# 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 2017

####################################################################### 
# 
# 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_2b
_database_code_depnum_ccdc_archive 'CCDC 1557875'
_audit_update_record             
;
2017-06-22 deposited with the CCDC.
2017-08-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C43 H30 N7 O Ru, Cl O4'
_chemical_formula_sum            'C43 H30 Cl N7 O5 Ru'
_chemical_formula_weight         861.26

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   9.789(5)
_cell_length_b                   11.682(5)
_cell_length_c                   17.495(5)
_cell_angle_alpha                100.545(5)
_cell_angle_beta                 101.652(5)
_cell_angle_gamma                106.138(5)
_cell_volume                     1820.4(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    7656
_cell_measurement_theta_min      2.37
_cell_measurement_theta_max      27.54

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_F_000             876
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.28
_exptl_absorpt_coefficient_mu    0.564
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.790
_exptl_absorpt_correction_T_max  0.844
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'

_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            44301
_diffrn_reflns_av_unetI/netI     0.0721
_diffrn_reflns_av_R_equivalents  0.0741
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.412
_diffrn_reflns_theta_max         29.130
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9729
_reflns_number_gt                6517
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0452P)²+1.0000P] 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         9729
_refine_ls_number_parameters     514
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0915
_refine_ls_R_factor_gt           0.0493
_refine_ls_wR_factor_ref         0.1181
_refine_ls_wR_factor_gt          0.1001
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Ru Ru 0.94382(3) 0.06969(2) 0.21658(2) 0.03219(9) Uani 1 1 d . . . . .
N1 N 0.8463(3) 0.1470(3) 0.13559(16) 0.0396(7) Uani 1 1 d . . . . .
N2 N 0.7867(3) -0.0472(3) 0.04538(16) 0.0430(7) Uani 1 1 d . . . . .
N3 N 0.8744(3) -0.0679(2) 0.10937(15) 0.0344(6) Uani 1 1 d . . . . .
N4 N 1.1499(3) 0.1592(2) 0.20591(15) 0.0351(6) Uani 1 1 d . . . . .
N5 N 1.0134(3) 0.2219(2) 0.31456(15) 0.0346(6) Uani 1 1 d . . . . .
N6 N 1.0211(3) -0.0133(2) 0.30452(15) 0.0340(6) Uani 1 1 d . . . . .
N7 N 0.7495(3) -0.0171(3) 0.24110(16) 0.0387(6) Uani 1 1 d . . . . .
O1 O 1.1344(3) -0.1466(3) 0.16888(16) 0.0577(7) Uani 1 1 d . . . . .
C1 C 0.8380(5) 0.2616(3) 0.1479(2) 0.0530(10) Uani 1 1 d . . . . .
H1 H 0.8853 0.3155 0.1985 0.064 Uiso 1 1 calc R U . . .
C2 C 0.7639(5) 0.3031(4) 0.0902(2) 0.0644(12) Uani 1 1 d . . . . .
H2 H 0.7606 0.3831 0.1012 0.077 Uiso 1 1 calc R U . . .
C3 C 0.6941(5) 0.2231(4) 0.0148(2) 0.0641(12) Uani 1 1 d . . . . .
H3 H 0.6430 0.2491 -0.0257 0.077 Uiso 1 1 calc R U . . .
C4 C 0.6998(5) 0.1072(4) 0.0000(2) 0.0556(10) Uani 1 1 d . . . . .
H4 H 0.6515 0.0531 -0.0506 0.067 Uiso 1 1 calc R U . . .
C5 C 0.7790(4) 0.0676(3) 0.06085(19) 0.0398(8) Uani 1 1 d . . . . .
C6 C 0.8913(4) -0.1766(3) 0.09701(19) 0.0353(7) Uani 1 1 d . . . . .
C7 C 1.0040(4) -0.2004(3) 0.15820(19) 0.0395(8) Uani 1 1 d . . . . .
C8 C 0.9520(4) -0.2935(3) 0.2027(2) 0.0429(8) Uani 1 1 d . . . . .
C9 C 0.8058(4) -0.3359(3) 0.2034(2) 0.0461(9) Uani 1 1 d . . . . .
H9 H 0.7367 -0.3108 0.1720 0.055 Uiso 1 1 calc R U . . .
C10 C 0.7605(5) -0.4147(4) 0.2498(2) 0.0630(12) Uani 1 1 d . . . . .
H10 H 0.6618 -0.4418 0.2499 0.076 Uiso 1 1 calc R U . . .
C11 C 0.8608(7) -0.4531(4) 0.2958(3) 0.0781(15) Uani 1 1 d . . . . .
H11 H 0.8304 -0.5059 0.3274 0.094 Uiso 1 1 calc R U . . .
C12 C 1.0056(7) -0.4137(4) 0.2952(3) 0.0801(15) Uani 1 1 d . . . . .
H12 H 1.0733 -0.4408 0.3260 0.096 Uiso 1 1 calc R U . . .
C13 C 1.0525(5) -0.3338(4) 0.2492(3) 0.0634(12) Uani 1 1 d . . . . .
H13 H 1.1514 -0.3072 0.2495 0.076 Uiso 1 1 calc R U . . .
C14 C 0.8146(4) -0.2814(3) 0.0244(2) 0.0438(8) Uani 1 1 d . . . . .
C15 C 0.8923(6) -0.3427(5) -0.0124(3) 0.0807(15) Uani 1 1 d . . . . .
H15 H 0.9949 -0.3135 0.0053 0.097 Uiso 1 1 calc R U . . .
C16 C 0.8240(8) -0.4469(6) -0.0752(3) 0.110(2) Uani 1 1 d . . . . .
H16 H 0.8806 -0.4856 -0.1000 0.132 Uiso 1 1 calc R U . . .
C17 C 0.6751(8) -0.4933(5) -0.1010(3) 0.0959(19) Uani 1 1 d . . . . .
H17 H 0.6288 -0.5645 -0.1428 0.115 Uiso 1 1 calc R U . . .
C18 C 0.5937(6) -0.4340(5) -0.0649(3) 0.0811(15) Uani 1 1 d . . . . .
H18 H 0.4912 -0.4654 -0.0819 0.097 Uiso 1 1 calc R U . . .
C19 C 0.6621(5) -0.3281(4) -0.0034(2) 0.0614(11) Uani 1 1 d . . . . .
H19 H 0.6053 -0.2875 0.0198 0.074 Uiso 1 1 calc R U . . .
C20 C 1.2161(4) 0.1277(3) 0.14993(19) 0.0422(8) Uani 1 1 d . . . . .
H20 H 1.1625 0.0609 0.1060 0.051 Uiso 1 1 calc R U . . .
