraints     108
_refine_ls_R_factor_all          0.1428
_refine_ls_R_factor_gt           0.1065
_refine_ls_wR_factor_ref         0.2880
_refine_ls_wR_factor_gt          0.2655
_refine_ls_goodness_of_fit_ref   1.161
_refine_ls_restrained_S_all      1.157
_refine_ls_shift/su_max          0.028
_refine_ls_shift/su_mean         0.001

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 0.54101(6) 0.31432(2) 0.32806(7) 0.0443(3) Uani 1 1 d . . . . .
Ru2 Ru 0.99916(5) 0.43608(2) 0.75857(6) 0.0344(2) Uani 1 1 d . . . . .
Cl1 Cl 0.0484(2) 0.29988(10) 0.8628(3) 0.0814(10) Uani 1 1 d . . . . .
Cl2 Cl 0.5678(2) 0.35736(8) 0.7890(3) 0.0708(8) Uani 1 1 d . . . . .
Cl3 Cl 0.4953(2) 0.45042(9) 0.2384(3) 0.0694(8) Uani 1 1 d . . . . .
Cl4 Cl 0.9734(2) 0.39310(8) 0.3060(3) 0.0692(8) Uani 1 1 d . . . . .
N4 N 0.5966(6) 0.34676(19) 0.2511(7) 0.0441(19) Uani 1 1 d . . . . .
N5 N 0.4444(4) 0.32153(16) 0.1894(5) 0.0279(15) Uani 1 1 d . U . . .
N8 N 0.9444(5) 0.47673(17) 0.8074(6) 0.0345(16) Uani 1 1 d . . . . .
O4 O 0.7070(6) 0.4683(2) 1.0488(7) 0.076(3) Uani 1 1 d . . . . .
N7 N 1.0500(5) 0.47478(17) 0.6878(6) 0.0354(17) Uani 1 1 d . . . . .
O3 O 1.3001(6) 0.4683(2) 0.4636(7) 0.072(2) Uani 1 1 d . . . . .
C41 C 1.1924(7) 0.4916(2) 0.6712(9) 0.047(2) Uani 1 1 d . . . . .
H41 H 1.200867 0.505034 0.733606 0.056 Uiso 1 1 calc R U . . .
N10 N 0.9468(5) 0.40339(18) 0.8404(6) 0.0354(17) Uani 1 1 d . . . . .
N11 N 0.8772(5) 0.42688(19) 0.6456(6) 0.0433(19) Uani 1 1 d . . . . .
C27 C 0.4595(7) 0.3457(3) 0.1158(9) 0.056(3) Uani 1 1 d . . . . .
N3 N 0.6626(6) 0.3200(2) 0.4463(8) 0.057(2) Uani 1 1 d . . . . .
N2 N 0.5875(6) 0.2739(2) 0.2698(7) 0.051(2) Uani 1 1 d . . . . .
N1 N 0.4832(6) 0.2752(2) 0.3874(7) 0.050(2) Uani 1 1 d . . . . .
O1 O 0.2518(7) 0.2820(3) 0.6412(9) 0.093(3) Uani 1 1 d . . . . .
N6 N 0.4896(6) 0.3523(2) 0.3973(8) 0.054(2) Uani 1 1 d . . . . .
C43 C 0.8814(6) 0.4760(2) 0.8666(7) 0.037(2) Uani 1 1 d . . . . .
C48 C 0.7962(7) 0.4855(3) 0.8172(8) 0.049(3) Uani 1 1 d . . . . .
H48 H 0.779793 0.493561 0.744895 0.059 Uiso 1 1 calc R U . . .
C37 C 1.1048(7) 0.4529(3) 0.5436(8) 0.048(2) Uani 1 1 d . . . . .
H37 H 1.054413 0.439915 0.519183 0.057 Uiso 1 1 calc R U . . .
C40 C 1.2555(7) 0.4905(3) 0.6181(9) 0.051(3) Uani 1 1 d . . . . .
H40 H 1.306709 0.502876 0.644701 0.061 Uiso 1 1 calc R U . . .
N12 N 1.0547(6) 0.3976(2) 0.6945(7) 0.046(2) Uani 1 1 d . . . . .
C63 C 0.7606(7) 0.4312(3) 0.4784(9) 0.057(3) Uani 1 1 d . . . . .
H63 H 0.741076 0.438639 0.405429 0.068 Uiso 1 1 calc R U . . .
C26 C 0.5489(7) 0.3581(2) 0.1523(7) 0.046(2) Uani 1 1 d . . . . .
C28 C 0.3993(10) 0.3566(3) 0.0199(10) 0.074(4) Uani 1 1 d . . . . .
H28 H 0.415136 0.371890 -0.026346 0.089 Uiso 1 1 calc R U . . .
C29 C 0.3138(10) 0.3443(4) -0.0063(11) 0.084(4) Uani 1 1 d . . . . .
H29 H 0.272879 0.349820 -0.073305 0.101 Uiso 1 1 calc R U . . .
C30 C 0.2914(10) 0.3242(4) 0.0670(14) 0.097(5) Uani 1 1 d . . . . .
H30 H 0.233417 0.317739 0.055878 0.117 Uiso 1 1 calc R U . . .
C31 C 0.3562(9) 0.3136(3) 0.1581(10) 0.069(3) Uani 1 1 d . . . . .
H31 H 0.338569 0.299086 0.205222 0.083 Uiso 1 1 calc R U . . .
C25 C 0.5872(9) 0.3795(3) 0.0913(10) 0.063(3) Uani 1 1 d . . . . .
H25 H 0.554290 0.388250 0.023578 0.075 Uiso 1 1 calc R U . . .
C24 C 0.6762(10) 0.3873(3) 0.1353(11) 0.076(4) Uani 1 1 d . . . . .
H24 H 0.703444 0.401081 0.095929 0.091 Uiso 1 1 calc R U . . .
C23 C 0.7245(9) 0.3745(3) 0.2388(11) 0.071(3) Uani 1 1 d . . . . .
H23 H 0.783559 0.379622 0.268824 0.086 Uiso 1 1 calc R U . . .
C22 C 0.6812(7) 0.3537(3) 0.2959(9) 0.051(3) Uani 1 1 d . . . . .
C21 C 0.7207(7) 0.3392(2) 0.4058(9) 0.050(3) Uani 1 1 d . . . . .
C17 C 0.6929(8) 0.3072(3) 0.5463(9) 0.059(3) Uani 1 1 d . . . . .
H17 H 0.655103 0.294674 0.574111 0.071 Uiso 1 1 calc R U . . .
C18 C 0.7791(10) 0.3116(3) 0.6125(13) 0.086(4) Uani 1 1 d . . . . .
H18 H 0.797399 0.302248 0.683037 0.103 Uiso 1 1 calc R U . . .
C19 C 0.8376(9) 0.3298(3) 0.5732(10) 0.069(3) Uani 1 1 d . . . . .
