# 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 2019

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1920293'
loop_
_audit_author_name
_audit_author_address
'Kishalay Bhar'
;Central University of Rajasthan
India
;
_audit_update_record             
;
2019-06-03 deposited with the CCDC.	2019-11-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/4
_shelx_SHELXL_version_number     2016/4
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C115 H138 Cl18 N12 Ru4'
_chemical_formula_weight         2730.75

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'
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                   11.511(5)
_cell_length_b                   12.353(5)
_cell_length_c                   22.155(5)
_cell_angle_alpha                78.665(5)
_cell_angle_beta                 75.648(5)
_cell_angle_gamma                68.751(5)
_cell_volume                     2824.6(18)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9308
_cell_measurement_theta_min      3.76
_cell_measurement_theta_max      28.42

_exptl_crystal_description       needle
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_F_000             1394
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.130
_exptl_absorpt_coefficient_mu    1.006
_shelx_estimated_absorpt_T_min   0.787
_shelx_estimated_absorpt_T_max   0.880
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            30633
_diffrn_reflns_av_unetI/netI     0.0390
_diffrn_reflns_av_R_equivalents  0.0389
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         0.955
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_full        24.998
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.986
_reflns_number_total             9825
_reflns_number_gt                8664
_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-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_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)+(0.1418P)²+10.4444P] 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         9825
_refine_ls_number_parameters     673
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0778
_refine_ls_R_factor_gt           0.0604
_refine_ls_wR_factor_ref         0.2239
_refine_ls_wR_factor_gt          0.1814
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_restrained_S_all      1.144
_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
C1 C 0.4225(7) 0.1556(7) 0.8393(4) 0.0399(18) Uani 1 1 d . . . . .
C2 C 0.5391(7) 0.1361(6) 0.7952(3) 0.0281(14) Uani 1 1 d . . . . .
H2 H 0.596375 0.060608 0.792719 0.034 Uiso 1 1 calc R U . . .
C3 C 0.5682(8) 0.2300(6) 0.7556(3) 0.0371(17) Uani 1 1 d . . . . .
H3 H 0.643651 0.215756 0.726115 0.045 Uiso 1 1 calc R U . . .
C4 C 0.4833(13) 0.3474(7) 0.7597(5) 0.068(4) Uani 1 1 d . . . . .
C5 C 0.3677(10) 0.3619(9) 0.8069(5) 0.069(4) Uani 1 1 d . . . . .
H5 H 0.310583 0.436940 0.811530 0.083 Uiso 1 1 calc R U . . .
C6 C 0.3396(8) 0.2697(8) 0.8446(5) 0.052(2) Uani 1 1 d . . . . .
H6 H 0.264358 0.283121 0.874161 0.063 Uiso 1 1 calc R U . . .
C7 C 0.3935(10) 0.0529(10) 0.8827(5) 0.063(3) Uani 1 1 d . . . . .
H7A H 0.460431 -0.018378 0.872379 0.094 Uiso 1 1 calc R U . . .
H7B H 0.387343 0.062908 0.925406 0.094 Uiso 1 1 calc R U . . .
H7C H 0.314517 0.049437 0.877690 0.094 Uiso 1 1 calc R U . . .
C8 C 0.560(3) 0.4427(17) 0.7090(10) 0.039(4) Uiso 0.42 1 d . . P A 1
C8A C 0.4857(15) 0.4566(12) 0.7230(6) 0.038(3) Uiso 0.58 1 d . . P A 2
C9 C 0.469(3) 0.497(2) 0.6605(12) 0.055(5) Uiso 0.4 1 d . . P A 1
C9A C 0.3989(17) 0.4934(14) 0.6736(8) 0.055(4) Uiso 0.6 1 d . . P A 2
C10 C 0.701(2) 0.395(2) 0.6801(10) 0.051(5) Uiso 0.43 1 d . . P A 1
C10A C 0.624(2) 0.4398(15) 0.6944(8) 0.051(4) Uiso 0.57 1 d . . P A 2
C11 C 0.6260(6) 0.4420(5) 0.8815(3) 0.0207(12) Uani 1 1 d . . . . .
C12 C 0.6356(6) 0.5421(5) 0.8991(3) 0.0200(12) Uani 1 1 d . . . . .
H12 H 0.713130 0.554959 0.890663 0.024 Uiso 1 1 calc R U . . .
C13 C 0.5277(6) 0.6193(5) 0.9290(3) 0.0220(12) Uani 1 1 d . . . . .
H13 H 0.530384 0.687782 0.939217 0.026 Uiso 1 1 calc R U . . .
C14 C 0.4114(6) 0.5950(5) 0.9445(3) 0.0198(12) Uani 1 1 d . . . . .
C15 C 0.3002(6) 0.6678(5) 0.9789(3) 0.0219(12) Uani 1 1 d . . . . .
H15 H 0.299847 0.737244 0.989315 0.026 Uiso 1 1 calc R U . . .
C16 C 0.1931(6) 0.6374(5) 0.9971(3) 0.0231(13) Uani 1 1 d . . . . .
H16 H 0.120268 0.686089 1.019999 0.028 Uiso 1 1 calc R U . . .
C17 C 0.1918(6) 0.5324(5) 0.9814(3) 0.0245(13) Uani 1 1 d . . . . .
H17 H 0.118705 0.511606 0.994914 0.029 Uiso 1 1 calc R U . . .
C18 C 0.2975(6) 0.4607(5) 0.9464(3) 0.0233(12) Uani 1 1 d . . . . .
H18 H 0.295218 0.392212 0.936009 0.028 Uiso 1 1 calc R U . . .