C21 C 1.3618(4) 0.1904(3) 0.1543(2) 0.0504(10) Uani 1 1 d . . . . .
H21 H 1.4044 0.1649 0.1142 0.060 Uiso 1 1 calc R U . . .
C22 C 1.4418(4) 0.2894(4) 0.2174(2) 0.0528(10) Uani 1 1 d . . . . .
H22 H 1.5404 0.3300 0.2216 0.063 Uiso 1 1 calc R U . . .
C23 C 1.3755(4) 0.3305(3) 0.2765(2) 0.0425(8) Uani 1 1 d . . . . .
C24 C 1.2295(4) 0.2613(3) 0.26859(18) 0.0345(7) Uani 1 1 d . . . . .
C25 C 1.1548(4) 0.2940(3) 0.32619(18) 0.0346(7) Uani 1 1 d . . . . .
C26 C 1.2277(4) 0.3983(3) 0.39170(19) 0.0387(8) Uani 1 1 d . . . . .
C27 C 1.1492(4) 0.4244(3) 0.4477(2) 0.0476(9) Uani 1 1 d . . . . .
H27 H 1.1935 0.4908 0.4930 0.057 Uiso 1 1 calc R U . . .
C28 C 1.0075(4) 0.3514(3) 0.4350(2) 0.0465(9) Uani 1 1 d . . . . .
H28 H 0.9542 0.3686 0.4714 0.056 Uiso 1 1 calc R U . . .
C29 C 0.9415(4) 0.2511(3) 0.3678(2) 0.0419(8) Uani 1 1 d . . . . .
H29 H 0.8440 0.2032 0.3601 0.050 Uiso 1 1 calc R U . . .
C30 C 1.4455(4) 0.4361(3) 0.3427(2) 0.0505(9) Uani 1 1 d . . . . .
H30 H 1.5422 0.4837 0.3484 0.061 Uiso 1 1 calc R U . . .
C31 C 1.3755(4) 0.4690(3) 0.3972(2) 0.0494(9) Uani 1 1 d . . . . .
H31 H 1.4244 0.5392 0.4395 0.059 Uiso 1 1 calc R U . . .
C32 C 1.1582(4) -0.0060(3) 0.3382(2) 0.0404(8) Uani 1 1 d . . . . .
H32 H 1.2327 0.0326 0.3168 0.049 Uiso 1 1 calc R U . . .
C33 C 1.1966(4) -0.0529(3) 0.4038(2) 0.0505(9) Uani 1 1 d . . . . .
H33 H 1.2946 -0.0454 0.4254 0.061 Uiso 1 1 calc R U . . .
C34 C 1.0897(5) -0.1098(4) 0.4364(2) 0.0545(10) Uani 1 1 d . . . . .
H34 H 1.1143 -0.1417 0.4802 0.065 Uiso 1 1 calc R U . . .
C35 C 0.9422(4) -0.1201(3) 0.4035(2) 0.0469(9) Uani 1 1 d . . . . .
C36 C 0.9137(4) -0.0684(3) 0.33777(18) 0.0366(7) Uani 1 1 d . . . . .
C37 C 0.7670(4) -0.0739(3) 0.30195(19) 0.0379(8) Uani 1 1 d . . . . .
C38 C 0.6496(4) -0.1354(3) 0.3304(2) 0.0492(9) Uani 1 1 d . . . . .
C39 C 0.5077(4) -0.1391(4) 0.2906(3) 0.0643(12) Uani 1 1 d . . . . .
H39 H 0.4262 -0.1780 0.3070 0.077 Uiso 1 1 calc R U . . .
C40 C 0.4900(4) -0.0861(4) 0.2284(3) 0.0682(13) Uani 1 1 d . . . . .
H40 H 0.3960 -0.0907 0.2010 0.082 Uiso 1 1 calc R U . . .
C41 C 0.6121(4) -0.0247(4) 0.2054(2) 0.0559(10) Uani 1 1 d . . . . .
H41 H 0.5975 0.0127 0.1633 0.067 Uiso 1 1 calc R U . . .
C42 C 0.8207(5) -0.1782(4) 0.4320(2) 0.0610(11) Uani 1 1 d . . . . .
H42 H 0.8382 -0.2114 0.4760 0.073 Uiso 1 1 calc R U . . .
C43 C 0.6807(5) -0.1864(4) 0.3966(3) 0.0625(12) Uani 1 1 d . . . . .
H43 H 0.6039 -0.2261 0.4161 0.075 Uiso 1 1 calc R U . . .
Cl1 Cl 0.59092(13) 0.21993(11) 0.44724(7) 0.0679(3) Uani 1 1 d . . . . .
O2 O 0.4460(3) 0.2257(4) 0.4427(2) 0.0904(11) Uani 1 1 d . . . . .
O3 O 0.6750(5) 0.2670(4) 0.5299(2) 0.1258(16) Uani 1 1 d . . . . .
O4 O 0.5943(6) 0.1035(4) 0.4205(3) 0.164(2) Uani 1 1 d . . . . .
O5 O 0.6613(4) 0.3066(4) 0.4050(3) 0.1087(13) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru N1 2.034(3) . ?
Ru N7 2.061(3) . ?
Ru N4 2.061(3) . ?
Ru N5 2.075(3) . ?
Ru N3 2.083(3) . ?
Ru N6 2.089(3) . ?
N1 C1 1.344(4) . ?
N1 C5 1.369(4) . ?
N2 C5 1.345(4) . ?
N2 N3 1.370(4) . ?
N3 C6 1.310(4) . ?
N4 C20 1.331(4) . ?
N4 C24 1.376(4) . ?
N5 C29 1.328(4) . ?
N5 C25 1.357(4) . ?
N6 C32 1.324(4) . ?
N6 C36 1.366(4) . ?
N7 C41 1.334(4) . ?
N7 C37 1.360(4) . ?
O1 C7 1.214(4) . ?
C1 C2 1.364(5) . ?
C1 H1 0.9300 . ?
C2 C3 1.381(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.351(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.412(5) . ?
C4 H4 0.9300 . ?
C6 C14 1.487(4) . ?
C6 C7 1.497(5) . ?
C7 C8 1.487(5) . ?
C8 C9 1.382(5) . ?
C8 C13 1.388(5) . ?
C9 C10 1.377(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.367(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.367(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.383(6) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.356(6) . ?
C14 C19 1.385(5) . ?
C15 C16 1.378(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.352(8) . ?
C16 H16 0.9300 . ?
C17 C18 1.366(7) . ?
C17 H17 0.9300 . ?
C18 C19 1.378(6) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.390(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.360(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.407(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.397(5) . ?
C23 C30 1.422(5) . ?
C24 C25 1.418(4) . ?
C25 C26 1.408(4) . ?
C26 C27 1.403(5) . ?
C26 C31 1.427(5) . ?
C27 C28 1.360(5) . ?
C27 H27 0.9300 . ?
C28 C29 1.393(5) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 C31 1.342(5) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 C33 1.390(5) . ?
C32 H32 0.9300 . ?
C33 C34 1.362(5) . ?
C33 H33 0.9300 . ?
C34 C35 1.405(5) . ?
C34 H34 0.9300 . ?
C35 C36 1.408(5) . ?
C35 C42 1.428(5) . ?
C36 C37 1.425(5) . ?
C37 C38 1.410(5) . ?
C38 C39 1.408(6) . ?
C38 C43 1.414(6) . ?
C39 C40 1.351(6) . ?
C39 H39 0.9300 . ?
C40 C41 1.389(6) . ?
C40 H40 0.9300 . ?
C41 H41 0.9300 . ?
C42 C43 1.354(6) . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
Cl1 O4 1.367(4) . ?
Cl1 O2 1.426(3) . ?
Cl1 O3 1.431(4) . ?
Cl1 O5 1.462(4) . ?