H19 H 0.895246 0.333135 0.616118 0.083 Uiso 1 1 calc R U . . .
C20 C 0.8058(8) 0.3432(3) 0.4655(11) 0.072(4) Uani 1 1 d . . . . .
H20 H 0.843673 0.354806 0.435125 0.086 Uiso 1 1 calc R U . . .
C2 C 0.5604(8) 0.2449(3) 0.2918(9) 0.056(3) Uani 1 1 d . . . . .
H2 H 0.578225 0.225018 0.266785 0.067 Uiso 1 1 calc R U . . .
C1 C 0.5012(8) 0.2456(3) 0.3570(10) 0.061(3) Uani 1 1 d . . . . .
H1 H 0.477026 0.226206 0.376479 0.074 Uiso 1 1 calc R U . . .
C3 C 0.4210(8) 0.2768(3) 0.4502(9) 0.056(3) Uani 1 1 d . . . . .
C8 C 0.3425(8) 0.2580(3) 0.4176(10) 0.065(3) Uani 1 1 d . . . . .
H8 H 0.330107 0.244742 0.354364 0.078 Uiso 1 1 calc R U . . .
C7 C 0.2838(8) 0.2593(3) 0.4795(10) 0.064(3) Uani 1 1 d . . . . .
H7 H 0.232479 0.246788 0.458701 0.077 Uiso 1 1 calc R U . . .
C6 C 0.3027(8) 0.2796(3) 0.5730(10) 0.060(3) Uani 1 1 d . . . . .
C9 C 0.1746(11) 0.2631(4) 0.6152(14) 0.099(5) Uani 1 1 d . . . . .
H9A H 0.134126 0.271604 0.548483 0.149 Uiso 1 1 calc R U . . .
H9B H 0.148801 0.264659 0.674812 0.149 Uiso 1 1 calc R U . . .
H9C H 0.187777 0.240139 0.604617 0.149 Uiso 1 1 calc R U . . .
C5 C 0.3784(9) 0.2978(3) 0.6034(10) 0.066(3) Uani 1 1 d . . . . .
H5 H 0.390975 0.310624 0.667725 0.079 Uiso 1 1 calc R U . . .
C4 C 0.4364(8) 0.2979(3) 0.5425(9) 0.057(3) Uani 1 1 d . . . . .
H4 H 0.485338 0.311751 0.562145 0.068 Uiso 1 1 calc R U . . .
C10 C 0.6550(8) 0.2743(3) 0.2141(9) 0.052(3) Uani 1 1 d . . . . .
C15 C 0.6352(9) 0.2869(3) 0.1066(9) 0.062(3) Uani 1 1 d . . . . .
H15 H 0.578668 0.294004 0.069512 0.075 Uiso 1 1 calc R U . . .
C14 C 0.6995(10) 0.2887(3) 0.0571(11) 0.071(4) Uani 1 1 d . . . . .
H14 H 0.686424 0.296557 -0.015283 0.085 Uiso 1 1 calc R U . . .
C13 C 0.7837(10) 0.2791(3) 0.1119(12) 0.072(4) Uani 1 1 d . . . . .
C12 C 0.8038(9) 0.2673(3) 0.2183(11) 0.073(3) Uani 1 1 d . . . . .
H12 H 0.860974 0.261183 0.256074 0.087 Uiso 1 1 calc R U . . .
C11 C 0.7381(8) 0.2646(3) 0.2691(11) 0.064(3) Uani 1 1 d . . . . .
H11 H 0.750849 0.256049 0.340607 0.077 Uiso 1 1 calc R U . . .
O2 O 0.8422(8) 0.2815(3) 0.0531(10) 0.110(4) Uani 1 1 d . . . . .
C16 C 0.9296(12) 0.2727(6) 0.103(2) 0.156(10) Uani 1 1 d . . . . .
H16A H 0.950090 0.282996 0.174467 0.234 Uiso 1 1 calc R U . . .
H16B H 0.964636 0.280165 0.057350 0.234 Uiso 1 1 calc R U . . .
H16C H 0.934209 0.248777 0.110852 0.234 Uiso 1 1 calc R U . . .
C32 C 0.4559(9) 0.3729(3) 0.4330(10) 0.063(3) Uani 1 1 d . . . . .
C33 C 0.4105(14) 0.3987(4) 0.4760(15) 0.126(7) Uani 1 1 d . . . . .
H33A H 0.387959 0.415263 0.419784 0.189 Uiso 1 1 calc R U . . .
H33B H 0.450611 0.409000 0.539485 0.189 Uiso 1 1 calc R U . . .
H33C H 0.362898 0.388790 0.496942 0.189 Uiso 1 1 calc R U . . .
O101 O 0.0736(8) 0.3095(4) 0.9743(10) 0.136(5) Uani 1 1 d . . . . .
O102 O -0.027(2) 0.3192(8) 0.794(3) 0.150(5) Uani 0.520(12) 1 d . U P A 1
O104 O 0.036(2) 0.2648(8) 0.850(2) 0.150(5) Uani 0.520(12) 1 d . U P A 1
C44 C 0.9052(8) 0.4637(3) 0.9731(8) 0.053(3) Uani 1 1 d . . . . .
H44 H 0.962722 0.457059 1.007087 0.064 Uiso 1 1 calc R U . . .
C45 C 0.8434(9) 0.4612(3) 1.0291(9) 0.064(3) Uani 1 1 d . . . . .
H45 H 0.859656 0.452520 1.100630 0.077 Uiso 1 1 calc R U . . .
C46 C 0.7593(8) 0.4711(3) 0.9823(9) 0.055(3) Uani 1 1 d . . . . .
C47 C 0.7351(8) 0.4832(3) 0.8737(10) 0.063(3) Uani 1 1 d . . . . .
H47 H 0.677439 0.489627 0.839688 0.076 Uiso 1 1 calc R U . . .
C49 C 0.6171(11) 0.4753(6) 1.0019(17) 0.151(10) Uani 1 1 d . . . . .
H49A H 0.593454 0.461096 0.938957 0.227 Uiso 1 1 calc R U . . .
H49B H 0.609919 0.498331 0.978960 0.227 Uiso 1 1 calc R U . . .
H49C H 0.586756 0.471342 1.055997 0.227 Uiso 1 1 calc R U . . .
C35 C 0.9612(7) 0.5055(3) 0.7673(9) 0.050(3) Uani 1 1 d . . . . .
H35 H 0.935142 0.525388 0.779777 0.061 Uiso 1 1 calc R U . . .
C34 C 1.0206(7) 0.5046(3) 0.7046(9) 0.051(3) Uani 1 1 d . . . . .
H34 H 1.038288 0.523930 0.676385 0.061 Uiso 1 1 calc R U . . .
C36 C 1.1159(6) 0.4730(2) 0.6338(7) 0.038(2) Uani 1 1 d . . . . .