C19 C 0.4092(6) 0.4902(5) 0.9263(3) 0.0200(12) Uani 1 1 d . . . . .
C20 C 0.7347(6) 0.3524(5) 0.8537(3) 0.0207(12) Uani 1 1 d . . . . .
C21 C 0.8362(6) 0.1870(6) 0.8155(3) 0.0261(13) Uani 1 1 d . . . . .
C22 C 0.9257(6) 0.2389(5) 0.8174(3) 0.0268(13) Uani 1 1 d . . . . .
C23 C 1.0565(7) 0.1848(6) 0.7992(4) 0.0374(16) Uani 1 1 d . . . . .
H23 H 1.115048 0.219418 0.800811 0.045 Uiso 1 1 calc R U . . .
C24 C 1.0938(7) 0.0756(7) 0.7783(4) 0.0445(19) Uani 1 1 d . . . . .
H24 H 1.180000 0.035482 0.766470 0.053 Uiso 1 1 calc R U . . .
C25 C 1.0065(8) 0.0244(7) 0.7747(4) 0.0428(19) Uani 1 1 d . . . . .
H25 H 1.035822 -0.047710 0.759484 0.051 Uiso 1 1 calc R U . . .
C26 C 0.8758(7) 0.0787(6) 0.7933(3) 0.0314(15) Uani 1 1 d . . . . .
H26 H 0.817777 0.044103 0.791051 0.038 Uiso 1 1 calc R U . . .
C27 C 0.7357(8) 0.6951(8) 0.7208(4) 0.045(2) Uani 1 1 d . . . . .
C28 C 0.8429(8) 0.6309(7) 0.7490(4) 0.043(2) Uani 1 1 d . . . . .
H28 H 0.839086 0.635883 0.790834 0.052 Uiso 1 1 calc R U . . .
C29 C 0.9557(10) 0.5592(7) 0.7138(4) 0.053(2) Uani 1 1 d . . . . .
H29 H 1.024178 0.517495 0.733508 0.064 Uiso 1 1 calc R U . . .
C30 C 0.9679(13) 0.5489(8) 0.6502(5) 0.069(3) Uani 1 1 d . . . . .
C31 C 0.8569(14) 0.6157(9) 0.6231(5) 0.070(4) Uani 1 1 d . . . . .
H31 H 0.860994 0.611978 0.581075 0.084 Uiso 1 1 calc R U . . .
C32 C 0.7440(10) 0.6855(8) 0.6569(4) 0.050(2) Uani 1 1 d . . . . .
H32 H 0.674529 0.725389 0.637604 0.060 Uiso 1 1 calc R U . . .
C33 C 0.6187(8) 0.7746(10) 0.7563(4) 0.066(3) Uani 1 1 d . . . . .
H33A H 0.556729 0.810347 0.729992 0.098 Uiso 1 1 calc R U . . .
H33B H 0.584915 0.730584 0.792659 0.098 Uiso 1 1 calc R U . . .
H33C H 0.639154 0.834278 0.769250 0.098 Uiso 1 1 calc R U . . .
C34 C 1.1114(16) 0.4681(14) 0.6144(8) 0.062(4) Uiso 0.66 1 d . . P B 1
C34A C 1.038(3) 0.478(3) 0.6070(15) 0.063(7) Uiso 0.34 1 d . . P B 2
C35B C 1.099(3) 0.349(2) 0.6208(13) 0.103(7) Uiso 0.6 1 d . . P B 1
C35A C 1.002(4) 0.376(3) 0.5993(18) 0.099(11) Uiso 0.4 1 d . . P B 2
C36 C 1.094(4) 0.499(3) 0.5300(15) 0.28(2) Uani 1 1 d . . . . .
C37 C 1.1092(6) 0.8061(5) 0.5685(3) 0.0223(12) Uani 1 1 d . . . . .
C38 C 1.1854(6) 0.8367(6) 0.5126(3) 0.0263(13) Uani 1 1 d . . . . .
H38 H 1.266770 0.835625 0.512210 0.032 Uiso 1 1 calc R U . . .
C39 C 1.1386(6) 0.8678(6) 0.4594(3) 0.0265(13) Uani 1 1 d . . . . .
H39 H 1.188974 0.884805 0.421401 0.032 Uiso 1 1 calc R U . . .
C40 C 1.0120(6) 0.8743(5) 0.4616(3) 0.0240(13) Uani 1 1 d . . . . .
C41 C 0.9560(7) 0.9132(6) 0.4075(3) 0.0277(14) Uani 1 1 d . . . . .
H41 H 1.004091 0.930783 0.368829 0.033 Uiso 1 1 calc R U . . .
C42 C 0.8324(7) 0.9247(6) 0.4121(3) 0.0306(14) Uani 1 1 d . . . . .
H42 H 0.796650 0.949603 0.376334 0.037 Uiso 1 1 calc R U . . .
C43 C 0.7576(7) 0.8997(6) 0.4701(3) 0.0296(14) Uani 1 1 d . . . . .
H43 H 0.672331 0.910626 0.472616 0.036 Uiso 1 1 calc R U . . .
C44 C 0.8095(6) 0.8592(6) 0.5228(3) 0.0263(13) Uani 1 1 d . . . . .
H44 H 0.759781 0.841522 0.560846 0.032 Uiso 1 1 calc R U . . .
C45 C 0.9379(6) 0.8444(5) 0.5196(3) 0.0203(12) Uani 1 1 d . . . . .
C46 C 1.1481(6) 0.7791(5) 0.6280(3) 0.0224(12) Uani 1 1 d . . . . .
C47 C 1.2390(6) 0.7648(6) 0.7057(3) 0.0271(13) Uani 1 1 d . . . . .