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 Ru N7 94.03(12) . . ?
N1 Ru N4 91.40(11) . . ?
N7 Ru N4 173.36(10) . . ?
N1 Ru N5 96.38(11) . . ?
N7 Ru N5 96.08(10) . . ?
N4 Ru N5 79.52(10) . . ?
N1 Ru N3 77.25(11) . . ?
N7 Ru N3 87.42(10) . . ?
N4 Ru N3 97.50(10) . . ?
N5 Ru N3 172.97(10) . . ?
N1 Ru N6 173.15(11) . . ?
N7 Ru N6 79.41(11) . . ?
N4 Ru N6 95.01(10) . . ?
N5 Ru N6 82.47(10) . . ?
N3 Ru N6 104.21(11) . . ?
C1 N1 C5 118.6(3) . . ?
C1 N1 Ru 128.1(2) . . ?
C5 N1 Ru 113.2(2) . . ?
C5 N2 N3 112.5(3) . . ?
C6 N3 N2 115.5(3) . . ?
C6 N3 Ru 128.6(2) . . ?
N2 N3 Ru 115.5(2) . . ?
C20 N4 C24 117.4(3) . . ?
C20 N4 Ru 128.9(2) . . ?
C24 N4 Ru 113.6(2) . . ?
C29 N5 C25 118.2(3) . . ?
C29 N5 Ru 128.5(2) . . ?
C25 N5 Ru 113.2(2) . . ?
C32 N6 C36 117.4(3) . . ?
C32 N6 Ru 129.4(2) . . ?
C36 N6 Ru 112.6(2) . . ?
C41 N7 C37 117.1(3) . . ?
C41 N7 Ru 128.8(3) . . ?
C37 N7 Ru 114.1(2) . . ?
N1 C1 C2 123.7(4) . . ?
N1 C1 H1 118.2 . . ?
C2 C1 H1 118.2 . . ?
C1 C2 C3 118.1(4) . . ?
C1 C2 H2 120.9 . . ?
C3 C2 H2 120.9 . . ?
C4 C3 C2 120.1(4) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.3(4) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
N2 C5 N1 120.7(3) . . ?
N2 C5 C4 120.1(3) . . ?
N1 C5 C4 119.2(3) . . ?
N3 C6 C14 126.6(3) . . ?
N3 C6 C7 119.2(3) . . ?
C14 C6 C7 114.1(3) . . ?
O1 C7 C8 121.6(3) . . ?
O1 C7 C6 120.0(3) . . ?
C8 C7 C6 118.4(3) . . ?
C9 C8 C13 118.2(4) . . ?
C9 C8 C7 121.5(3) . . ?
C13 C8 C7 120.1(4) . . ?
C10 C9 C8 121.2(4) . . ?
C10 C9 H9 119.4 . . ?
C8 C9 H9 119.4 . . ?
C11 C10 C9 120.0(5) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C11 C12 119.9(4) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C12 C13 120.6(4) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
C12 C13 C8 120.1(4) . . ?
C12 C13 H13 120.0 . . ?
C8 C13 H13 120.0 . . ?
C15 C14 C19 117.3(4) . . ?
C15 C14 C6 120.4(4) . . ?
C19 C14 C6 122.0(3) . . ?
C14 C15 C16 121.9(5) . . ?
C14 C15 H15 119.0 . . ?
C16 C15 H15 119.0 . . ?
C17 C16 C15 120.4(5) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 119.0(5) . . ?
C16 C17 H17 120.5 . . ?
C18 C17 H17 120.5 . . ?
C17 C18 C19 120.6(5) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C18 C19 C14 120.7(5) . . ?
C18 C19 H19 119.7 . . ?
C14 C19 H19 119.7 . . ?
N4 C20 C21 122.8(3) . . ?
N4 C20 H20 118.6 . . ?
C21 C20 H20 118.6 . . ?
C22 C21 C20 119.7(3) . . ?
C22 C21 H21 120.2 . . ?
C20 C21 H21 120.2 . . ?
C21 C22 C23 120.0(3) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C24 C23 C22 116.8(3) . . ?
C24 C23 C30 118.1(3) . . ?
C22 C23 C30 125.0(3) . . ?
N4 C24 C23 123.1(3) . . ?
N4 C24 C25 116.1(3) . . ?
C23 C24 C25 120.8(3) . . ?
N5 C25 C26 123.0(3) . . ?
N5 C25 C24 117.3(3) . . ?
C26 C25 C24 119.7(3) . . ?
C27 C26 C25 117.1(3) . . ?
C27 C26 C31 124.6(3) . . ?
C25 C26 C31 118.3(3) . . ?
C28 C27 C26 119.1(3) . . ?
C28 C27 H27 120.5 . . ?
C26 C27 H27 120.5 . . ?
C27 C28 C29 120.6(3) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
N5 C29 C28 122.0(3) . . ?
N5 C29 H29 119.0 . . ?
C28 C29 H29 119.0 . . ?
C31 C30 C23 121.7(3) . . ?
C31 C30 H30 119.1 . . ?
C23 C30 H30 119.1 . . ?
C30 C31 C26 121.3(3) . . ?
C30 C31 H31 119.4 . . ?
C26 C31 H31 119.4 . . ?
N6 C32 C33 123.5(3) . . ?
N6 C32 H32 118.3 . . ?
C33 C32 H32 118.3 . . ?
C34 C33 C32 119.5(4) . . ?
C34 C33 H33 120.3 . . ?
C32 C33 H33 120.3 . . ?
C33 C34 C35 119.7(3) . . ?
C33 C34 H34 120.2 . . ?
C35 C34 H34 120.2 . . ?
C34 C35 C36 116.9(3) . . ?
C34 C35 C42 124.9(4) . . ?
C36 C35 C42 118.2(4) . . ?
N6 C36 C35 123.0(3) . . ?
N6 C36 C37 116.9(3) . . ?
C35 C36 C37 120.1(3) . . ?
N7 C37 C38 123.6(3) . . ?
N7 C37 C36 116.5(3) . . ?
C38 C37 C36 119.8(3) . . ?
C39 C38 C37 116.3(4) . . ?
C39 C38 C43 124.6(4) . . ?
C37 C38 C43 119.1(4) . . ?
C40 C39 C38 119.9(4) . . ?
C40 C39 H39 120.0 . . ?
C38 C39 H39 120.0 . . ?
C39 C40 C41 120.1(4) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
N7 C41 C40 122.9(4) . . ?
N7 C41 H41 118.6 . . ?
C40 C41 H41 118.6 . . ?
C43 C42 C35 121.7(4) . . ?
C43 C42 H42 119.1 . . ?
C35 C42 H42 119.1 . . ?
C42 C43 C38 120.9(4) . . ?
C42 C43 H43 119.5 . . ?
C38 C43 H43 119.5 . . ?
O4 Cl1 O2 113.8(3) . . ?
O4 Cl1 O3 108.3(3) . . ?
O2 Cl1 O3 107.9(3) . . ?
O4 Cl1 O5 113.2(3) . . ?
O2 Cl1 O5 107.9(2) . . ?
O3 Cl1 O5 105.4(3) . . ?