C38 C 1.1670(8) 0.4515(3) 0.4879(9) 0.058(3) Uani 1 1 d . . . . .
H38 H 1.158218 0.437764 0.426205 0.069 Uiso 1 1 calc R U . . .
C39 C 1.2426(7) 0.4706(3) 0.5234(9) 0.050(3) Uani 1 1 d . . . . .
C42 C 1.3761(10) 0.4892(4) 0.4914(14) 0.093(5) Uani 1 1 d . . . . .
H42A H 1.358963 0.512028 0.497636 0.139 Uiso 1 1 calc R U . . .
H42B H 1.404672 0.487645 0.434588 0.139 Uiso 1 1 calc R U . . .
H42C H 1.415610 0.482105 0.560821 0.139 Uiso 1 1 calc R U . . .
C65 C 1.0906(10) 0.3782(3) 0.6650(11) 0.073(4) Uani 1 1 d . . . . .
C66 C 1.1368(14) 0.3531(4) 0.6201(16) 0.134(8) Uani 1 1 d . . . . .
H66A H 1.124155 0.356344 0.541623 0.200 Uiso 1 1 calc R U . . .
H66B H 1.118057 0.331184 0.634329 0.200 Uiso 1 1 calc R U . . .
H66C H 1.198784 0.355275 0.654676 0.200 Uiso 1 1 calc R U . . .
C55 C 0.9948(7) 0.3937(3) 0.9462(9) 0.052(3) Uani 1 1 d . . . . .
C56 C 0.9561(9) 0.3734(3) 1.0056(11) 0.071(3) Uani 1 1 d . . . . .
H56 H 0.987856 0.367128 1.077050 0.085 Uiso 1 1 calc R U . . .
C57 C 0.8757(9) 0.3625(3) 0.9646(11) 0.073(4) Uani 1 1 d . . . . .
H57 H 0.852010 0.347912 1.005385 0.088 Uiso 1 1 calc R U . . .
C58 C 0.8254(9) 0.3729(3) 0.8592(11) 0.071(4) Uani 1 1 d . . . . .
H58 H 0.767960 0.365570 0.829337 0.085 Uiso 1 1 calc R U . . .
C59 C 0.8632(7) 0.3944(2) 0.8010(8) 0.047(2) Uani 1 1 d . . . . .
C60 C 0.8233(7) 0.4083(3) 0.6877(9) 0.053(3) Uani 1 1 d . . . . .
C61 C 0.7373(7) 0.4017(3) 0.6251(12) 0.067(3) Uani 1 1 d . . . . .
H61 H 0.701425 0.388729 0.654944 0.081 Uiso 1 1 calc R U . . .
C62 C 0.7058(9) 0.4139(3) 0.5223(12) 0.079(4) Uani 1 1 d . . . . .
H62 H 0.647524 0.410465 0.481796 0.094 Uiso 1 1 calc R U . . .
C64 C 0.8448(8) 0.4379(3) 0.5416(8) 0.056(3) Uani 1 1 d . . . . .
H64 H 0.880675 0.450630 0.510958 0.067 Uiso 1 1 calc R U . . .
C54 C 1.0836(8) 0.4075(3) 0.9787(9) 0.055(3) Uani 1 1 d . . . . .
C53 C 1.1485(9) 0.4007(3) 1.0803(10) 0.070(3) Uani 1 1 d . . . . .
H53 H 1.135752 0.386766 1.132567 0.084 Uiso 1 1 calc R U . . .
C52 C 1.2296(10) 0.4145(4) 1.1010(12) 0.091(5) Uani 1 1 d . . . . .
H52 H 1.274112 0.408736 1.164371 0.109 Uiso 1 1 calc R U . . .
C51 C 1.2448(8) 0.4371(4) 1.0275(10) 0.070(3) Uani 1 1 d . . . . .
H51 H 1.298527 0.447962 1.043055 0.084 Uiso 1 1 calc R U . . .
C50 C 1.1806(8) 0.4435(3) 0.9312(10) 0.063(3) Uani 1 1 d . . . . .
H50 H 1.192355 0.457357 0.878119 0.076 Uiso 1 1 calc R U . . .
N9 N 1.1025(7) 0.4302(2) 0.9129(9) 0.079(4) Uani 1 1 d . . . . .
O204 O 0.575(2) 0.3530(7) 0.684(2) 0.103(12) Uani 0.42(3) 1 d . U P B 1
O202 O 0.5265(11) 0.3363(4) 0.8503(14) 0.069(4) Uani 0.5 1 d . U P B -1
O201 O 0.6124(9) 0.3852(3) 0.8483(11) 0.136(5) Uani 1 1 d . . . . .
O402 O 0.9335(7) 0.3648(3) 0.2468(9) 0.103(4) Uani 1 1 d . . . . .
O401 O 0.9129(13) 0.4176(5) 0.321(2) 0.121(4) Uani 0.599(11) 1 d . . P C 1
O403 O 1.0376(15) 0.4058(6) 0.259(3) 0.121(4) Uani 0.599(11) 1 d . . P C 1
O404 O 1.0223(14) 0.3821(5) 0.422(2) 0.121(4) Uani 0.599(11) 1 d . . P C 1
O302 O 0.4602(8) 0.4416(4) 0.1173(11) 0.152(6) Uani 1 1 d . . . . .
O301 O 0.589(2) 0.4508(9) 0.258(3) 0.153(5) Uani 0.508(13) 1 d . U P D 1
O203 O 0.4670(19) 0.3615(7) 0.756(2) 0.196(11) Uani 0.75(3) 1 d . U P B 1
O103 O 0.131(2) 0.3092(8) 0.838(3) 0.150(5) Uani 0.520(12) 1 d . U P A 1
O303 O 0.468(2) 0.4819(9) 0.269(3) 0.153(5) Uani 0.508(13) 1 d . U P D 1
O304 O 0.470(2) 0.4208(9) 0.262(3) 0.153(5) Uani 0.508(13) 1 d . U P D 1
C100 C 0.192(2) 0.3350(9) 0.316(2) 0.073(8) Uani 0.5 1 d . . P . .
C101 C 0.123(3) 0.3146(8) 0.292(3) 0.105(11) Uani 0.5 1 d . . P . .
H10A H 0.117088 0.304294 0.221019 0.158 Uiso 0.5 1 calc R U P . .
H10B H 0.071096 0.327130 0.288173 0.158 Uiso 0.5 1 calc R U P . .
H10C H 0.131744 0.297652 0.347514 0.158 Uiso 0.5 1 calc R U P . .
C102 C 0.349(2) 0.4191(7) 0.787(2) 0.071(8) Uani 0.5 1 d . . P . .
C103 C 0.420(3) 0.4385(9) 0.814(3) 0.111(12) Uani 0.5 1 d . . P . .
H10D H 0.424141 0.450267 0.749450 0.167 Uiso 0.5 1 calc R U P . .
H10E H 0.471551 0.424791 0.842187 0.167 Uiso 0.5 1 calc R U P . .
