# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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 
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data_rwlc5
_database_code_depnum_ccdc_archive 'CCDC 1569727'
_audit_update_record             
;
2017-08-18 deposited with the CCDC.
2017-08-18 downloaded from the CCDC.
;
_audit_creation_date             2017-06-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'(Cd2 Cl2 C16 H8 O8), C30 H24 N6 Ru, 0.34(H2 O)'
_chemical_formula_sum            'C46 H32.68 Cd2 Cl2 N6 O8.34 Ru'
_chemical_formula_weight         1199.67
_chemical_absolute_configuration ad
_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 0.0181 0.0091 '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'
Cd Cd 0.1185 4.6533 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   18.4093(5)
_cell_length_b                   16.6908(4)
_cell_length_c                   14.8012(4)
_cell_angle_alpha                90
_cell_angle_beta                 111.1042(8)
_cell_angle_gamma                90
_cell_volume                     4242.86(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8903
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.92
_cell_measurement_theta_min      4.24
_shelx_estimated_absorpt_T_max   0.182
_shelx_estimated_absorpt_T_min   0.127
_exptl_absorpt_coefficient_mu    12.511
_exptl_absorpt_correction_T_max  0.1852
_exptl_absorpt_correction_T_min  0.0504
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1255 before and 0.0638 after correction.
The Ratio of minimum to maximum transmission is 0.2721.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.878
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2366
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.246
_exptl_crystal_size_min          0.207
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0428
_diffrn_reflns_av_unetI/netI     0.0246
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            31004
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         77.177
_diffrn_reflns_theta_min         3.693
_diffrn_ambient_temperature      99.99
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker D8 Venture PHOTON 100 CMOS'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  mirrors
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'INCOATEC Imus micro-focus source'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4374
_reflns_number_total             4437
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.783
_refine_diff_density_min         -1.098
_refine_diff_density_rms         0.089
_refine_ls_extinction_coef       0.000202(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         4437
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0251
_refine_ls_R_factor_gt           0.0247
_refine_ls_restrained_S_all      1.119
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0291P)²+11.1779P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0622
_refine_ls_wR_factor_ref         0.0624
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Others
 Fixed Sof: O41(0.17)
3.a Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C15(H15), C16(H16), C23(H23), C24(H24), C25(H25), C26(H26),
 C29(H29), C30(H30), C31(H31), C32(H32), C35(H35), C36(H36), C37(H37), C38(H38)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Cd1 Cd 0.73242(2) 0.66165(2) 0.41514(2) 0.01298(7) Uani 1 1 d . . . . .
Cl2 Cl 0.71997(3) 0.64271(3) 0.24746(4) 0.01935(12) Uani 1 1 d . . . . .
O3 O 0.61305(10) 0.64780(10) 0.42496(15) 0.0207(4) Uani 1 1 d . . . . .
C4 C 0.62470(14) 0.57671(14) 0.45702(17) 0.0159(5) Uani 1 1 d . . . . .
O5 O 0.68854(10) 0.54109(10) 0.47291(14) 0.0200(4) Uani 1 1 d . . . . .
C6 C 0.55964(14) 0.53597(14) 0.47767(17) 0.0153(4) Uani 1 1 d . . . . .
C7 C 0.56904(14) 0.45819(14) 0.51485(18) 0.0169(5) Uani 1 1 d . . . . .
H7 H 0.6160 0.4298 0.5245 0.020 Uiso 1 1 calc R . . . .
C8 C 0.50972(14) 0.42239(14) 0.53763(19) 0.0175(5) Uani 1 1 d . . . . .
H8 H 0.5162 0.3697 0.5636 0.021 Uiso 1 1 calc R . . . .
O11 O 0.79468(10) 0.69977(10) 0.58633(13) 0.0155(3) Uani 1 1 d . . . . .
C12 C 0.86015(14) 0.68222(14) 0.57924(18) 0.0154(4) Uani 1 1 d . . . . .
O13 O 0.86448(10) 0.65735(11) 0.50138(13) 0.0202(4) Uani 1 1 d . . . . .
C14 C 0.93245(14) 0.68848(14) 0.66743(18) 0.0150(4) Uani 1 1 d . . . . .
C15 C 0.92731(14) 0.69211(14) 0.75908(18) 0.0164(5) Uani 1 1 d . . . . .
H15 H 0.8778 0.6963 0.7652 0.020 Uiso 1 1 calc R . . . .