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
C5 N2 N3 C6 -177.3(3) . . . . ?
C5 N2 N3 Ru 9.0(3) . . . . ?
C5 N1 C1 C2 1.0(6) . . . . ?
Ru N1 C1 C2 -176.9(3) . . . . ?
N1 C1 C2 C3 -0.2(7) . . . . ?
C1 C2 C3 C4 0.2(7) . . . . ?
C2 C3 C4 C5 -0.9(7) . . . . ?
N3 N2 C5 N1 -4.0(5) . . . . ?
N3 N2 C5 C4 176.5(3) . . . . ?
C1 N1 C5 N2 178.8(3) . . . . ?
Ru N1 C5 N2 -3.0(4) . . . . ?
C1 N1 C5 C4 -1.7(5) . . . . ?
Ru N1 C5 C4 176.5(3) . . . . ?
C3 C4 C5 N2 -178.8(4) . . . . ?
C3 C4 C5 N1 1.7(6) . . . . ?
N2 N3 C6 C14 -6.2(5) . . . . ?
Ru N3 C6 C14 166.5(2) . . . . ?
N2 N3 C6 C7 170.2(3) . . . . ?
Ru N3 C6 C7 -17.2(4) . . . . ?
N3 C6 C7 O1 -66.8(4) . . . . ?
C14 C6 C7 O1 110.0(4) . . . . ?
N3 C6 C7 C8 115.2(3) . . . . ?
C14 C6 C7 C8 -68.0(4) . . . . ?
O1 C7 C8 C9 166.5(3) . . . . ?
C6 C7 C8 C9 -15.5(5) . . . . ?
O1 C7 C8 C13 -9.2(5) . . . . ?
C6 C7 C8 C13 168.8(3) . . . . ?
C13 C8 C9 C10 1.0(5) . . . . ?
C7 C8 C9 C10 -174.8(3) . . . . ?
C8 C9 C10 C11 -0.5(6) . . . . ?
C9 C10 C11 C12 -0.4(7) . . . . ?
C10 C11 C12 C13 0.8(7) . . . . ?
C11 C12 C13 C8 -0.4(7) . . . . ?
C9 C8 C13 C12 -0.5(6) . . . . ?
C7 C8 C13 C12 175.3(4) . . . . ?
N3 C6 C14 C15 131.6(4) . . . . ?
C7 C6 C14 C15 -44.9(5) . . . . ?
N3 C6 C14 C19 -55.0(5) . . . . ?
C7 C6 C14 C19 128.6(4) . . . . ?
C19 C14 C15 C16 0.3(8) . . . . ?
C6 C14 C15 C16 174.1(5) . . . . ?
C14 C15 C16 C17 -1.6(10) . . . . ?
C15 C16 C17 C18 1.2(10) . . . . ?
C16 C17 C18 C19 0.4(9) . . . . ?
C17 C18 C19 C14 -1.7(7) . . . . ?
C15 C14 C19 C18 1.3(6) . . . . ?
C6 C14 C19 C18 -172.4(4) . . . . ?
C24 N4 C20 C21 2.6(5) . . . . ?
Ru N4 C20 C21 -173.6(3) . . . . ?
N4 C20 C21 C22 -0.8(6) . . . . ?
C20 C21 C22 C23 -2.2(6) . . . . ?
C21 C22 C23 C24 3.2(6) . . . . ?
C21 C22 C23 C30 -176.6(4) . . . . ?
C20 N4 C24 C23 -1.4(5) . . . . ?
Ru N4 C24 C23 175.4(3) . . . . ?
C20 N4 C24 C25 178.6(3) . . . . ?
Ru N4 C24 C25 -4.7(4) . . . . ?
C22 C23 C24 N4 -1.5(5) . . . . ?
C30 C23 C24 N4 178.4(3) . . . . ?
C22 C23 C24 C25 178.6(3) . . . . ?
C30 C23 C24 C25 -1.5(5) . . . . ?
C29 N5 C25 C26 -0.4(5) . . . . ?
Ru N5 C25 C26 -176.3(3) . . . . ?
C29 N5 C25 C24 -180.0(3) . . . . ?
Ru N5 C25 C24 4.1(4) . . . . ?
N4 C24 C25 N5 0.4(4) . . . . ?
C23 C24 C25 N5 -179.7(3) . . . . ?
N4 C24 C25 C26 -179.2(3) . . . . ?
C23 C24 C25 C26 0.7(5) . . . . ?
N5 C25 C26 C27 1.8(5) . . . . ?
C24 C25 C26 C27 -178.6(3) . . . . ?
N5 C25 C26 C31 -178.8(3) . . . . ?
C24 C25 C26 C31 0.8(5) . . . . ?
C25 C26 C27 C28 -2.0(5) . . . . ?
C31 C26 C27 C28 178.7(4) . . . . ?
C26 C27 C28 C29 0.8(6) . . . . ?
C25 N5 C29 C28 -1.0(5) . . . . ?
Ru N5 C29 C28 174.3(3) . . . . ?
C27 C28 C29 N5 0.8(6) . . . . ?
C24 C23 C30 C31 0.8(6) . . . . ?
C22 C23 C30 C31 -179.3(4) . . . . ?
C23 C30 C31 C26 0.7(6) . . . . ?
C27 C26 C31 C30 177.8(4) . . . . ?
C25 C26 C31 C30 -1.5(5) . . . . ?
C36 N6 C32 C33 1.1(5) . . . . ?
Ru N6 C32 C33 171.2(3) . . . . ?
N6 C32 C33 C34 0.0(6) . . . . ?
C32 C33 C34 C35 -0.2(6) . . . . ?
C33 C34 C35 C36 -0.7(5) . . . . ?
C33 C34 C35 C42 179.6(4) . . . . ?
C32 N6 C36 C35 -2.1(5) . . . . ?
Ru N6 C36 C35 -173.8(3) . . . . ?
C32 N6 C36 C37 178.9(3) . . . . ?
Ru N6 C36 C37 7.2(3) . . . . ?
C34 C35 C36 N6 1.9(5) . . . . ?
C42 C35 C36 N6 -178.4(3) . . . . ?
C34 C35 C36 C37 -179.2(3) . . . . ?
C42 C35 C36 C37 0.6(5) . . . . ?
C41 N7 C37 C38 -2.3(5) . . . . ?
Ru N7 C37 C38 178.0(3) . . . . ?
C41 N7 C37 C36 178.0(3) . . . . ?
Ru N7 C37 C36 -1.7(3) . . . . ?
N6 C36 C37 N7 -3.8(4) . . . . ?
C35 C36 C37 N7 177.2(3) . . . . ?
N6 C36 C37 C38 176.5(3) . . . . ?
C35 C36 C37 C38 -2.5(5) . . . . ?
N7 C37 C38 C39 1.7(5) . . . . ?
C36 C37 C38 C39 -178.6(3) . . . . ?
N7 C37 C38 C43 -177.0(3) . . . . ?
C36 C37 C38 C43 2.7(5) . . . . ?
C37 C38 C39 C40 0.5(6) . . . . ?
C43 C38 C39 C40 179.1(4) . . . . ?
C38 C39 C40 C41 -2.0(7) . . . . ?
C37 N7 C41 C40 0.6(5) . . . . ?
Ru N7 C41 C40 -179.6(3) . . . . ?
C39 C40 C41 N7 1.5(7) . . . . ?
C34 C35 C42 C43 -179.1(4) . . . . ?
C36 C35 C42 C43 1.2(6) . . . . ?
C35 C42 C43 C38 -1.1(6) . . . . ?
C39 C38 C43 C42 -179.5(4) . . . . ?
C37 C38 C43 C42 -0.9(6) . . . . ?