C48 C 1.3169(7) 0.7692(7) 0.7443(3) 0.0365(16) Uani 1 1 d . . . . .
H48 H 1.390992 0.787775 0.728266 0.044 Uiso 1 1 calc R U . . .
C49 C 1.2755(7) 0.7439(7) 0.8077(3) 0.0382(17) Uani 1 1 d . . . . .
H49 H 1.322321 0.746759 0.835731 0.046 Uiso 1 1 calc R U . . .
C50 C 1.1657(8) 0.7143(6) 0.8311(3) 0.0372(17) Uani 1 1 d . . . . .
H50 H 1.142756 0.696530 0.874235 0.045 Uiso 1 1 calc R U . . .
C51 C 1.0898(7) 0.7102(5) 0.7932(3) 0.0290(14) Uani 1 1 d . . . . .
H51 H 1.016550 0.690297 0.809411 0.035 Uiso 1 1 calc R U . . .
C52 C 1.1290(6) 0.7378(5) 0.7284(3) 0.0225(12) Uani 1 1 d . . . . .
C53 C 1.5200(7) 1.0694(7) 0.6225(4) 0.0440(19) Uani 1 1 d . . . . .
H53A H 1.599674 1.016754 0.633534 0.053 Uiso 1 1 calc R U . . .
H53B H 1.505891 1.041799 0.587740 0.053 Uiso 1 1 calc R U . . .
C54 C 0.7448(8) 0.8633(8) 0.9497(4) 0.052(2) Uani 1 1 d . . . . .
H54A H 0.663713 0.869494 0.977656 0.063 Uiso 1 1 calc R U . . .
H54B H 0.755410 0.939452 0.942603 0.063 Uiso 1 1 calc R U . . .
C55 C 1.0579(16) -0.0198(14) 0.9559(9) 0.049(4) Uani 0.5 1 d . . P . .
H55A H 1.105001 0.027567 0.927902 0.059 Uiso 0.5 1 calc R U P C 1
H55B H 1.078211 -0.090919 0.937401 0.059 Uiso 0.5 1 calc R U P C 1
C56 C 0.7929(11) 0.4496(7) 0.5338(4) 0.056(2) Uani 1 1 d . . . . .
C57 C 0.6786(12) 0.4400(11) 0.5162(6) 0.062(3) Uiso 0.8 1 d . . P D 1
C57A C 0.658(5) 0.560(5) 0.519(3) 0.064(13) Uiso 0.2 1 d . . P D 2
C58 C 0.5757(8) 0.4571(9) 0.4936(3) 0.048(2) Uani 1 1 d . . . . .
N1 N 0.5168(5) 0.4187(4) 0.8921(2) 0.0191(10) Uani 1 1 d . . . . .
N2 N 0.7168(5) 0.2608(4) 0.8386(2) 0.0225(11) Uani 1 1 d . . . . .
N3 N 0.8576(5) 0.3438(5) 0.8410(2) 0.0237(11) Uani 1 1 d . . . . .
N4 N 0.9918(5) 0.8054(4) 0.5725(2) 0.0204(10) Uani 1 1 d . . . . .
N5 N 1.0729(5) 0.7480(4) 0.6786(2) 0.0216(10) Uani 1 1 d . . . . .
N6 N 1.2508(5) 0.7891(5) 0.6417(2) 0.0264(11) Uani 1 1 d . . . . .
CL1 Cl 0.55410(14) 0.16350(12) 0.95310(7) 0.0248(3) Uani 1 1 d . . . . .
CL2 Cl 0.80787(13) 0.93347(13) 0.68564(6) 0.0227(3) Uani 1 1 d . . . . .
CL3 Cl 1.01621(15) 0.46304(13) 0.86974(7) 0.0282(3) Uani 1 1 d . . . . .
CL4 Cl 1.49346(16) 0.82807(16) 0.57083(9) 0.0385(4) Uani 1 1 d . . . . .
CL5 Cl 0.7418(3) 0.8264(2) 0.87908(14) 0.0689(7) Uani 1 1 d . . . . .
CL6 Cl 0.8662(2) 0.76225(19) 0.98610(13) 0.0572(6) Uani 1 1 d . . . . .
CL7 Cl 1.3941(2) 1.0695(2) 0.68776(11) 0.0556(6) Uani 1 1 d . . . . .
CL8 Cl 1.5285(2) 1.2110(2) 0.59990(10) 0.0520(5) Uani 1 1 d . . . . .
CL9 Cl 0.8864(5) 0.0610(3) 0.9624(2) 0.0554(9) Uiso 0.6 1 d . . P E 1
CL9A Cl 0.9452(7) 0.0620(5) 0.9537(3) 0.0543(13) Uiso 0.4 1 d . . P E 2
RU1 Ru 0.52995(5) 0.26747(4) 0.85145(2) 0.02312(18) Uani 1 1 d . . . . .
RU2 Ru 0.90798(5) 0.73464(4) 0.66347(2) 0.02299(18) Uani 1 1 d . . . . .
H3S H 0.895(8) 0.384(8) 0.843(4) 0.04(2) Uiso 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
C1 C6 1.395(12) . ?
C1 C2 1.422(10) . ?
C1 C7 1.521(13) . ?
C1 RU1 2.250(7) . ?
C2 C3 1.401(10) . ?
C2 RU1 2.191(6) . ?
C3 C4 1.431(12) . ?
C3 RU1 2.167(7) . ?
C4 C8A 1.438(16) . ?
C4 C5 1.451(17) . ?
C4 C8 1.78(3) . ?
C4 RU1 2.182(8) . ?
C5 C6 1.363(16) . ?