C16 C 0.99450(14) 0.68965(15) 0.84139(18) 0.0176(5) Uani 1 1 d . . . . .
H16 H 0.9908 0.6888 0.9037 0.021 Uiso 1 1 calc R . . . .
Ru21 Ru 0.5000 0.19758(2) 0.2500 0.01068(8) Uani 1 2 d S T P . .
N22 N 0.56682(11) 0.10717(11) 0.22514(15) 0.0143(4) Uani 1 1 d . . . . .
C23 C 0.55670(14) 0.07302(15) 0.13912(18) 0.0183(5) Uani 1 1 d . . . . .
H23 H 0.5188 0.0948 0.0824 0.022 Uiso 1 1 calc R . . . .
C24 C 0.59953(16) 0.00739(16) 0.1303(2) 0.0232(5) Uani 1 1 d . . . . .
H24 H 0.5923 -0.0146 0.0684 0.028 Uiso 1 1 calc R . . . .
C25 C 0.65318(15) -0.02565(15) 0.2132(2) 0.0224(5) Uani 1 1 d . . . . .
H25 H 0.6813 -0.0724 0.2091 0.027 Uiso 1 1 calc R . . . .
C26 C 0.66570(14) 0.00952(14) 0.3022(2) 0.0196(5) Uani 1 1 d . . . . .
H26 H 0.7028 -0.0122 0.3597 0.023 Uiso 1 1 calc R . . . .
C27 C 0.62279(14) 0.07748(13) 0.30572(18) 0.0152(4) Uani 1 1 d . . . . .
C28 C 0.63745(13) 0.12605(14) 0.39395(18) 0.0154(5) Uani 1 1 d . . . . .
C29 C 0.69973(15) 0.11284(15) 0.48039(19) 0.0203(5) Uani 1 1 d . . . . .
H29 H 0.7336 0.0684 0.4871 0.024 Uiso 1 1 calc R . . . .
C30 C 0.71123(16) 0.16578(16) 0.55625(19) 0.0226(5) Uani 1 1 d . . . . .
H30 H 0.7537 0.1584 0.6155 0.027 Uiso 1 1 calc R . . . .
C31 C 0.66049(16) 0.22975(16) 0.54550(19) 0.0227(5) Uani 1 1 d . . . . .
H31 H 0.6676 0.2664 0.5971 0.027 Uiso 1 1 calc R . . . .
C32 C 0.59930(15) 0.23909(15) 0.45801(18) 0.0187(5) Uani 1 1 d . . . . .
H32 H 0.5643 0.2825 0.4508 0.022 Uiso 1 1 calc R . . . .
N33 N 0.58755(11) 0.18872(12) 0.38270(15) 0.0137(4) Uani 1 1 d . . . . .
N34 N 0.44131(11) 0.29316(11) 0.28050(14) 0.0129(4) Uani 1 1 d . . . . .
C35 C 0.37914(14) 0.28796(14) 0.30796(18) 0.0156(5) Uani 1 1 d . . . . .
H35 H 0.3636 0.2367 0.3223 0.019 Uiso 1 1 calc R . . . .
C36 C 0.33712(14) 0.35467(15) 0.31611(18) 0.0174(5) Uani 1 1 d . . . . .
H36 H 0.2941 0.3492 0.3368 0.021 Uiso 1 1 calc R . . . .
C37 C 0.35877(14) 0.42960(14) 0.29360(18) 0.0169(5) Uani 1 1 d . . . . .
H37 H 0.3294 0.4759 0.2960 0.020 Uiso 1 1 calc R . . . .
C38 C 0.42396(14) 0.43598(14) 0.26752(18) 0.0164(5) Uani 1 1 d . . . . .
H38 H 0.4403 0.4869 0.2532 0.020 Uiso 1 1 calc R . . . .
C39 C 0.46495(13) 0.36734(14) 0.26266(17) 0.0140(4) Uani 1 1 d . . . . .
O41 O 0.5000 0.6098(5) 0.2500 0.0253(16) Uani 0.34 2 d S T P . .


_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
Cd1 Cl2 2.4295(6) . ?
Cd1 O3 2.2658(17) . ?
Cd1 C4 2.686(2) . ?
Cd1 O5 2.4353(17) . ?
Cd1 O11 2.4592(17) . ?
Cd1 O11 2.3648(16) 7_666 ?
Cd1 C12 2.726(2) . ?
Cd1 O13 2.3043(18) . ?
O3 C4 1.267(3) . ?