_refine_diff_density_max         0.592
_refine_diff_density_min         -0.685
_refine_diff_density_rms         0.085

####################################################################### 
# 
# 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_1a
_database_code_depnum_ccdc_archive 'CCDC 1557876'
_audit_update_record             
;
2017-08-01 deposited with the CCDC.
2017-08-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C39 H31 N7 O2 Ru, 2(Cl O4), H2 O'
_chemical_formula_sum            'C39 H33 Cl2 N7 O10 Ru'
_chemical_formula_weight         931.69

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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                   9.5224(9)
_cell_length_b                   23.282(2)
_cell_length_c                   18.7461(18)
_cell_angle_alpha                90
_cell_angle_beta                 102.086(4)
_cell_angle_gamma                90
_cell_volume                     4064.0(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3936
_cell_measurement_theta_min      2.49
_cell_measurement_theta_max      24.56

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_F_000             1896
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_absorpt_coefficient_mu    0.583
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.24
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.790
_exptl_absorpt_correction_T_max  0.844
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'

_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            74594
_diffrn_reflns_av_unetI/netI     0.0386
_diffrn_reflns_av_R_equivalents  0.0601
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.072
_diffrn_reflns_theta_max         26.945
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8632
_reflns_number_gt                6757
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0614P)²+3.1000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8632
_refine_ls_number_parameters     535
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0672
_refine_ls_R_factor_gt           0.0485
_refine_ls_wR_factor_ref         0.1250
_refine_ls_wR_factor_gt          0.1168
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Ru Ru 0.08678(3) 0.34944(2) 0.16821(2) 0.03436(10) Uani 1 1 d . . . . .
N1 N 0.2154(3) 0.30592(13) 0.25261(15) 0.0429(7) Uani 1 1 d . . . . .
N2 N 0.1722(4) 0.23077(14) 0.17202(19) 0.0521(8) Uani 1 1 d . . . . .
H2N H 0.176(5) 0.1959(19) 0.161(2) 0.063 Uiso 1 1 d . U . . .
N3 N 0.0716(3) 0.26531(12) 0.12676(16) 0.0390(6) Uani 1 1 d . . . . .
N4 N -0.0801(3) 0.34625(12) 0.22254(15) 0.0396(6) Uani 1 1 d . . . . .
N5 N 0.1115(3) 0.42668(12) 0.22201(15) 0.0403(6) Uani 1 1 d . . . . .
N6 N -0.0233(3) 0.39475(11) 0.07824(14) 0.0355(6) Uani 1 1 d . . . . .
N7 N 0.2439(3) 0.35977(12) 0.10728(16) 0.0391(6) Uani 1 1 d . . . . .
O1 O -0.2216(3) 0.28810(12) 0.04914(16) 0.0603(7) Uani 1 1 d . . . . .
C1 C 0.2779(4) 0.3271(2) 0.3192(2) 0.0578(10) Uani 1 1 d . . . . .
H1 H 0.2584 0.3647 0.3307 0.069 Uiso 1 1 calc R U . . .
C2 C 0.3683(5) 0.2949(2) 0.3699(2) 0.0687(13) Uani 1 1 d . . . . .
H2 H 0.4088 0.3102 0.4154 0.082 Uiso 1 1 calc R U . . .
C3 C 0.3981(5) 0.2399(2) 0.3525(3) 0.0709(13) Uani 1 1 d . . . . .
H3 H 0.4610 0.2179 0.3863 0.085 Uiso 1 1 calc R U . . .
C4 C 0.3375(4) 0.2170(2) 0.2869(3) 0.0651(12) Uani 1 1 d . . . . .
H4 H 0.3585 0.1796 0.2749 0.078 Uiso 1 1 calc R U . . .
C5 C 0.2423(4) 0.25134(17) 0.2377(2) 0.0474(9) Uani 1 1 d . . . . .
C6 C 0.0028(4) 0.24278(15) 0.0666(2) 0.0416(8) Uani 1 1 d . . . . .
C7 C -0.1208(3) 0.27621(14) 0.0221(2) 0.0423(8) Uani 1 1 d . . . . .
C8 C -0.1144(4) 0.29304(15) -0.0536(2) 0.0437(8) Uani 1 1 d . . . . .
C9 C 0.0099(4) 0.28877(17) -0.0798(2) 0.0522(9) Uani 1 1 d . . . . .
H9 H 0.0915 0.2723 -0.0510 0.063 Uiso 1 1 calc R U . . .
C10 C 0.0136(5) 0.3090(2) -0.1490(2) 0.0647(11) Uani 1 1 d . . . . .
H10 H 0.0980 0.3061 -0.1663 0.078 Uiso 1 1 calc R U . . .
C11 C -0.1049(6) 0.3328(2) -0.1915(3) 0.0721(13) Uani 1 1 d . . . . .
H11 H -0.1011 0.3460 -0.2379 0.087 Uiso 1 1 calc R U . . .
C12 C -0.2301(5) 0.3375(2) -0.1668(3) 0.0698(13) Uani 1 1 d . . . . .
H12 H -0.3112 0.3538 -0.1962 0.084 Uiso 1 1 calc R U . . .
C13 C -0.2345(4) 0.31787(17) -0.0977(2) 0.0557(10) Uani 1 1 d . . . . .
H13 H -0.3189 0.3213 -0.0806 0.067 Uiso 1 1 calc R U . . .
C14 C 0.0276(4) 0.18461(16) 0.0389(2) 0.0503(9) Uani 1 1 d . . . . .
C15 C -0.0887(5) 0.14722(18) 0.0199(3) 0.0671(12) Uani 1 1 d . . . . .
H15 H -0.1798 0.1581 0.0255 0.080 Uiso 1 1 calc R U . . .
C16 C -0.0660(7) 0.0935(2) -0.0075(3) 0.0876(16) Uani 1 1 d . . . . .
H16 H -0.1420 0.0677 -0.0190 0.105 Uiso 1 1 calc R U . . .
C17 C 0.0668(7) 0.0779(2) -0.0177(3) 0.0901(17) Uani 1 1 d . . . . .
H17 H 0.0804 0.0418 -0.0365 0.108 Uiso 1 1 calc R U . . .
C18 C 0.1787(6) 0.1149(2) -0.0003(3) 0.0783(14) Uani 1 1 d . . . . .
H18 H 0.2686 0.1040 -0.0075 0.094 Uiso 1 1 calc R U . . .
C19 C 0.1614(5) 0.16818(18) 0.0276(2) 0.0601(11) Uani 1 1 d . . . . .
H19 H 0.2389 0.1933 0.0389 0.072 Uiso 1 1 calc R U . . .
C20 C -0.1712(4) 0.30243(17) 0.2217(2) 0.0479(9) Uani 1 1 d . . . . .
H20 H -0.1597 0.2696 0.1953 0.057 Uiso 1 1 calc R U . . .
C21 C -0.2819(4) 0.3046(2) 0.2590(2) 0.0604(11) Uani 1 1 d . . . . .
H21 H -0.3438 0.2735 0.2575 0.072 Uiso 1 1 calc R U . . .
C22 C -0.2997(5) 0.3522(2) 0.2976(3) 0.0740(14) Uani 1 1 d . . . . .
H22 H -0.3729 0.3540 0.3235 0.089 Uiso 1 1 calc R U . . .
C23 C -0.2076(5) 0.3980(2) 0.2981(3) 0.0684(12) Uani 1 1 d . . . . .
H23 H -0.2204 0.4315 0.3230 0.082 Uiso 1 1 calc R U . . .
C24 C -0.0968(4) 0.39412(16) 0.2615(2) 0.0459(8) Uani 1 1 d . . . . .
C25 C 0.0113(4) 0.43887(16) 0.26174(19) 0.0454(8) Uani 1 1 d . . . . .
C26 C 0.0170(5) 0.49026(18) 0.3002(2) 0.0623(11) Uani 1 1 d . . . . .
H26 H -0.0540 0.4992 0.3257 0.075 Uiso 1 1 calc R U . . .
C27 C 0.1281(5) 0.52763(19) 0.3001(3) 0.0706(13) Uani 1 1 d . . . . .
H27 H 0.1332 0.5619 0.3260 0.085 Uiso 1 1 calc R U . . .
C28 C 0.2314(5) 0.51451(19) 0.2621(3) 0.0651(11) Uani 1 1 d . . . . .
H28 H 0.3081 0.5393 0.2623 0.078 Uiso 1 1 calc R U . . .
C29 C 0.2198(4) 0.46393(17) 0.2232(2) 0.0517(9) Uani 1 1 d . . . . .
H29 H 0.2896 0.4552 0.1969 0.062 Uiso 1 1 calc R U . . .
C30 C -0.1581(3) 0.41504(14) 0.06902(19) 0.0422(8) Uani 1 1 d . . . . .
H30 H -0.2085 0.4091 0.1058 0.051 Uiso 1 1 calc R U . . .
C31 C -0.2239(4) 0.44409(15) 0.0077(2) 0.0512(9) Uani 1 1 d . . . . .
H31 H -0.3172 0.4576 0.0034 0.061 Uiso 1 1 calc R U . . .
C32 C -0.1518(4) 0.45306(16) -0.0470(2) 0.0520(9) Uani 1 1 d . . . . .
H32 H -0.1967 0.4713 -0.0898 0.062 Uiso 1 1 calc R U . . .
C33 C -0.0118(4) 0.43474(15) -0.03807(19) 0.0482(9) Uani 1 1 d . . . . .
H33 H 0.0401 0.4415 -0.0741 0.058 Uiso 1 1 calc R U . . .
C34 C 0.0509(3) 0.40590(14) 0.02578(18) 0.0379(7) Uani 1 1 d . . . . .
C35 C 0.2007(3) 0.38560(14) 0.04206(18) 0.0378(7) Uani 1 1 d . . . . .
C36 C 0.2925(4) 0.39178(17) -0.0059(2) 0.0529(9) Uani 1 1 d . . . . .
H36 H 0.2620 0.4103 -0.0504 0.063 Uiso 1 1 calc R U . . .
C37 C 0.4297(4) 0.3700(2) 0.0134(3) 0.0618(11) Uani 1 1 d . . . . .
H37 H 0.4931 0.3737 -0.0179 0.074 Uiso 1 1 calc R U . . .
C38 C 0.4717(4) 0.34300(19) 0.0785(3) 0.0655(12) Uani 1 1 d . . . . .
H38 H 0.5634 0.3274 0.0916 0.079 Uiso 1 1 calc R U . . .
C39 C 0.3779(4) 0.33882(17) 0.1250(2) 0.0536(10) Uani 1 1 d . . . . .
H39 H 0.4083 0.3210 0.1700 0.064 Uiso 1 1 calc R U . . .
Cl1 Cl 0.43441(13) 0.66040(5) 0.38330(6) 0.0680(3) Uani 1 1 d . . . . .
O2 O 0.4858(8) 0.6103(3) 0.3632(4) 0.208(3) Uani 1 1 d . . . . .
O3 O 0.2852(4) 0.6644(2) 0.3541(2) 0.1200(16) Uani 1 1 d . . . . .
O4 O 0.5013(6) 0.7038(3) 0.3539(4) 0.172(2) Uani 1 1 d . . . . .
O5 O 0.4629(5) 0.6664(3) 0.4574(2) 0.165(3) Uani 1 1 d . . . . .
Cl2 Cl 0.58753(11) 0.52626(5) 0.16558(6) 0.0626(3) Uani 1 1 d . . . . .
O6 O 0.5671(6) 0.5061(3) 0.2315(3) 0.185(3) Uani 1 1 d . . . . .
O7 O 0.5296(7) 0.4946(3) 0.1060(4) 0.204(3) Uani 1 1 d . . . . .
O8 O 0.5187(7) 0.5796(3) 0.1511(4) 0.167(2) Uani 1 1 d . . . . .
O9 O 0.7330(4) 0.5340(3) 0.1703(3) 0.1354(19) Uani 1 1 d . . . . .
O1W O 0.8033(5) 0.60597(18) 0.3178(3) 0.1230(16) Uani 1 1 d . . . . .
H12W H 0.7168 0.6075 0.3296 0.185 Uiso 1 1 d . U . . .
H11W H 0.7885 0.5871 0.2765 0.185 Uiso 1 1 d . U . . .