C5 RU1 2.169(8) . ?
C6 RU1 2.223(8) . ?
C8a C10 1.53(3) . ?
C8a C9 1.57(3) . ?
C8Ab C10A 1.51(2) . ?
C8Ab C9A 1.56(2) . ?
C11 N1 1.344(8) . ?
C11 C12 1.416(8) . ?
C11 C20 1.432(9) . ?
C12 C13 1.369(9) . ?
C13 C14 1.422(9) . ?
C14 C15 1.406(9) . ?
C14 C19 1.440(8) . ?
C15 C16 1.361(9) . ?
C16 C17 1.414(9) . ?
C17 C18 1.374(9) . ?
C18 C19 1.406(9) . ?
C19 N1 1.376(8) . ?
C20 N2 1.338(8) . ?
C20 N3 1.340(9) . ?
C21 N2 1.382(8) . ?
C21 C26 1.393(9) . ?
C21 C22 1.410(10) . ?
C22 N3 1.377(8) . ?
C22 C23 1.397(10) . ?
C23 C24 1.395(11) . ?
C24 C25 1.391(12) . ?
C25 C26 1.397(11) . ?
C27 C28 1.422(11) . ?
C27 C32 1.422(12) . ?
C27 C33 1.489(15) . ?
C27 RU2 2.235(7) . ?
C28 C29 1.419(14) . ?
C28 RU2 2.198(7) . ?
C29 C30 1.407(14) . ?
C29 RU2 2.175(7) . ?
C30 C34A 1.33(3) . ?
C30 C31 1.448(17) . ?
C30 C34 1.68(2) . ?
C30 RU2 2.201(9) . ?
C31 C32 1.397(16) . ?
C31 RU2 2.170(8) . ?
C32 RU2 2.227(7) . ?
C34a C35B 1.51(3) . ?
C34a C36 1.88(3) . ?
C34Ab C35A 1.51(5) . ?
C34Ab C36 1.67(4) . ?
C36 C56 1.85(4) 2_766 ?
C37 N4 1.335(8) . ?
C37 C38 1.402(9) . ?
C37 C46 1.436(8) . ?
C38 C39 1.346(9) . ?
C39 C40 1.419(9) . ?
C40 C45 1.419(8) . ?
C40 C41 1.421(9) . ?
C41 C42 1.357(10) . ?
C42 C43 1.406(10) . ?
C43 C44 1.367(9) . ?
C44 C45 1.407(9) . ?
C45 N4 1.384(8) . ?
C46 N5 1.320(8) . ?
C46 N6 1.343(8) . ?
C47 N6 1.375(8) . ?
C47 C52 1.376(9) . ?
C47 C48 1.404(9) . ?
C48 C49 1.380(11) . ?
C49 C50 1.391(11) . ?
C50 C51 1.373(10) . ?
C51 C52 1.406(9) . ?
C52 N5 1.376(8) . ?
C53 CL8 1.753(9) . ?
C53 CL7 1.775(8) . ?
C54 CL5 1.724(10) . ?
C54 CL6 1.750(9) . ?
C55 CL9A 1.330(17) . ?
C55 CL9 1.844(17) . ?
C55 CL9A 1.963(18) 2_757 ?
C55 CL9 1.980(16) 2_757 ?
C56 C57 1.512(17) . ?
C56 C57A 1.71(5) . ?
C56 C36 1.85(4) 2_766 ?
C57a C58 1.331(15) . ?
C58 C58 1.666(18) 2_666 ?
N1 RU1 2.171(5) . ?
N2 RU1 2.072(5) . ?
N4 RU2 2.170(5) . ?
N5 RU2 2.075(5) . ?
CL1 RU1 2.3901(16) . ?
CL2 RU2 2.3966(18) . ?
CL9a C55 1.980(16) 2_757 ?
CL9Ab C55 1.963(18) 2_757 ?

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
C6 C1 C2 119.3(8) . . ?
C6 C1 C7 120.9(8) . . ?
C2 C1 C7 119.7(8) . . ?
C6 C1 RU1 70.8(4) . . ?
C2 C1 RU1 69.1(4) . . ?
C7 C1 RU1 129.5(6) . . ?
C3 C2 C1 120.4(7) . . ?
C3 C2 RU1 70.3(4) . . ?
C1 C2 RU1 73.6(4) . . ?
C2 C3 C4 120.9(9) . . ?
C2 C3 RU1 72.2(4) . . ?
C4 C3 RU1 71.4(4) . . ?
C3 C4 C8A 132.2(13) . . ?
C3 C4 C5 116.0(9) . . ?
C8Ab C4 C5 111.7(10) . . ?
C3 C4 C8 107.9(12) . . ?
C5 C4 C8 135.7(10) . . ?
C3 C4 RU1 70.2(4) . . ?
C8Ab C4 RU1 132.4(7) . . ?
C5 C4 RU1 70.1(5) . . ?
C8a C4 RU1 122.3(9) . . ?
C6 C5 C4 122.6(8) . . ?
C6 C5 RU1 74.1(5) . . ?
C4 C5 RU1 71.0(5) . . ?
C5 C6 C1 120.8(9) . . ?
C5 C6 RU1 69.8(5) . . ?
C1 C6 RU1 72.9(4) . . ?
C10a C8a C9 115.1(19) . . ?
C10a C8a C4 119.9(15) . . ?
C9a C8a C4 100.4(17) . . ?
C4 C8Ab C10A 105.9(12) . . ?
C4 C8Ab C9A 111.6(12) . . ?
C10Ab C8Ab C9A 113.6(13) . . ?
N1 C11 C12 123.7(6) . . ?
N1 C11 C20 113.9(5) . . ?