H10F H 0.416609 0.454275 0.869772 0.167 Uiso 0.5 1 calc R U P . .
N100 N 0.246(2) 0.3496(9) 0.329(3) 0.112(10) Uani 0.5 1 d . . P . .
N101 N 0.294(2) 0.4025(8) 0.762(3) 0.117(11) Uani 0.5 1 d . . P . .
O5 O 0.960(2) 0.3961(8) 0.414(3) 0.121(4) Uani 0.401(11) 1 d . . P C 2
O6 O 1.062(2) 0.3854(8) 0.343(3) 0.121(4) Uani 0.401(11) 1 d . . P C 2
O7 O 1.002(2) 0.4177(10) 0.247(4) 0.121(4) Uani 0.401(11) 1 d . . P C 2
O8 O 0.028(2) 0.3215(9) 0.766(3) 0.150(5) Uani 0.480(12) 1 d . U P A 2
O9 O 0.109(2) 0.2795(9) 0.831(3) 0.150(5) Uani 0.480(12) 1 d . U P A 2
O10 O -0.046(2) 0.2955(9) 0.842(3) 0.150(5) Uani 0.480(12) 1 d . U P A 2
O11 O 0.424(2) 0.4511(9) 0.276(3) 0.153(5) Uani 0.492(13) 1 d . U P D 2
O12 O 0.513(2) 0.4847(9) 0.226(3) 0.153(5) Uani 0.492(13) 1 d . U P D 2
O13 O 0.549(2) 0.4328(9) 0.297(3) 0.153(5) Uani 0.492(13) 1 d . U P D 2
O14 O 0.512(2) 0.3673(7) 0.687(2) 0.055(12) Uani 0.25(3) 1 d . U P B 2
O15 O 0.6270(14) 0.3335(6) 0.7571(19) 0.114(10) Uani 0.58(3) 1 d . U P B 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N4 1.979(8) . ?
Ru1 N5 1.984(7) . ?
Ru1 N2 2.005(8) . ?
Ru1 N6 2.039(9) . ?
Ru1 N1 2.065(8) . ?
Ru1 N3 2.083(9) . ?
Ru2 N10 1.995(7) . ?
Ru2 N8 2.024(7) . ?
Ru2 N12 2.055(9) . ?
Ru2 N7 2.067(7) . ?
Ru2 N11 2.079(8) . ?
Ru2 N9 2.163(9) . ?
Cl1 O101 1.399(12) . ?
Cl1 O9 1.42(3) . ?
Cl1 O104 1.42(3) . ?
Cl1 O10 1.46(3) . ?
Cl1 O8 1.46(4) . ?
Cl1 O102 1.47(3) . ?
Cl1 O103 1.50(3) . ?
Cl2 O204 1.38(3) . ?
Cl2 O14 1.39(3) . ?
Cl2 O201 1.412(10) . ?
Cl2 O202 1.431(17) . ?
Cl2 O15 1.48(2) . ?
Cl2 O203 1.55(3) . ?
Cl3 O13 1.19(4) . ?
Cl3 O304 1.31(4) . ?
Cl3 O11 1.36(3) . ?
Cl3 O12 1.41(4) . ?
Cl3 O303 1.42(3) . ?
Cl3 O301 1.44(3) . ?
Cl3 O302 1.507(13) . ?
Cl4 O7 1.39(4) . ?
Cl4 O6 1.39(3) . ?
Cl4 O402 1.402(9) . ?
Cl4 O403 1.42(2) . ?
Cl4 O401 1.42(2) . ?
Cl4 O5 1.44(4) . ?
Cl4 O404 1.51(3) . ?
N4 C22 1.332(13) . ?
N4 C26 1.335(12) . ?
N5 C31 1.384(14) . ?
N5 C27 1.411(14) . ?
N8 C35 1.316(12) . ?
N8 C43 1.419(11) . ?
O4 C46 1.353(13) . ?
O4 C49 1.409(18) . ?
N7 C34 1.319(12) . ?
N7 C36 1.414(12) . ?
O3 C39 1.353(12) . ?
O3 C42 1.429(15) . ?
C41 C40 1.365(14) . ?
C41 C36 1.389(13) . ?
C41 H41 0.9300 . ?
N10 C59 1.329(12) . ?
N10 C55 1.386(13) . ?
N11 C64 1.337(12) . ?
N11 C60 1.359(13) . ?
C27 C28 1.376(15) . ?
C27 C26 1.450(15) . ?
N3 C17 1.315(14) . ?
N3 C21 1.410(14) . ?
N2 C2 1.295(13) . ?
N2 C10 1.449(13) . ?
N1 C1 1.301(14) . ?
N1 C3 1.443(13) . ?
O1 C6 1.351(13) . ?
O1 C9 1.399(16) . ?
N6 C32 1.146(14) . ?
C43 C48 1.373(13) . ?
C43 C44 1.377(13) . ?
C48 C47 1.372(14) . ?
C48 H48 0.9300 . ?
C37 C36 1.361(13) . ?
C37 C38 1.377(14) . ?
C37 H37 0.9300 . ?
C40 C39 1.400(15) . ?
C40 H40 0.9300 . ?
N12 C65 1.093(13) . ?
C63 C62 1.357(18) . ?
C63 C64 1.372(15) . ?
C63 H63 0.9300 . ?
C26 C25 1.406(15) . ?
C28 C29 1.396(19) . ?
C28 H28 0.9300 . ?
C29 C30 1.35(2) . ?
C29 H29 0.9300 . ?
C30 C31 1.369(18) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C25 C24 1.401(18) . ?
C25 H25 0.9300 . ?
C24 C23 1.403(18) . ?
C24 H24 0.9300 . ?
C23 C22 1.406(15) . ?
C23 H23 0.9300 . ?
C22 C21 1.465(15) . ?
C21 C20 1.356(15) . ?
C17 C18 1.395(17) . ?
C17 H17 0.9300 . ?
C18 C19 1.386(19) . ?
C18 H18 0.9300 . ?
C19 C20 1.409(17) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C2 C1 1.425(16) . ?
C2 H2 0.9300 . ?
C1 H1 0.9300 . ?
C3 C4 1.400(15) . ?
C3 C8 1.415(16) . ?
C8 C7 1.386(16) . ?
C8 H8 0.9300 . ?
C7 C6 1.389(16) . ?
C7 H7 0.9300 . ?
C6 C5 1.366(16) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C5 C4 1.366(16) . ?
C5 H5 0.9300 . ?
C4 H4 0.9300 . ?
C10 C11 1.361(16) . ?
C10 C15 1.395(15) . ?
C15 C14 1.352(17) . ?
C15 H15 0.9300 . ?
C14 C13 1.374(19) . ?
C14 H14 0.9300 . ?
C13 O2 1.357(15) . ?
C13 C12 1.370(18) . ?
C12 C11 1.385(16) . ?