_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
Ru N5 2.051(3) . ?
Ru N1 2.054(3) . ?
Ru N4 2.061(3) . ?
Ru N7 2.077(3) . ?
Ru N6 2.077(3) . ?
Ru N3 2.101(3) . ?
N1 C5 1.337(5) . ?
N1 C1 1.358(5) . ?
N2 C5 1.359(5) . ?
N2 N3 1.394(4) . ?
N2 H2N 0.84(4) . ?
N3 C6 1.292(4) . ?
N4 C20 1.337(4) . ?
N4 C24 1.360(5) . ?
N5 C29 1.344(4) . ?
N5 C25 1.357(4) . ?
N6 C30 1.345(4) . ?
N6 C34 1.351(4) . ?
N7 C39 1.342(4) . ?
N7 C35 1.347(4) . ?
O1 C7 1.208(4) . ?
C1 C2 1.365(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.366(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.355(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.401(5) . ?
C4 H4 0.9300 . ?
C6 C14 1.487(5) . ?
C6 C7 1.508(5) . ?
C7 C8 1.484(5) . ?
C8 C9 1.377(5) . ?
C8 C13 1.389(5) . ?
C9 C10 1.387(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.356(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.371(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.382(6) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C19 1.388(5) . ?
C14 C15 1.396(6) . ?
C15 C16 1.387(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.367(8) . ?
C16 H16 0.9300 . ?
C17 C18 1.357(7) . ?
C17 H17 0.9300 . ?
C18 C19 1.369(6) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.382(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.354(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.381(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.376(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.464(5) . ?
C25 C26 1.392(5) . ?
C26 C27 1.370(6) . ?
C26 H26 0.9300 . ?
C27 C28 1.365(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.376(6) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 C31 1.367(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.365(6) . ?
C31 H31 0.9300 . ?
C32 C33 1.376(5) . ?
C32 H32 0.9300 . ?
C33 C34 1.393(5) . ?
C33 H33 0.9300 . ?
C34 C35 1.472(5) . ?
C35 C36 1.387(5) . ?
C36 C37 1.378(6) . ?
C36 H36 0.9300 . ?
C37 C38 1.356(6) . ?
C37 H37 0.9300 . ?
C38 C39 1.377(5) . ?
C38 H38 0.9300 . ?
C39 H39 0.9300 . ?
Cl1 O2 1.349(5) . ?
Cl1 O5 1.366(4) . ?
Cl1 O4 1.371(5) . ?
Cl1 O3 1.415(4) . ?
Cl2 O7 1.356(5) . ?
Cl2 O6 1.374(5) . ?
Cl2 O9 1.381(4) . ?
Cl2 O8 1.405(5) . ?
O1W H12W 0.8971 . ?
O1W H11W 0.8766 . ?