C12 C11 C20 122.3(6) . . ?
C13 C12 C11 118.2(6) . . ?
C12 C13 C14 120.1(5) . . ?
C15 C14 C13 122.1(5) . . ?
C15 C14 C19 119.2(5) . . ?
C13 C14 C19 118.6(5) . . ?
C16 C15 C14 120.6(5) . . ?
C15 C16 C17 120.4(6) . . ?
C18 C17 C16 120.6(6) . . ?
C17 C18 C19 120.3(6) . . ?
N1 C19 C18 121.3(5) . . ?
N1 C19 C14 120.0(5) . . ?
C18 C19 C14 118.7(5) . . ?
N2 C20 N3 112.4(5) . . ?
N2 C20 C11 118.2(6) . . ?
N3 C20 C11 129.4(6) . . ?
N2 C21 C26 131.7(6) . . ?
N2 C21 C22 107.9(5) . . ?
C26 C21 C22 120.4(6) . . ?
N3 C22 C23 130.9(6) . . ?
N3 C22 C21 106.4(6) . . ?
C23 C22 C21 122.7(6) . . ?
C24 C23 C22 115.7(7) . . ?
C25 C24 C23 122.3(7) . . ?
C24 C25 C26 121.6(7) . . ?
C21 C26 C25 117.2(7) . . ?
C28 C27 C32 118.5(9) . . ?
C28 C27 C33 121.1(8) . . ?
C32 C27 C33 120.3(8) . . ?
C28 C27 RU2 69.9(4) . . ?
C32 C27 RU2 71.1(4) . . ?
C33 C27 RU2 128.7(6) . . ?
C29 C28 C27 120.5(8) . . ?
C29 C28 RU2 70.2(4) . . ?
C27 C28 RU2 72.7(4) . . ?
C30 C29 C28 122.5(9) . . ?
C30 C29 RU2 72.2(5) . . ?
C28 C29 RU2 71.9(4) . . ?
C34Ab C30 C29 140.5(18) . . ?
C34Ab C30 C31 101.9(17) . . ?
C29 C30 C31 115.4(11) . . ?
C29 C30 C34 116.2(11) . . ?
C31 C30 C34 128.3(10) . . ?
C34Ab C30 RU2 139.5(15) . . ?
C29 C30 RU2 70.3(5) . . ?
C31 C30 RU2 69.5(5) . . ?
C34a C30 RU2 126.5(8) . . ?
C32 C31 C30 123.3(9) . . ?
C32 C31 RU2 73.7(5) . . ?
C30 C31 RU2 71.8(5) . . ?
C31 C32 C27 119.7(8) . . ?
C31 C32 RU2 69.3(5) . . ?
C27 C32 RU2 71.7(4) . . ?
C35Ba C34a C30 103.2(15) . . ?
C35Ba C34a C36 92.2(18) . . ?
C30 C34a C36 102.0(16) . . ?
C30 C34Ab C35A 121(3) . . ?
C30 C34Ab C36 134(3) . . ?
C35Ab C34Ab C36 92(3) . . ?
C34Ab C36 C56 149(3) . 2_766 ?
C56 C36 C34 123(3) 2_766 . ?
N4 C37 C38 124.0(6) . . ?
N4 C37 C46 113.4(5) . . ?
C38 C37 C46 122.5(6) . . ?
C39 C38 C37 118.8(6) . . ?
C38 C39 C40 119.6(6) . . ?
C45 C40 C39 119.5(6) . . ?
C45 C40 C41 118.9(6) . . ?
C39 C40 C41 121.6(6) . . ?
C42 C41 C40 120.0(6) . . ?
C41 C42 C43 121.0(6) . . ?
C44 C43 C42 120.5(6) . . ?
C43 C44 C45 120.1(6) . . ?
N4 C45 C44 121.1(5) . . ?
N4 C45 C40 119.4(5) . . ?
C44 C45 C40 119.5(5) . . ?
N5 C46 N6 112.1(5) . . ?
N5 C46 C37 119.4(5) . . ?
N6 C46 C37 128.3(6) . . ?
N6 C47 C52 107.1(5) . . ?
N6 C47 C48 129.4(6) . . ?
C52 C47 C48 123.5(6) . . ?
C49 C48 C47 115.0(7) . . ?
C48 C49 C50 122.0(6) . . ?
C51 C50 C49 122.7(7) . . ?
C50 C51 C52 116.2(6) . . ?
N5 C52 C47 108.2(5) . . ?
N5 C52 C51 131.2(6) . . ?
C47 C52 C51 120.6(6) . . ?
CL8 C53 CL7 110.1(4) . . ?
CL5 C54 CL6 113.3(5) . . ?
CL9Ab C55 CL9A 103.0(12) . 2_757 ?
CL9a C55 CL9 113.2(10) . 2_757 ?
C57a C56 C36 117.0(14) . 2_766 ?
C57Ab C56 C36 97(2) . 2_766 ?
C58 C57a C56 166.2(12) . . ?
C57a C58 C58 136.1(11) . 2_666 ?
C11 N1 C19 119.1(5) . . ?
C11 N1 RU1 114.8(4) . . ?
C19 N1 RU1 126.2(4) . . ?
C20 N2 C21 106.1(5) . . ?
C20 N2 RU1 116.3(4) . . ?
C21 N2 RU1 137.6(4) . . ?
C20 N3 C22 107.2(5) . . ?
C37 N4 C45 118.6(5) . . ?
C37 N4 RU2 114.7(4) . . ?
C45 N4 RU2 126.7(4) . . ?
C46 N5 C52 106.3(5) . . ?
C46 N5 RU2 115.5(4) . . ?