C12 H12 0.9300 . ?
C11 H11 0.9300 . ?
O2 C16 1.40(2) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C32 C33 1.454(18) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C44 C45 1.376(15) . ?
C44 H44 0.9300 . ?
C45 C46 1.358(16) . ?
C45 H45 0.9300 . ?
C46 C47 1.395(15) . ?
C47 H47 0.9300 . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C35 C34 1.404(15) . ?
C35 H35 0.9300 . ?
C34 H34 0.9300 . ?
C38 C39 1.384(15) . ?
C38 H38 0.9300 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C65 C66 1.455(17) . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C55 C56 1.370(15) . ?
C55 C54 1.461(16) . ?
C56 C57 1.308(18) . ?
C56 H56 0.9300 . ?
C57 C58 1.399(18) . ?
C57 H57 0.9300 . ?
C58 C59 1.379(15) . ?
C58 H58 0.9300 . ?
C59 C60 1.492(15) . ?
C60 C61 1.393(15) . ?
C61 C62 1.337(18) . ?
C61 H61 0.9300 . ?
C62 H62 0.9300 . ?
C64 H64 0.9300 . ?
C54 N9 1.324(14) . ?
C54 C53 1.419(16) . ?
C53 C52 1.36(2) . ?
C53 H53 0.9300 . ?
C52 C51 1.36(2) . ?
C52 H52 0.9300 . ?
C51 C50 1.364(16) . ?
C51 H51 0.9300 . ?
C50 N9 1.312(15) . ?
C50 H50 0.9300 . ?
O202 O203 1.63(3) . ?
C100 N100 1.02(4) . ?
C100 C101 1.32(4) . ?
C101 H10A 0.9600 . ?
C101 H10B 0.9600 . ?
C101 H10C 0.9600 . ?
C102 N101 1.07(4) . ?
C102 C103 1.34(4) . ?
C103 H10D 0.9600 . ?
C103 H10E 0.9600 . ?
C103 H10F 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
N4 Ru1 N5 79.4(3) . . ?
N4 Ru1 N2 94.5(3) . . ?
N5 Ru1 N2 93.9(3) . . ?
N4 Ru1 N6 91.1(3) . . ?
N5 Ru1 N6 88.0(3) . . ?
N2 Ru1 N6 174.3(3) . . ?
N4 Ru1 N1 170.6(3) . . ?
N5 Ru1 N1 96.7(3) . . ?
N2 Ru1 N1 77.2(4) . . ?
N6 Ru1 N1 97.3(3) . . ?
N4 Ru1 N3 79.8(4) . . ?
N5 Ru1 N3 159.1(3) . . ?
N2 Ru1 N3 89.1(3) . . ?
N6 Ru1 N3 91.1(4) . . ?
N1 Ru1 N3 104.2(4) . . ?
N10 Ru2 N8 94.7(3) . . ?
N10 Ru2 N12 90.6(3) . . ?
N8 Ru2 N12 174.0(3) . . ?
N10 Ru2 N7 172.3(3) . . ?
N8 Ru2 N7 78.0(3) . . ?
N12 Ru2 N7 96.8(3) . . ?
N10 Ru2 N11 77.8(3) . . ?
N8 Ru2 N11 87.1(3) . . ?
N12 Ru2 N11 91.3(3) . . ?
N7 Ru2 N11 104.1(3) . . ?
N10 Ru2 N9 77.7(4) . . ?
N8 Ru2 N9 95.5(4) . . ?
N12 Ru2 N9 88.3(4) . . ?
N7 Ru2 N9 100.3(3) . . ?
N11 Ru2 N9 155.5(3) . . ?
O101 Cl1 O9 115.3(15) . . ?
O101 Cl1 O104 112.2(14) . . ?
O101 Cl1 O10 100.8(15) . . ?
O9 Cl1 O10 130(2) . . ?
O101 Cl1 O8 127.7(15) . . ?
O9 Cl1 O8 96(2) . . ?
O10 Cl1 O8 87.8(19) . . ?
O101 Cl1 O102 113.1(14) . . ?
O104 Cl1 O102 112.9(18) . . ?
O101 Cl1 O103 97.7(14) . . ?
O104 Cl1 O103 108.8(17) . . ?
O102 Cl1 O103 111.1(18) . . ?
O204 Cl2 O201 116.1(13) . . ?
O14 Cl2 O201 110.5(14) . . ?
O204 Cl2 O202 129.1(14) . . ?
O201 Cl2 O202 114.7(9) . . ?
O14 Cl2 O15 102.7(16) . . ?
O201 Cl2 O15 113.0(10) . . ?
O204 Cl2 O203 97.1(17) . . ?
O201 Cl2 O203 112.4(12) . . ?
O202 Cl2 O203 66.4(12) . . ?
O13 Cl3 O11 109(2) . . ?
O13 Cl3 O12 121(2) . . ?
O11 Cl3 O12 103(2) . . ?
O304 Cl3 O303 127(2) . . ?
O304 Cl3 O301 110(2) . . ?
O303 Cl3 O301 109.5(19) . . ?
O13 Cl3 O302 118.5(18) . . ?
O304 Cl3 O302 88.4(16) . . ?
O11 Cl3 O302 105.0(15) . . ?
O12 Cl3 O302 98.4(16) . . ?
O303 Cl3 O302 115.4(15) . . ?
O301 Cl3 O302 103.5(14) . . ?
O7 Cl4 O6 82.7(19) . . ?
O7 Cl4 O402 117.1(19) . . ?
O6 Cl4 O402 105.0(15) . . ?
O402 Cl4 O403 109.8(12) . . ?
O402 Cl4 O401 113.8(10) . . ?
O403 Cl4 O401 114.1(12) . . ?
O7 Cl4 O5 128(2) . . ?
O6 Cl4 O5 97(2) . . ?
O402 Cl4 O5 113.6(13) . . ?
O402 Cl4 O404 107.9(10) . . ?
O403 Cl4 O404 106.0(14) . . ?
O401 Cl4 O404 104.5(13) . . ?
C22 N4 C26 123.6(9) . . ?
C22 N4 Ru1 118.3(7) . . ?
C26 N4 Ru1 117.8(7) . . ?
C31 N5 C27 109.1(8) . . ?
C31 N5 Ru1 132.8(7) . . ?
C27 N5 Ru1 116.2(6) . . ?
C35 N8 C43 118.5(8) . . ?
C35 N8 Ru2 115.4(6) . . ?
C43 N8 Ru2 125.4(6) . . ?
C46 O4 C49 117.5(11) . . ?
C34 N7 C36 118.3(8) . . ?
C34 N7 Ru2 113.6(6) . . ?
C36 N7 Ru2 127.8(6) . . ?
C39 O3 C42 119.3(9) . . ?
C40 C41 C36 121.2(9) . . ?
C40 C41 H41 119.4 . . ?
C36 C41 H41 119.4 . . ?