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 Ru N1 93.75(11) . . ?
N5 Ru N4 79.02(11) . . ?
N1 Ru N4 89.92(11) . . ?
N5 Ru N7 98.47(11) . . ?
N1 Ru N7 95.68(11) . . ?
N4 Ru N7 174.02(11) . . ?
N5 Ru N6 86.58(10) . . ?
N1 Ru N6 173.74(10) . . ?
N4 Ru N6 96.28(10) . . ?
N7 Ru N6 78.09(10) . . ?
N5 Ru N3 172.37(10) . . ?
N1 Ru N3 78.97(11) . . ?
N4 Ru N3 98.56(11) . . ?
N7 Ru N3 84.61(10) . . ?
N6 Ru N3 100.91(10) . . ?
C5 N1 C1 118.1(3) . . ?
C5 N1 Ru 114.7(2) . . ?
C1 N1 Ru 127.2(3) . . ?
C5 N2 N3 119.5(3) . . ?
C5 N2 H2N 122(3) . . ?
N3 N2 H2N 118(3) . . ?
C6 N3 N2 117.1(3) . . ?
C6 N3 Ru 133.2(2) . . ?
N2 N3 Ru 109.1(2) . . ?
C20 N4 C24 118.9(3) . . ?
C20 N4 Ru 126.0(2) . . ?
C24 N4 Ru 115.1(2) . . ?
C29 N5 C25 118.7(3) . . ?
C29 N5 Ru 125.6(3) . . ?
C25 N5 Ru 115.6(2) . . ?
C30 N6 C34 118.0(3) . . ?
C30 N6 Ru 126.0(2) . . ?
C34 N6 Ru 115.9(2) . . ?
C39 N7 C35 118.8(3) . . ?
C39 N7 Ru 125.4(3) . . ?
C35 N7 Ru 115.6(2) . . ?
N1 C1 C2 122.2(4) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C1 C2 C3 118.7(4) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 H2 120.7 . . ?
C4 C3 C2 121.1(4) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C3 C4 C5 117.8(4) . . ?
C3 C4 H4 121.1 . . ?
C5 C4 H4 121.1 . . ?
N1 C5 N2 116.4(3) . . ?
N1 C5 C4 122.1(4) . . ?
N2 C5 C4 121.5(4) . . ?
N3 C6 C14 125.9(3) . . ?
N3 C6 C7 117.9(3) . . ?
C14 C6 C7 116.1(3) . . ?
O1 C7 C8 122.4(3) . . ?
O1 C7 C6 118.8(3) . . ?
C8 C7 C6 118.8(3) . . ?
C9 C8 C13 118.6(4) . . ?
C9 C8 C7 122.1(3) . . ?
C13 C8 C7 119.1(3) . . ?
C8 C9 C10 120.1(4) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C11 C10 C9 120.5(4) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 120.6(4) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C11 C12 C13 119.3(4) . . ?
C11 C12 H12 120.4 . . ?
C13 C12 H12 120.4 . . ?
C12 C13 C8 120.9(4) . . ?
C12 C13 H13 119.6 . . ?
C8 C13 H13 119.6 . . ?
C19 C14 C15 119.6(4) . . ?
C19 C14 C6 121.5(4) . . ?
C15 C14 C6 118.8(4) . . ?
C16 C15 C14 118.7(5) . . ?
C16 C15 H15 120.7 . . ?
C14 C15 H15 120.7 . . ?
C17 C16 C15 120.8(5) . . ?
C17 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
C18 C17 C16 120.1(5) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C19 121.0(5) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C18 C19 C14 119.7(5) . . ?
C18 C19 H19 120.1 . . ?
C14 C19 H19 120.1 . . ?
N4 C20 C21 121.9(4) . . ?
N4 C20 H20 119.1 . . ?
C21 C20 H20 119.1 . . ?
C22 C21 C20 119.6(4) . . ?
C22 C21 H21 120.2 . . ?
C20 C21 H21 120.2 . . ?
C21 C22 C23 119.1(4) . . ?
C21 C22 H22 120.5 . . ?
C23 C22 H22 120.5 . . ?
C24 C23 C22 119.9(4) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
N4 C24 C23 120.7(4) . . ?
N4 C24 C25 115.0(3) . . ?
C23 C24 C25 124.3(4) . . ?
N5 C25 C26 120.5(4) . . ?
N5 C25 C24 115.1(3) . . ?
C26 C25 C24 124.4(4) . . ?
C27 C26 C25 119.5(4) . . ?
C27 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
C28 C27 C26 119.9(4) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C27 C28 C29 118.8(4) . . ?
C27 C28 H28 120.6 . . ?
C29 C28 H28 120.6 . . ?
N5 C29 C28 122.5(4) . . ?
N5 C29 H29 118.7 . . ?
C28 C29 H29 118.7 . . ?
N6 C30 C31 122.6(3) . . ?
N6 C30 H30 118.7 . . ?
C31 C30 H30 118.7 . . ?
C32 C31 C30 119.5(3) . . ?
C32 C31 H31 120.2 . . ?
C30 C31 H31 120.2 . . ?
C31 C32 C33 119.2(3) . . ?
C31 C32 H32 120.4 . . ?
C33 C32 H32 120.4 . . ?
C32 C33 C34 118.9(4) . . ?
C32 C33 H33 120.5 . . ?
C34 C33 H33 120.5 . . ?
N6 C34 C33 121.5(3) . . ?
N6 C34 C35 114.8(3) . . ?
C33 C34 C35 123.7(3) . . ?
N7 C35 C36 121.4(3) . . ?
N7 C35 C34 115.5(3) . . ?
C36 C35 C34 123.2(3) . . ?
C37 C36 C35 118.9(4) . . ?
C37 C36 H36 120.5 . . ?
C35 C36 H36 120.5 . . ?
C38 C37 C36 119.5(4) . . ?
C38 C37 H37 120.3 . . ?
C36 C37 H37 120.3 . . ?
C37 C38 C39 119.7(4) . . ?
C37 C38 H38 120.2 . . ?
C39 C38 H38 120.2 . . ?
N7 C39 C38 121.8(4) . . ?
N7 C39 H39 119.1 . . ?
C38 C39 H39 119.1 . . ?
O2 Cl1 O5 111.5(5) . . ?
O2 Cl1 O4 107.4(5) . . ?
O5 Cl1 O4 108.8(4) . . ?
O2 Cl1 O3 110.0(4) . . ?
O5 Cl1 O3 110.9(3) . . ?
O4 Cl1 O3 108.1(4) . . ?
O7 Cl2 O6 116.5(5) . . ?
O7 Cl2 O9 110.7(4) . . ?
O6 Cl2 O9 108.4(3) . . ?
O7 Cl2 O8 103.2(4) . . ?
O6 Cl2 O8 109.1(4) . . ?
O9 Cl2 O8 108.6(4) . . ?
H12W O1W H11W 104.6 . . ?