C52 N5 RU2 138.2(4) . . ?
C46 N6 C47 106.3(5) . . ?
C55 CL9a C55 66.8(10) . 2_757 ?
C55 CL9Ab C55 77.0(12) . 2_757 ?
N2 RU1 C3 88.6(3) . . ?
N2 RU1 C5 137.5(4) . . ?
C3 RU1 C5 68.6(3) . . ?
N2 RU1 N1 75.88(19) . . ?
C3 RU1 N1 132.9(2) . . ?
C5 RU1 N1 93.6(3) . . ?
N2 RU1 C4 102.0(4) . . ?
C3 RU1 C4 38.4(3) . . ?
C5 RU1 C4 38.9(5) . . ?
N1 RU1 C4 101.4(2) . . ?
N2 RU1 C2 104.2(2) . . ?
C3 RU1 C2 37.5(3) . . ?
C5 RU1 C2 79.5(3) . . ?
N1 RU1 C2 169.9(2) . . ?
C4 RU1 C2 68.6(3) . . ?
N2 RU1 C6 168.3(3) . . ?
C3 RU1 C6 79.7(3) . . ?
C5 RU1 C6 36.1(4) . . ?
N1 RU1 C6 111.5(2) . . ?
C4 RU1 C6 68.1(5) . . ?
C2 RU1 C6 66.8(3) . . ?
N2 RU1 C1 138.4(2) . . ?
C3 RU1 C1 67.4(3) . . ?
C5 RU1 C1 65.7(4) . . ?
N1 RU1 C1 145.1(2) . . ?
C4 RU1 C1 80.3(3) . . ?
C2 RU1 C1 37.3(3) . . ?
C6 RU1 C1 36.3(3) . . ?
N2 RU1 CL1 86.87(15) . . ?
C3 RU1 CL1 138.6(2) . . ?
C5 RU1 CL1 134.0(4) . . ?
N1 RU1 CL1 85.33(13) . . ?
C4 RU1 CL1 169.9(3) . . ?
C2 RU1 CL1 104.77(19) . . ?
C6 RU1 CL1 102.5(3) . . ?
C1 RU1 CL1 89.9(2) . . ?
N5 RU2 C31 137.1(4) . . ?
N5 RU2 N4 76.07(19) . . ?
C31 RU2 N4 92.9(3) . . ?
N5 RU2 C29 89.2(3) . . ?
C31 RU2 C29 67.5(4) . . ?
N4 RU2 C29 131.9(3) . . ?
N5 RU2 C28 104.2(2) . . ?
C31 RU2 C28 79.5(3) . . ?
N4 RU2 C28 169.2(3) . . ?
C29 RU2 C28 37.9(4) . . ?
N5 RU2 C30 102.0(4) . . ?
C31 RU2 C30 38.7(4) . . ?
N4 RU2 C30 100.7(3) . . ?
C29 RU2 C30 37.5(4) . . ?
C28 RU2 C30 68.6(4) . . ?
N5 RU2 C32 168.9(3) . . ?
C31 RU2 C32 37.0(4) . . ?
N4 RU2 C32 111.2(2) . . ?
C29 RU2 C32 79.7(3) . . ?
C28 RU2 C32 67.1(3) . . ?
C30 RU2 C32 68.9(4) . . ?
N5 RU2 C27 137.7(2) . . ?
C31 RU2 C27 67.2(4) . . ?
N4 RU2 C27 145.4(2) . . ?
C29 RU2 C27 68.0(3) . . ?
C28 RU2 C27 37.4(3) . . ?
C30 RU2 C27 81.5(4) . . ?
C32 RU2 C27 37.2(3) . . ?
N5 RU2 CL2 86.36(14) . . ?
C31 RU2 CL2 134.9(4) . . ?
N4 RU2 CL2 86.20(13) . . ?
C29 RU2 CL2 139.0(3) . . ?
C28 RU2 CL2 104.6(3) . . ?
C30 RU2 CL2 170.2(3) . . ?
C32 RU2 CL2 102.3(3) . . ?
C27 RU2 CL2 88.8(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
C6 C1 C2 C3 -2.7(10) . . . . ?
C7 C1 C2 C3 -179.0(7) . . . . ?
RU1 C1 C2 C3 -54.5(6) . . . . ?
C6 C1 C2 RU1 51.8(6) . . . . ?
C7 C1 C2 RU1 -124.5(7) . . . . ?
C1 C2 C3 C4 1.8(10) . . . . ?
RU1 C2 C3 C4 -54.3(6) . . . . ?
C1 C2 C3 RU1 56.1(6) . . . . ?
C2 C3 C4 C8Ab -175.5(10) . . . . ?
RU1 C3 C4 C8Ab 129.9(12) . . . . ?
C2 C3 C4 C5 0.0(10) . . . . ?
RU1 C3 C4 C5 -54.6(6) . . . . ?
C2 C3 C4 C8a 173.4(8) . . . . ?
RU1 C3 C4 C8a 118.7(8) . . . . ?
C2 C3 C4 RU1 54.6(6) . . . . ?
C3 C4 C5 C6 -1.0(11) . . . . ?
C8Ab C4 C5 C6 175.4(9) . . . . ?
C8a C4 C5 C6 -171.9(12) . . . . ?
RU1 C4 C5 C6 -55.7(7) . . . . ?
C3 C4 C5 RU1 54.7(6) . . . . ?
C8Ab C4 C5 RU1 -128.9(8) . . . . ?
C8a C4 C5 RU1 -116.2(13) . . . . ?
C4 C5 C6 C1 0.1(12) . . . . ?
RU1 C5 C6 C1 -54.2(7) . . . . ?