C59 N10 C55 119.6(8) . . ?
C59 N10 Ru2 120.8(6) . . ?
C55 N10 Ru2 119.0(7) . . ?
C64 N11 C60 117.3(9) . . ?
C64 N11 Ru2 128.9(7) . . ?
C60 N11 Ru2 113.7(6) . . ?
C28 C27 N5 125.8(11) . . ?
C28 C27 C26 122.7(12) . . ?
N5 C27 C26 111.5(8) . . ?
C17 N3 C21 117.6(10) . . ?
C17 N3 Ru1 130.3(9) . . ?
C21 N3 Ru1 111.9(7) . . ?
C2 N2 C10 117.3(9) . . ?
C2 N2 Ru1 117.2(8) . . ?
C10 N2 Ru1 125.2(7) . . ?
C1 N1 C3 116.8(9) . . ?
C1 N1 Ru1 114.8(8) . . ?
C3 N1 Ru1 128.2(7) . . ?
C6 O1 C9 117.8(11) . . ?
C32 N6 Ru1 175.9(10) . . ?
C48 C43 C44 119.6(9) . . ?
C48 C43 N8 121.0(8) . . ?
C44 C43 N8 119.3(9) . . ?
C47 C48 C43 120.4(9) . . ?
C47 C48 H48 119.8 . . ?
C43 C48 H48 119.8 . . ?
C36 C37 C38 121.0(10) . . ?
C36 C37 H37 119.5 . . ?
C38 C37 H37 119.5 . . ?
C41 C40 C39 119.6(9) . . ?
C41 C40 H40 120.2 . . ?
C39 C40 H40 120.2 . . ?
C65 N12 Ru2 174.2(11) . . ?
C62 C63 C64 120.1(11) . . ?
C62 C63 H63 120.0 . . ?
C64 C63 H63 120.0 . . ?
N4 C26 C25 119.9(10) . . ?
N4 C26 C27 114.7(9) . . ?
C25 C26 C27 125.4(10) . . ?
C27 C28 C29 118.6(13) . . ?
C27 C28 H28 120.7 . . ?
C29 C28 H28 120.7 . . ?
C30 C29 C28 119.0(13) . . ?
C30 C29 H29 120.5 . . ?
C28 C29 H29 120.5 . . ?
C29 C30 C31 118.3(14) . . ?
C29 C30 H30 120.9 . . ?
C31 C30 H30 120.9 . . ?
C30 C31 N5 128.5(13) . . ?
C30 C31 H31 115.8 . . ?
N5 C31 H31 115.8 . . ?
C26 C25 C24 118.2(11) . . ?
C26 C25 H25 120.9 . . ?
C24 C25 H25 120.9 . . ?
C25 C24 C23 120.1(11) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C24 C23 C22 118.4(12) . . ?
C24 C23 H23 120.8 . . ?
C22 C23 H23 120.8 . . ?
N4 C22 C23 119.8(10) . . ?
N4 C22 C21 114.7(9) . . ?
C23 C22 C21 125.5(10) . . ?
C20 C21 N3 121.4(11) . . ?
C20 C21 C22 124.2(11) . . ?
N3 C21 C22 114.4(9) . . ?
N3 C17 C18 123.1(12) . . ?
N3 C17 H17 118.4 . . ?
C18 C17 H17 118.4 . . ?
C19 C18 C17 120.0(13) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C20 117.1(12) . . ?
C18 C19 H19 121.4 . . ?
C20 C19 H19 121.4 . . ?
C21 C20 C19 120.6(12) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
N2 C2 C1 115.3(10) . . ?
N2 C2 H2 122.3 . . ?
C1 C2 H2 122.3 . . ?
N1 C1 C2 115.5(10) . . ?
N1 C1 H1 122.3 . . ?
C2 C1 H1 122.3 . . ?
C4 C3 C8 119.0(11) . . ?
C4 C3 N1 120.3(10) . . ?
C8 C3 N1 120.7(10) . . ?
C7 C8 C3 120.2(11) . . ?
C7 C8 H8 119.9 . . ?
C3 C8 H8 119.9 . . ?
C8 C7 C6 119.2(11) . . ?
C8 C7 H7 120.4 . . ?
C6 C7 H7 120.4 . . ?
O1 C6 C5 115.6(11) . . ?
O1 C6 C7 124.3(11) . . ?
C5 C6 C7 120.1(11) . . ?
O1 C9 H9A 109.5 . . ?
O1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
O1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C5 C4 122.2(11) . . ?
C6 C5 H5 118.9 . . ?
C4 C5 H5 118.9 . . ?
C5 C4 C3 119.1(11) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C11 C10 C15 120.4(11) . . ?
C11 C10 N2 120.1(10) . . ?
C15 C10 N2 119.3(10) . . ?
C14 C15 C10 119.0(12) . . ?
C14 C15 H15 120.5 . . ?
C10 C15 H15 120.5 . . ?
C15 C14 C13 121.1(12) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
O2 C13 C12 124.2(14) . . ?
O2 C13 C14 115.7(13) . . ?
C12 C13 C14 120.1(12) . . ?
C13 C12 C11 119.5(13) . . ?
C13 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C10 C11 C12 119.9(12) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C13 O2 C16 119.6(14) . . ?
O2 C16 H16A 109.5 . . ?
O2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N6 C32 C33 178.2(16) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C45 C44 C43 119.7(10) . . ?
C45 C44 H44 120.2 . . ?
C43 C44 H44 120.2 . . ?
C46 C45 C44 121.4(10) . . ?
C46 C45 H45 119.3 . . ?
C44 C45 H45 119.3 . . ?
O4 C46 C45 114.7(10) . . ?
O4 C46 C47 126.6(11) . . ?
C45 C46 C47 118.8(10) . . ?
C48 C47 C46 120.1(11) . . ?
C48 C47 H47 120.0 . . ?
C46 C47 H47 120.0 . . ?
O4 C49 H49A 109.5 . . ?
O4 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
O4 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
N8 C35 C34 116.2(9) . . ?
N8 C35 H35 121.9 . . ?
C34 C35 H35 121.9 . . ?
N7 C34 C35 116.6(9) . . ?
N7 C34 H34 121.7 . . ?
C35 C34 H34 121.7 . . ?
C37 C36 C41 119.0(9) . . ?
C37 C36 N7 120.2(8) . . ?
C41 C36 N7 120.9(8) . . ?
C37 C38 C39 120.3(10) . . ?
C37 C38 H38 119.9 . . ?
C39 C38 H38 119.9 . . ?
O3 C39 C38 116.9(10) . . ?
O3 C39 C40 124.2(10) . . ?
C38 C39 C40 118.9(10) . . ?
O3 C42 H42A 109.5 . . ?
O3 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
O3 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
N12 C65 C66 177.0(15) . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C56 C55 N10 118.9(11) . . ?
C56 C55 C54 128.7(11) . . ?