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
C5 N2 N3 C6 -176.6(3) . . . . ?
C5 N2 N3 Ru 10.8(4) . . . . ?
C5 N1 C1 C2 1.3(6) . . . . ?
Ru N1 C1 C2 -176.2(3) . . . . ?
N1 C1 C2 C3 0.9(6) . . . . ?
C1 C2 C3 C4 -1.2(7) . . . . ?
C2 C3 C4 C5 -0.6(7) . . . . ?
C1 N1 C5 N2 176.7(3) . . . . ?
Ru N1 C5 N2 -5.4(4) . . . . ?
C1 N1 C5 C4 -3.3(5) . . . . ?
Ru N1 C5 C4 174.6(3) . . . . ?
N3 N2 C5 N1 -4.0(5) . . . . ?
N3 N2 C5 C4 176.0(3) . . . . ?
C3 C4 C5 N1 2.9(6) . . . . ?
C3 C4 C5 N2 -177.1(4) . . . . ?
N2 N3 C6 C14 -4.2(5) . . . . ?
Ru N3 C6 C14 166.1(3) . . . . ?
N2 N3 C6 C7 171.5(3) . . . . ?
Ru N3 C6 C7 -18.2(5) . . . . ?
N3 C6 C7 O1 -60.3(4) . . . . ?
C14 C6 C7 O1 115.7(4) . . . . ?
N3 C6 C7 C8 120.0(3) . . . . ?
C14 C6 C7 C8 -63.9(4) . . . . ?
O1 C7 C8 C9 168.0(4) . . . . ?
C6 C7 C8 C9 -12.3(5) . . . . ?
O1 C7 C8 C13 -7.1(5) . . . . ?
C6 C7 C8 C13 172.6(3) . . . . ?
C13 C8 C9 C10 -0.1(6) . . . . ?
C7 C8 C9 C10 -175.2(4) . . . . ?
C8 C9 C10 C11 -0.3(7) . . . . ?
C9 C10 C11 C12 0.3(7) . . . . ?
C10 C11 C12 C13 0.2(7) . . . . ?
C11 C12 C13 C8 -0.6(6) . . . . ?
C9 C8 C13 C12 0.5(6) . . . . ?
C7 C8 C13 C12 175.8(4) . . . . ?
N3 C6 C14 C19 -57.2(5) . . . . ?
C7 C6 C14 C19 127.1(4) . . . . ?
N3 C6 C14 C15 126.7(4) . . . . ?
C7 C6 C14 C15 -49.0(5) . . . . ?
C19 C14 C15 C16 2.3(7) . . . . ?
C6 C14 C15 C16 178.5(4) . . . . ?
C14 C15 C16 C17 -1.8(8) . . . . ?
C15 C16 C17 C18 0.6(9) . . . . ?
C16 C17 C18 C19 0.1(8) . . . . ?
C17 C18 C19 C14 0.5(7) . . . . ?
C15 C14 C19 C18 -1.7(6) . . . . ?
C6 C14 C19 C18 -177.8(4) . . . . ?
C24 N4 C20 C21 0.4(5) . . . . ?
Ru N4 C20 C21 -178.8(3) . . . . ?
N4 C20 C21 C22 0.0(6) . . . . ?
C20 C21 C22 C23 0.9(7) . . . . ?
C21 C22 C23 C24 -2.1(7) . . . . ?
C20 N4 C24 C23 -1.6(5) . . . . ?
Ru N4 C24 C23 177.7(3) . . . . ?
C20 N4 C24 C25 177.6(3) . . . . ?
Ru N4 C24 C25 -3.1(4) . . . . ?
C22 C23 C24 N4 2.5(6) . . . . ?
C22 C23 C24 C25 -176.6(4) . . . . ?
C29 N5 C25 C26 3.0(5) . . . . ?
Ru N5 C25 C26 -179.6(3) . . . . ?
C29 N5 C25 C24 -175.7(3) . . . . ?
Ru N5 C25 C24 1.6(4) . . . . ?
N4 C24 C25 N5 1.0(4) . . . . ?
C23 C24 C25 N5 -179.8(4) . . . . ?
N4 C24 C25 C26 -177.7(4) . . . . ?
C23 C24 C25 C26 1.5(6) . . . . ?
N5 C25 C26 C27 -2.7(6) . . . . ?
C24 C25 C26 C27 176.0(4) . . . . ?
C25 C26 C27 C28 0.6(7) . . . . ?
C26 C27 C28 C29 1.1(7) . . . . ?
C25 N5 C29 C28 -1.4(5) . . . . ?
Ru N5 C29 C28 -178.4(3) . . . . ?
C27 C28 C29 N5 -0.7(6) . . . . ?
C34 N6 C30 C31 2.8(5) . . . . ?
Ru N6 C30 C31 -179.3(3) . . . . ?
N6 C30 C31 C32 0.3(5) . . . . ?
C30 C31 C32 C33 -2.7(5) . . . . ?
C31 C32 C33 C34 2.0(5) . . . . ?
C30 N6 C34 C33 -3.5(5) . . . . ?
Ru N6 C34 C33 178.4(2) . . . . ?
C30 N6 C34 C35 176.1(3) . . . . ?
Ru N6 C34 C35 -1.9(3) . . . . ?
C32 C33 C34 N6 1.1(5) . . . . ?
C32 C33 C34 C35 -178.5(3) . . . . ?
C39 N7 C35 C36 -1.2(5) . . . . ?
Ru N7 C35 C36 -175.8(3) . . . . ?
C39 N7 C35 C34 178.3(3) . . . . ?
Ru N7 C35 C34 3.7(4) . . . . ?
N6 C34 C35 N7 -1.2(4) . . . . ?
C33 C34 C35 N7 178.5(3) . . . . ?
N6 C34 C35 C36 178.3(3) . . . . ?
C33 C34 C35 C36 -2.0(5) . . . . ?
N7 C35 C36 C37 1.2(5) . . . . ?
C34 C35 C36 C37 -178.2(3) . . . . ?
C35 C36 C37 C38 0.1(6) . . . . ?
C36 C37 C38 C39 -1.4(7) . . . . ?
C35 N7 C39 C38 -0.1(6) . . . . ?
Ru N7 C39 C38 173.9(3) . . . . ?
C37 C38 C39 N7 1.4(7) . . . . ?

_refine_diff_density_max         0.589
_refine_diff_density_min         -0.451
_refine_diff_density_rms         0.070