C4 O5 1.261(3) . ?
C4 C6 1.501(3) . ?
C6 C7 1.396(3) . ?
C6 C8 1.399(3) 5_666 ?
C7 H7 0.9500 . ?
C7 C8 1.389(3) . ?
C8 C6 1.399(3) 5_666 ?
C8 H8 0.9500 . ?
O11 Cd1 2.3647(16) 7_666 ?
O11 C12 1.281(3) . ?
C12 O13 1.254(3) . ?
C12 C14 1.495(3) . ?
C14 C15 1.395(4) . ?
C14 C16 1.397(3) 2_756 ?
C15 H15 0.9500 . ?
C15 C16 1.389(4) . ?
C16 C14 1.397(3) 2_756 ?
C16 H16 0.9500 . ?
Ru21 N22 2.0619(19) . ?
Ru21 N22 2.0619(19) 2_655 ?
Ru21 N33 2.049(2) 2_655 ?
Ru21 N33 2.049(2) . ?
Ru21 N34 2.0657(19) . ?
Ru21 N34 2.0657(19) 2_655 ?
N22 C23 1.345(3) . ?
N22 C27 1.358(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.383(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.384(4) . ?
C25 H25 0.9500 . ?
C25 C26 1.383(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.394(3) . ?
C27 C28 1.477(3) . ?
C28 C29 1.394(3) . ?
C28 N33 1.362(3) . ?
C29 H29 0.9500 . ?
C29 C30 1.384(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.390(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.385(4) . ?
C32 H32 0.9500 . ?
C32 N33 1.350(3) . ?
N34 C35 1.348(3) . ?
N34 C39 1.369(3) . ?
C35 H35 0.9500 . ?
C35 C36 1.386(3) . ?
C36 H36 0.9500 . ?
C36 C37 1.389(4) . ?
C37 H37 0.9500 . ?
C37 C38 1.391(3) . ?
C38 H38 0.9500 . ?
C38 C39 1.388(3) . ?
C39 C39 1.468(5) 2_655 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl2 Cd1 C4 111.17(5) . . ?
Cl2 Cd1 O5 109.27(5) . . ?
Cl2 Cd1 O11 157.49(4) . . ?
Cl2 Cd1 C12 131.33(5) . . ?
O3 Cd1 Cl2 108.38(5) . . ?
O3 Cd1 C4 28.05(7) . . ?
O3 Cd1 O5 56.02(6) . . ?
O3 Cd1 O11 93.63(6) . . ?
O3 Cd1 O11 83.92(6) . 7_666 ?
O3 Cd1 C12 120.06(7) . . ?
O3 Cd1 O13 144.63(7) . . ?
C4 Cd1 C12 109.42(7) . . ?
O5 Cd1 C4 27.97(7) . . ?
O5 Cd1 O11 86.70(6) . . ?
O5 Cd1 C12 94.59(7) . . ?
O11 Cd1 Cl2 100.13(4) 7_666 . ?
O11 Cd1 C4 90.44(6) . . ?
O11 Cd1 C4 110.34(7) 7_666 . ?
O11 Cd1 O5 135.72(6) 7_666 . ?
O11 Cd1 O11 76.99(6) 7_666 . ?
O11 Cd1 C12 89.80(6) 7_666 . ?
O11 Cd1 C12 28.00(7) . . ?
O13 Cd1 Cl2 104.75(5) . . ?
O13 Cd1 C4 125.11(7) . . ?
O13 Cd1 O5 101.36(6) . . ?
O13 Cd1 O11 55.24(6) . . ?
O13 Cd1 O11 102.27(6) . 7_666 ?
O13 Cd1 C12 27.25(7) . . ?
C4 O3 Cd1 94.72(15) . . ?
O3 C4 Cd1 57.23(12) . . ?
O3 C4 C6 117.4(2) . . ?
O5 C4 Cd1 64.91(12) . . ?
O5 C4 O3 122.1(2) . . ?
O5 C4 C6 120.4(2) . . ?
C6 C4 Cd1 174.65(17) . . ?
C4 O5 Cd1 87.12(14) . . ?
C7 C6 C4 120.4(2) . . ?
C7 C6 C8 120.1(2) . 5_666 ?
C8 C6 C4 119.4(2) 5_666 . ?
C6 C7 H7 120.0 . . ?
C8 C7 C6 119.9(2) . . ?
C8 C7 H7 120.0 . . ?
C6 C8 H8 120.0 5_666 . ?