C4 C5 C6 RU1 54.3(7) . . . . ?
C2 C1 C6 C5 1.8(11) . . . . ?
C7 C1 C6 C5 178.0(7) . . . . ?
RU1 C1 C6 C5 52.8(6) . . . . ?
C2 C1 C6 RU1 -51.0(6) . . . . ?
C7 C1 C6 RU1 125.2(7) . . . . ?
C3 C4 C8a C10a -10.8(18) . . . . ?
C5 C4 C8a C10a 160.6(13) . . . . ?
RU1 C4 C8a C10a 66.6(18) . . . . ?
C3 C4 C8a C9a 116.3(14) . . . . ?
C5 C4 C8a C9a -72.3(17) . . . . ?
RU1 C4 C8a C9a -166.3(11) . . . . ?
C3 C4 C8Ab C10Ab -25.2(16) . . . . ?
C5 C4 C8Ab C10Ab 159.2(10) . . . . ?
RU1 C4 C8Ab C10Ab 76.9(16) . . . . ?
C3 C4 C8Ab C9Ab 98.9(15) . . . . ?
C5 C4 C8Ab C9Ab -76.8(13) . . . . ?
RU1 C4 C8Ab C9Ab -159.1(11) . . . . ?
N1 C11 C12 C13 0.3(8) . . . . ?
C20 C11 C12 C13 -175.8(5) . . . . ?
C11 C12 C13 C14 3.3(8) . . . . ?
C12 C13 C14 C15 175.7(5) . . . . ?
C12 C13 C14 C19 -2.1(8) . . . . ?
C13 C14 C15 C16 -175.0(5) . . . . ?
C19 C14 C15 C16 2.7(8) . . . . ?
C14 C15 C16 C17 -0.3(9) . . . . ?
C15 C16 C17 C18 -1.5(9) . . . . ?
C16 C17 C18 C19 0.7(9) . . . . ?
C17 C18 C19 N1 178.9(5) . . . . ?
C17 C18 C19 C14 1.7(8) . . . . ?
C15 C14 C19 N1 179.3(5) . . . . ?
C13 C14 C19 N1 -2.9(8) . . . . ?
C15 C14 C19 C18 -3.4(8) . . . . ?
C13 C14 C19 C18 174.4(5) . . . . ?
N1 C11 C20 N2 3.4(8) . . . . ?
C12 C11 C20 N2 179.9(5) . . . . ?
N1 C11 C20 N3 -175.0(6) . . . . ?
C12 C11 C20 N3 1.4(10) . . . . ?
N2 C21 C22 N3 -0.8(7) . . . . ?
C26 C21 C22 N3 179.8(6) . . . . ?
N2 C21 C22 C23 177.8(6) . . . . ?
C26 C21 C22 C23 -1.6(10) . . . . ?
N3 C22 C23 C24 178.5(7) . . . . ?
C21 C22 C23 C24 0.4(11) . . . . ?
C22 C23 C24 C25 1.2(12) . . . . ?
C23 C24 C25 C26 -1.6(13) . . . . ?
N2 C21 C26 C25 -178.1(7) . . . . ?
C22 C21 C26 C25 1.2(10) . . . . ?
C24 C25 C26 C21 0.4(11) . . . . ?
C32 C27 C28 C29 0.3(10) . . . . ?
C33 C27 C28 C29 -177.3(7) . . . . ?
RU2 C27 C28 C29 -53.5(6) . . . . ?
C32 C27 C28 RU2 53.7(6) . . . . ?
C33 C27 C28 RU2 -123.8(7) . . . . ?
C27 C28 C29 C30 0.7(11) . . . . ?
RU2 C28 C29 C30 -54.0(7) . . . . ?
C27 C28 C29 RU2 54.6(6) . . . . ?
C28 C29 C30 C34Ab -160(3) . . . . ?
RU2 C29 C30 C34Ab 147(3) . . . . ?
C28 C29 C30 C31 -0.5(12) . . . . ?
RU2 C29 C30 C31 -54.4(7) . . . . ?
C28 C29 C30 C34a 175.7(8) . . . . ?
RU2 C29 C30 C34a 121.9(9) . . . . ?
C28 C29 C30 RU2 53.8(7) . . . . ?
C34Ab C30 C31 C32 166.1(16) . . . . ?
C29 C30 C31 C32 -0.5(12) . . . . ?
C34a C30 C31 C32 -176.2(10) . . . . ?
RU2 C30 C31 C32 -55.3(7) . . . . ?
C34Ab C30 C31 RU2 -138.6(16) . . . . ?
C29 C30 C31 RU2 54.8(7) . . . . ?
C34a C30 C31 RU2 -120.9(11) . . . . ?
C30 C31 C32 C27 1.4(12) . . . . ?
RU2 C31 C32 C27 -53.0(6) . . . . ?
C30 C31 C32 RU2 54.5(7) . . . . ?
C28 C27 C32 C31 -1.3(10) . . . . ?
C33 C27 C32 C31 176.3(7) . . . . ?
RU2 C27 C32 C31 51.9(6) . . . . ?
C28 C27 C32 RU2 -53.2(6) . . . . ?
C33 C27 C32 RU2 124.4(7) . . . . ?
C29 C30 C34a C35Ba 94.5(15) . . . . ?
C31 C30 C34a C35Ba -89.9(16) . . . . ?
RU2 C30 C34a C35Ba 178.5(13) . . . . ?
C29 C30 C34a C36 -170.4(15) . . . . ?
C31 C30 C34a C36 5.3(19) . . . . ?
RU2 C30 C34a C36 -86.4(17) . . . . ?
C29 C30 C34Ab C35Ab 87(4) . . . . ?