N10 C55 C54 112.4(9) . . ?
C57 C56 C55 121.9(13) . . ?
C57 C56 H56 119.1 . . ?
C55 C56 H56 119.1 . . ?
C56 C57 C58 120.0(12) . . ?
C56 C57 H57 120.0 . . ?
C58 C57 H57 120.0 . . ?
C59 C58 C57 118.2(12) . . ?
C59 C58 H58 120.9 . . ?
C57 C58 H58 120.9 . . ?
N10 C59 C58 121.2(10) . . ?
N10 C59 C60 110.8(9) . . ?
C58 C59 C60 127.8(11) . . ?
N11 C60 C61 120.9(11) . . ?
N11 C60 C59 116.0(9) . . ?
C61 C60 C59 123.1(11) . . ?
C62 C61 C60 120.5(12) . . ?
C62 C61 H61 119.7 . . ?
C60 C61 H61 119.7 . . ?
C61 C62 C63 118.6(11) . . ?
C61 C62 H62 120.7 . . ?
C63 C62 H62 120.7 . . ?
N11 C64 C63 122.4(11) . . ?
N11 C64 H64 118.8 . . ?
C63 C64 H64 118.8 . . ?
N9 C54 C53 117.3(11) . . ?
N9 C54 C55 117.6(10) . . ?
C53 C54 C55 124.9(11) . . ?
C52 C53 C54 119.7(12) . . ?
C52 C53 H53 120.1 . . ?
C54 C53 H53 120.1 . . ?
C53 C52 C51 119.2(12) . . ?
C53 C52 H52 120.4 . . ?
C51 C52 H52 120.4 . . ?
C52 C51 C50 119.6(12) . . ?
C52 C51 H51 120.2 . . ?
C50 C51 H51 120.2 . . ?
N9 C50 C51 120.4(12) . . ?
N9 C50 H50 119.8 . . ?
C51 C50 H50 119.8 . . ?
C50 N9 C54 123.2(10) . . ?
C50 N9 Ru2 123.2(9) . . ?
C54 N9 Ru2 112.7(8) . . ?
Cl2 O202 O203 60.2(12) . . ?
Cl2 O203 O202 53.3(11) . . ?
N100 C100 C101 174(4) . . ?
C100 C101 H10A 109.5 . . ?
C100 C101 H10B 109.5 . . ?
H10A C101 H10B 109.5 . . ?
C100 C101 H10C 109.5 . . ?
H10A C101 H10C 109.5 . . ?
H10B C101 H10C 109.5 . . ?
N101 C102 C103 176(4) . . ?
C102 C103 H10D 109.5 . . ?
C102 C103 H10E 109.5 . . ?
H10D C103 H10E 109.5 . . ?
C102 C103 H10F 109.5 . . ?
H10D C103 H10F 109.5 . . ?
H10E C103 H10F 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
C31 N5 C27 C28 -7.8(14) . . . . ?
Ru1 N5 C27 C28 -174.3(9) . . . . ?
C31 N5 C27 C26 173.0(8) . . . . ?
Ru1 N5 C27 C26 6.5(10) . . . . ?
C35 N8 C43 C48 60.0(12) . . . . ?
Ru2 N8 C43 C48 -110.5(9) . . . . ?
C35 N8 C43 C44 -123.7(10) . . . . ?
Ru2 N8 C43 C44 65.8(11) . . . . ?
C44 C43 C48 C47 0.7(16) . . . . ?
N8 C43 C48 C47 177.0(10) . . . . ?
C36 C41 C40 C39 0.8(16) . . . . ?
C22 N4 C26 C25 -2.2(15) . . . . ?
Ru1 N4 C26 C25 -176.0(8) . . . . ?
C22 N4 C26 C27 176.2(9) . . . . ?
Ru1 N4 C26 C27 2.4(11) . . . . ?
C28 C27 C26 N4 175.2(10) . . . . ?
N5 C27 C26 N4 -5.6(12) . . . . ?
C28 C27 C26 C25 -6.6(17) . . . . ?
N5 C27 C26 C25 172.7(9) . . . . ?
N5 C27 C28 C29 3.3(19) . . . . ?
C26 C27 C28 C29 -177.6(11) . . . . ?
C27 C28 C29 C30 5(2) . . . . ?
C28 C29 C30 C31 -8(2) . . . . ?
C29 C30 C31 N5 2(2) . . . . ?
C27 N5 C31 C30 5.0(18) . . . . ?
Ru1 N5 C31 C30 168.5(12) . . . . ?
N4 C26 C25 C24 2.4(16) . . . . ?
C27 C26 C25 C24 -175.8(11) . . . . ?
C26 C25 C24 C23 -1.4(19) . . . . ?
C25 C24 C23 C22 0(2) . . . . ?
C26 N4 C22 C23 1.0(16) . . . . ?
Ru1 N4 C22 C23 174.7(9) . . . . ?
C26 N4 C22 C21 179.1(9) . . . . ?
Ru1 N4 C22 C21 -7.2(12) . . . . ?
C24 C23 C22 N4 0.1(18) . . . . ?
C24 C23 C22 C21 -177.8(11) . . . . ?
C17 N3 C21 C20 2.9(16) . . . . ?
Ru1 N3 C21 C20 -173.4(9) . . . . ?
C17 N3 C21 C22 -177.6(9) . . . . ?
Ru1 N3 C21 C22 6.0(11) . . . . ?
N4 C22 C21 C20 179.7(11) . . . . ?
C23 C22 C21 C20 -2.3(19) . . . . ?
N4 C22 C21 N3 0.3(13) . . . . ?
C23 C22 C21 N3 178.3(11) . . . . ?
C21 N3 C17 C18 -0.5(17) . . . . ?
Ru1 N3 C17 C18 175.0(9) . . . . ?
N3 C17 C18 C19 -1(2) . . . . ?
C17 C18 C19 C20 0(2) . . . . ?
N3 C21 C20 C19 -4.0(19) . . . . ?
C22 C21 C20 C19 176.6(11) . . . . ?
C18 C19 C20 C21 3(2) . . . . ?
C10 N2 C2 C1 173.5(10) . . . . ?
Ru1 N2 C2 C1 -1.0(13) . . . . ?
C3 N1 C1 C2 177.8(10) . . . . ?
Ru1 N1 C1 C2 2.4(13) . . . . ?
N2 C2 C1 N1 -1.0(16) . . . . ?
C1 N1 C3 C4 137.1(11) . . . . ?
Ru1 N1 C3 C4 -48.2(14) . . . . ?
C1 N1 C3 C8 -44.8(15) . . . . ?
Ru1 N1 C3 C8 129.9(10) . . . . ?
C4 C3 C8 C7 -3.0(18) . . . . ?
N1 C3 C8 C7 178.9(11) . . . . ?
C3 C8 C7 C6 0.7(19) . . . . ?
C9 O1 C6 C5 -178.4(13) . . . . ?