C7 C8 C6 119.9(2) . 5_666 ?
C7 C8 H8 120.0 . . ?
Cd1 O11 Cd1 103.01(6) 7_666 . ?
C12 O11 Cd1 87.68(14) . . ?
C12 O11 Cd1 115.13(14) . 7_666 ?
O11 C12 Cd1 64.32(13) . . ?
O11 C12 C14 118.7(2) . . ?
O13 C12 Cd1 57.28(13) . . ?
O13 C12 O11 121.6(2) . . ?
O13 C12 C14 119.6(2) . . ?
C14 C12 Cd1 176.12(17) . . ?
C12 O13 Cd1 95.47(15) . . ?
C15 C14 C12 120.1(2) . . ?
C15 C14 C16 119.7(2) . 2_756 ?
C16 C14 C12 120.2(2) 2_756 . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.0(2) . . ?
C16 C15 H15 120.0 . . ?
C14 C16 H16 119.9 2_756 . ?
C15 C16 C14 120.1(2) . 2_756 ?
C15 C16 H16 119.9 . . ?
N22 Ru21 N22 85.91(11) 2_655 . ?
N22 Ru21 N34 97.68(8) . 2_655 ?
N22 Ru21 N34 175.37(8) 2_655 2_655 ?
N22 Ru21 N34 175.37(8) . . ?
N22 Ru21 N34 97.68(8) 2_655 . ?
N33 Ru21 N22 78.72(8) . . ?
N33 Ru21 N22 78.72(8) 2_655 2_655 ?
N33 Ru21 N22 95.16(8) 2_655 . ?
N33 Ru21 N22 95.16(8) . 2_655 ?
N33 Ru21 N33 171.72(11) 2_655 . ?
N33 Ru21 N34 97.99(8) . . ?
N33 Ru21 N34 88.42(8) 2_655 . ?
N33 Ru21 N34 97.99(8) 2_655 2_655 ?
N33 Ru21 N34 88.42(8) . 2_655 ?
N34 Ru21 N34 78.88(11) . 2_655 ?
C23 N22 Ru21 126.21(17) . . ?
C23 N22 C27 118.6(2) . . ?
C27 N22 Ru21 115.03(16) . . ?
N22 C23 H23 118.8 . . ?
N22 C23 C24 122.4(2) . . ?
C24 C23 H23 118.8 . . ?
C23 C24 H24 120.6 . . ?
C23 C24 C25 118.7(2) . . ?
C25 C24 H24 120.6 . . ?
C24 C25 H25 120.1 . . ?
C26 C25 C24 119.8(2) . . ?
C26 C25 H25 120.1 . . ?
C25 C26 H26 120.7 . . ?
C25 C26 C27 118.6(2) . . ?
C27 C26 H26 120.7 . . ?
N22 C27 C26 121.7(2) . . ?
N22 C27 C28 114.5(2) . . ?
C26 C27 C28 123.7(2) . . ?
C29 C28 C27 123.5(2) . . ?
N33 C28 C27 114.4(2) . . ?
N33 C28 C29 122.0(2) . . ?
C28 C29 H29 120.7 . . ?
C30 C29 C28 118.6(2) . . ?
C30 C29 H29 120.7 . . ?
C29 C30 H30 120.1 . . ?
C29 C30 C31 119.8(2) . . ?
C31 C30 H30 120.1 . . ?
C30 C31 H31 120.6 . . ?
C32 C31 C30 118.7(2) . . ?
C32 C31 H31 120.6 . . ?
C31 C32 H32 118.8 . . ?
N33 C32 C31 122.4(2) . . ?
N33 C32 H32 118.8 . . ?
C28 N33 Ru21 115.83(16) . . ?
C32 N33 Ru21 125.70(17) . . ?
C32 N33 C28 118.5(2) . . ?
C35 N34 Ru21 125.71(16) . . ?
C35 N34 C39 118.7(2) . . ?
C39 N34 Ru21 115.39(16) . . ?
N34 C35 H35 118.8 . . ?
N34 C35 C36 122.4(2) . . ?
C36 C35 H35 118.8 . . ?
C35 C36 H36 120.5 . . ?
C35 C36 C37 119.0(2) . . ?
C37 C36 H36 120.5 . . ?
C36 C37 H37 120.5 . . ?
C36 C37 C38 119.1(2) . . ?
C38 C37 H37 120.5 . . ?
C37 C38 H38 120.3 . . ?
C39 C38 C37 119.4(2) . . ?