C31 C30 C34Ab C35Ab -73(3) . . . . ?
RU2 C30 C34Ab C35Ab -146(2) . . . . ?
C29 C30 C34Ab C36 -143(3) . . . . ?
C31 C30 C34Ab C36 56(4) . . . . ?
RU2 C30 C34Ab C36 -17(6) . . . . ?
C30 C34Ab C36 C56 71(7) . . . 2_766 ?
C35Ab C34Ab C36 C56 -151(4) . . . 2_766 ?
C35Ba C34a C36 C56 -129(2) . . . 2_766 ?
C30 C34a C36 C56 127(2) . . . 2_766 ?
N4 C37 C38 C39 0.2(10) . . . . ?
C46 C37 C38 C39 -176.0(6) . . . . ?
C37 C38 C39 C40 3.1(9) . . . . ?
C38 C39 C40 C45 -2.0(9) . . . . ?
C38 C39 C40 C41 176.3(6) . . . . ?
C45 C40 C41 C42 2.0(9) . . . . ?
C39 C40 C41 C42 -176.2(6) . . . . ?
C40 C41 C42 C43 0.6(10) . . . . ?
C41 C42 C43 C44 -2.2(10) . . . . ?
C42 C43 C44 C45 1.1(10) . . . . ?
C43 C44 C45 N4 179.0(6) . . . . ?
C43 C44 C45 C40 1.5(9) . . . . ?
C39 C40 C45 N4 -2.3(9) . . . . ?
C41 C40 C45 N4 179.4(5) . . . . ?
C39 C40 C45 C44 175.3(6) . . . . ?
C41 C40 C45 C44 -3.0(9) . . . . ?
N4 C37 C46 N5 5.2(8) . . . . ?
C38 C37 C46 N5 -178.3(6) . . . . ?
N4 C37 C46 N6 -169.3(6) . . . . ?
C38 C37 C46 N6 7.3(10) . . . . ?
N6 C47 C48 C49 177.5(7) . . . . ?
C52 C47 C48 C49 0.1(11) . . . . ?
C47 C48 C49 C50 1.1(11) . . . . ?
C48 C49 C50 C51 -1.2(12) . . . . ?
C49 C50 C51 C52 0.0(11) . . . . ?
N6 C47 C52 N5 -1.3(7) . . . . ?
C48 C47 C52 N5 176.6(6) . . . . ?
N6 C47 C52 C51 -179.2(6) . . . . ?
C48 C47 C52 C51 -1.3(10) . . . . ?
C50 C51 C52 N5 -176.2(6) . . . . ?
C50 C51 C52 C47 1.2(9) . . . . ?
C36 C56 C57a C58 -48(5) 2_766 . . . ?
C56 C57a C58 C58 -69(5) . . . 2_666 ?
C12 C11 N1 C19 -5.3(8) . . . . ?
C20 C11 N1 C19 171.2(5) . . . . ?
C12 C11 N1 RU1 174.4(4) . . . . ?
C20 C11 N1 RU1 -9.2(6) . . . . ?
C18 C19 N1 C11 -170.8(5) . . . . ?
C14 C19 N1 C11 6.4(7) . . . . ?
C18 C19 N1 RU1 9.7(7) . . . . ?
C14 C19 N1 RU1 -173.2(4) . . . . ?
N3 C20 N2 C21 1.0(7) . . . . ?
C11 C20 N2 C21 -177.7(5) . . . . ?
N3 C20 N2 RU1 -176.8(4) . . . . ?
C11 C20 N2 RU1 4.5(7) . . . . ?
C26 C21 N2 C20 179.2(7) . . . . ?
C22 C21 N2 C20 -0.1(7) . . . . ?
C26 C21 N2 RU1 -3.7(11) . . . . ?
C22 C21 N2 RU1 176.9(5) . . . . ?
N2 C20 N3 C22 -1.5(7) . . . . ?
C11 C20 N3 C22 177.0(6) . . . . ?
C23 C22 N3 C20 -177.1(7) . . . . ?
C21 C22 N3 C20 1.3(7) . . . . ?
C38 C37 N4 C45 -4.5(9) . . . . ?
C46 C37 N4 C45 172.0(5) . . . . ?
C38 C37 N4 RU2 173.2(5) . . . . ?
C46 C37 N4 RU2 -10.3(6) . . . . ?
C44 C45 N4 C37 -172.1(6) . . . . ?
C40 C45 N4 C37 5.4(8) . . . . ?
C44 C45 N4 RU2 10.5(8) . . . . ?
C40 C45 N4 RU2 -172.0(4) . . . . ?
N6 C46 N5 C52 0.4(7) . . . . ?
C37 C46 N5 C52 -174.9(5) . . . . ?
N6 C46 N5 RU2 178.2(4) . . . . ?
C37 C46 N5 RU2 2.9(7) . . . . ?
C47 C52 N5 C46 0.5(7) . . . . ?
C51 C52 N5 C46 178.1(6) . . . . ?
C47 C52 N5 RU2 -176.5(5) . . . . ?
C51 C52 N5 RU2 1.1(11) . . . . ?
N5 C46 N6 C47 -1.2(7) . . . . ?
C37 C46 N6 C47 173.6(6) . . . . ?
C52 C47 N6 C46 1.5(7) . . . . ?
C48 C47 N6 C46 -176.2(7) . . . . ?
CL9a C55 CL9a C55 0.001(2) 2_757 . . 2_757 ?
CL9Ab C55 CL9Ab C55 0.001(2) 2_757 . . 2_757 ?

_refine_diff_density_max         1.879
_refine_diff_density_min         -2.261
_refine_diff_density_rms         0.393