C9 O1 C6 C7 -1(2) . . . . ?
C8 C7 C6 O1 -178.0(12) . . . . ?
C8 C7 C6 C5 -0.2(19) . . . . ?
O1 C6 C5 C4 -179.8(11) . . . . ?
C7 C6 C5 C4 2(2) . . . . ?
C6 C5 C4 C3 -4.5(19) . . . . ?
C8 C3 C4 C5 4.8(17) . . . . ?
N1 C3 C4 C5 -177.0(10) . . . . ?
C2 N2 C10 C11 -70.4(14) . . . . ?
Ru1 N2 C10 C11 103.5(11) . . . . ?
C2 N2 C10 C15 113.8(12) . . . . ?
Ru1 N2 C10 C15 -72.2(12) . . . . ?
C11 C10 C15 C14 1.2(17) . . . . ?
N2 C10 C15 C14 176.9(10) . . . . ?
C10 C15 C14 C13 -1.6(19) . . . . ?
C15 C14 C13 O2 178.9(12) . . . . ?
C15 C14 C13 C12 0(2) . . . . ?
O2 C13 C12 C11 -177.2(12) . . . . ?
C14 C13 C12 C11 1(2) . . . . ?
C15 C10 C11 C12 0.4(18) . . . . ?
N2 C10 C11 C12 -175.3(11) . . . . ?
C13 C12 C11 C10 -1.6(19) . . . . ?
C12 C13 O2 C16 -2(2) . . . . ?
C14 C13 O2 C16 179.2(17) . . . . ?
C48 C43 C44 C45 -0.3(16) . . . . ?
N8 C43 C44 C45 -176.6(9) . . . . ?
C43 C44 C45 C46 -1.1(18) . . . . ?
C49 O4 C46 C45 -174.4(15) . . . . ?
C49 O4 C46 C47 6(2) . . . . ?
C44 C45 C46 O4 -177.7(11) . . . . ?
C44 C45 C46 C47 1.9(19) . . . . ?
C43 C48 C47 C46 0.1(18) . . . . ?
O4 C46 C47 C48 178.1(11) . . . . ?
C45 C46 C47 C48 -1.4(18) . . . . ?
C43 N8 C35 C34 -176.8(9) . . . . ?
Ru2 N8 C35 C34 -5.4(12) . . . . ?
C36 N7 C34 C35 -174.4(9) . . . . ?
Ru2 N7 C34 C35 0.5(12) . . . . ?
N8 C35 C34 N7 3.2(15) . . . . ?
C38 C37 C36 C41 -1.7(15) . . . . ?
C38 C37 C36 N7 178.1(9) . . . . ?
C40 C41 C36 C37 1.2(15) . . . . ?
C40 C41 C36 N7 -178.7(9) . . . . ?
C34 N7 C36 C37 -127.4(10) . . . . ?
Ru2 N7 C36 C37 58.5(11) . . . . ?
C34 N7 C36 C41 52.4(12) . . . . ?
Ru2 N7 C36 C41 -121.7(8) . . . . ?
C36 C37 C38 C39 0.3(17) . . . . ?
C42 O3 C39 C38 175.4(12) . . . . ?
C42 O3 C39 C40 -5.3(17) . . . . ?
C37 C38 C39 O3 -179.0(10) . . . . ?
C37 C38 C39 C40 1.6(16) . . . . ?
C41 C40 C39 O3 178.6(10) . . . . ?
C41 C40 C39 C38 -2.1(16) . . . . ?
C59 N10 C55 C56 3.8(15) . . . . ?
Ru2 N10 C55 C56 174.8(8) . . . . ?
C59 N10 C55 C54 -176.5(9) . . . . ?
Ru2 N10 C55 C54 -5.4(11) . . . . ?
N10 C55 C56 C57 0.9(19) . . . . ?
C54 C55 C56 C57 -178.8(12) . . . . ?
C55 C56 C57 C58 -3(2) . . . . ?
C56 C57 C58 C59 1(2) . . . . ?
C55 N10 C59 C58 -6.2(15) . . . . ?
Ru2 N10 C59 C58 -177.1(8) . . . . ?
C55 N10 C59 C60 178.1(8) . . . . ?
Ru2 N10 C59 C60 7.2(11) . . . . ?
C57 C58 C59 N10 4.1(17) . . . . ?
C57 C58 C59 C60 178.9(11) . . . . ?
C64 N11 C60 C61 -1.3(15) . . . . ?
Ru2 N11 C60 C61 175.8(8) . . . . ?
C64 N11 C60 C59 176.0(9) . . . . ?
Ru2 N11 C60 C59 -6.9(11) . . . . ?
N10 C59 C60 N11 0.3(12) . . . . ?
C58 C59 C60 N11 -175.0(11) . . . . ?
N10 C59 C60 C61 177.5(10) . . . . ?
C58 C59 C60 C61 2.2(18) . . . . ?
N11 C60 C61 C62 -0.6(18) . . . . ?
C59 C60 C61 C62 -177.6(11) . . . . ?
C60 C61 C62 C63 3(2) . . . . ?
C64 C63 C62 C61 -4.2(19) . . . . ?
C60 N11 C64 C63 0.3(16) . . . . ?
Ru2 N11 C64 C63 -176.2(8) . . . . ?
C62 C63 C64 N11 2.5(18) . . . . ?
C56 C55 C54 N9 -171.2(12) . . . . ?
N10 C55 C54 N9 9.1(14) . . . . ?
C56 C55 C54 C53 2.6(19) . . . . ?
N10 C55 C54 C53 -177.1(10) . . . . ?
N9 C54 C53 C52 -7.1(19) . . . . ?
C55 C54 C53 C52 179.1(12) . . . . ?
C54 C53 C52 C51 6(2) . . . . ?
C53 C52 C51 C50 -5(2) . . . . ?
C52 C51 C50 N9 5(2) . . . . ?
C51 C50 N9 C54 -8(2) . . . . ?
C51 C50 N9 Ru2 -175.7(10) . . . . ?
C53 C54 N9 C50 8.2(19) . . . . ?
C55 C54 N9 C50 -177.6(12) . . . . ?
C53 C54 N9 Ru2 177.5(8) . . . . ?
C55 C54 N9 Ru2 -8.3(14) . . . . ?
O204 Cl2 O202 O203 -80(2) . . . . ?
O201 Cl2 O202 O203 104.9(14) . . . . ?
O204 Cl2 O203 O202 129.7(15) . . . . ?
O201 Cl2 O203 O202 -108.2(11) . . . . ?

_refine_diff_density_max         1.801
_refine_diff_density_min         -1.479
_refine_diff_density_rms         0.138


# start Validation Reply Form
_vrf_PLAT230_SB-RS-18-M1         
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PROBLEM: Hirshfeld Test Diff for N5 --C27 . 8.9 s.u.
RESPONSE: This is due to the poor quality of the diffraction data.
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# end Validation Reply Form