C39 C38 H38 120.3 . . ?
N34 C39 C38 121.3(2) . . ?
N34 C39 C39 114.76(13) . 2_655 ?
C38 C39 C39 123.89(14) . 2_655 ?

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
Cd1 O3 C4 O5 1.1(3) . . . . ?
Cd1 O3 C4 C6 179.90(18) . . . . ?
Cd1 O11 C12 Cd1 -103.28(11) 7_666 . . . ?
Cd1 O11 C12 O13 0.1(2) . . . . ?
Cd1 O11 C12 O13 -103.2(2) 7_666 . . . ?
Cd1 O11 C12 C14 79.4(2) 7_666 . . . ?
Cd1 O11 C12 C14 -177.30(19) . . . . ?
O3 C4 O5 Cd1 -1.0(2) . . . . ?
O3 C4 C6 C7 -178.8(2) . . . . ?
O3 C4 C6 C8 -0.9(3) . . . 5_666 ?
C4 C6 C7 C8 177.2(2) . . . . ?
O5 C4 C6 C7 0.1(4) . . . . ?
O5 C4 C6 C8 178.0(2) . . . 5_666 ?
C6 C4 O5 Cd1 -179.8(2) . . . . ?
C6 C7 C8 C6 0.7(4) . . . 5_666 ?
C8 C6 C7 C8 -0.7(4) 5_666 . . . ?
O11 C12 O13 Cd1 -0.1(2) . . . . ?
O11 C12 C14 C15 16.9(3) . . . . ?
O11 C12 C14 C16 -164.0(2) . . . 2_756 ?
C12 C14 C15 C16 173.4(2) . . . . ?
O13 C12 C14 C15 -160.6(2) . . . . ?
O13 C12 C14 C16 18.6(3) . . . 2_756 ?
C14 C12 O13 Cd1 177.27(18) . . . . ?
C14 C15 C16 C14 3.9(3) . . . 2_756 ?
C16 C14 C15 C16 -5.7(3) 2_756 . . . ?
Ru21 N22 C23 C24 -173.60(19) . . . . ?
Ru21 N22 C27 C26 171.47(18) . . . . ?
Ru21 N22 C27 C28 -12.6(2) . . . . ?
Ru21 N34 C35 C36 -172.16(18) . . . . ?
Ru21 N34 C39 C38 171.29(18) . . . . ?
Ru21 N34 C39 C39 -7.9(3) . . . 2_655 ?
N22 C23 C24 C25 1.8(4) . . . . ?
N22 C27 C28 C29 -170.2(2) . . . . ?
N22 C27 C28 N33 5.9(3) . . . . ?
C23 N22 C27 C26 -4.7(3) . . . . ?
C23 N22 C27 C28 171.3(2) . . . . ?
C23 C24 C25 C26 -3.2(4) . . . . ?
C24 C25 C26 C27 0.7(4) . . . . ?
C25 C26 C27 N22 3.3(4) . . . . ?
C25 C26 C27 C28 -172.3(2) . . . . ?
C26 C27 C28 C29 5.6(4) . . . . ?
C26 C27 C28 N33 -178.2(2) . . . . ?
C27 N22 C23 C24 2.0(4) . . . . ?
C27 C28 C29 C30 175.2(2) . . . . ?
C27 C28 N33 Ru21 3.7(3) . . . . ?
C27 C28 N33 C32 -176.3(2) . . . . ?
C28 C29 C30 C31 0.9(4) . . . . ?
C29 C28 N33 Ru21 179.89(18) . . . . ?
C29 C28 N33 C32 -0.1(3) . . . . ?
C29 C30 C31 C32 -0.3(4) . . . . ?
C30 C31 C32 N33 -0.5(4) . . . . ?
C31 C32 N33 Ru21 -179.27(18) . . . . ?
C31 C32 N33 C28 0.7(3) . . . . ?
N33 C28 C29 C30 -0.7(4) . . . . ?
N34 C35 C36 C37 1.2(4) . . . . ?
C35 N34 C39 C38 -3.3(3) . . . . ?
C35 N34 C39 C39 177.4(2) . . . 2_655 ?
C35 C36 C37 C38 -2.7(4) . . . . ?
C36 C37 C38 C39 1.3(4) . . . . ?
C37 C38 C39 N34 1.8(4) . . . . ?
C37 C38 C39 C39 -179.1(3) . . . 2_655 ?
C39 N34 C35 C36 1.9(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
