# Electronic Supplementary Material (ESI) for Faraday Discussions.
# This journal is © The Royal Society of Chemistry 2022

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

data_mnc3117_dmf_04212022_0m
_database_code_depnum_ccdc_archive 'CCDC 2221722'
loop_
_audit_author_name
_audit_author_address
'Rick R. Thompson'
;Texas A and M University
United States of America
;
_audit_update_record             
;
2022-11-23 deposited with the CCDC.	2022-12-20 downloaded from the CCDC.
;
_audit_creation_date             2022-11-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C64 H80 N6 O16 Ru4'
_chemical_formula_sum            'C64 H80 N6 O16 Ru4'
_chemical_formula_weight         1593.62
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   11.2116(9)
_cell_length_b                   17.2969(13)
_cell_length_c                   19.8432(15)
_cell_angle_alpha                64.903(2)
_cell_angle_beta                 89.935(2)
_cell_angle_gamma                74.563(2)
_cell_volume                     3331.4(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9804
_cell_measurement_temperature    110.00
_cell_measurement_theta_max      26.27
_cell_measurement_theta_min      2.34
_shelx_estimated_absorpt_T_max   0.981
_shelx_estimated_absorpt_T_min   0.963
_exptl_absorpt_coefficient_mu    0.960
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6622
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016) was used for absorption correction.
wR2(int) was 0.1207 before and 0.0825 after correction.
The Ratio of minimum to maximum transmission is 0.8884.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            violet
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1620
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1158
_diffrn_reflns_av_unetI/netI     0.0534
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            157822
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.444
_diffrn_reflns_theta_min         1.900
_diffrn_ambient_temperature      110.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11184
_reflns_number_total             13694
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.810
_refine_diff_density_min         -2.093
_refine_diff_density_rms         0.192
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.250
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     821
_refine_ls_number_reflns         13694
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1035
_refine_ls_R_factor_gt           0.0842
_refine_ls_restrained_S_all      1.250
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0226P)²+60.0740P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1766
_refine_ls_wR_factor_ref         0.1850
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C29) = Uanis(C60)
3.a Secondary CH2 refined with riding coordinates:
 C01K(H01A,H01B), C01R(H01C,H01D), C01S(H01E,H01F), C5(H5A,H5B), C12(H12A,
 H12B), C27(H27A,H27B), C35(H35A,H35B), C49(H49A,H49B)
3.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C9(H9), C10(H10), C11(H11), C22(H22), C23(H23), C24(H24), C26(H26),
 C37(H37), C39(H39), C40(H40), C41(H41), C51(H51), C52(H52), C53(H53), C55(H55)
3.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C),
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C29(H29A,H29B,H29C), C33(H33A,H33B,
 H33C), C34(H34A,H34B,H34C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C47(H47A,
 H47B,H47C), C48(H48A,H48B,H48C), C57(H57A,H57B,H57C), C58(H58A,H58B,H58C),
 C60(H60A,H60B,H60C)
;
_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
Ru1 Ru 0.93014(7) 0.05674(5) 0.45094(4) 0.01624(16) Uani 1 1 d . . . . .
Ru2 Ru 0.60571(7) 0.42796(5) 0.29182(4) 0.01817(17) Uani 1 1 d . . . . .
Ru3 Ru 0.56290(7) 0.55548(5) 0.18149(4) 0.01715(17) Uani 1 1 d . . . . .
Ru4 Ru 0.47688(6) 0.93955(4) 0.04476(4) 0.01496(16) Uani 1 1 d . . . . .
O1 O 0.9916(5) -0.1443(4) 0.5361(3) 0.0164(12) Uani 1 1 d . . . . .
O2 O 0.8538(5) -0.0329(4) 0.4411(3) 0.0152(12) Uani 1 1 d . . . . .
O3 O 0.9487(5) -0.0401(4) 0.6214(3) 0.0180(13) Uani 1 1 d . . . . .
O4 O 0.8123(5) 0.0691(4) 0.5249(3) 0.0203(13) Uani 1 1 d . . . . .
O5 O 0.5390(6) 0.3697(4) 0.2377(3) 0.0195(13) Uani 1 1 d . . . . .
O6 O 0.4970(5) 0.4937(4) 0.1293(3) 0.0156(12) Uani 1 1 d . . . . .
O7 O 0.7786(6) 0.3907(4) 0.2640(3) 0.0190(13) Uani 1 1 d . . . . .
O8 O 0.7360(5) 0.5149(4) 0.1551(3) 0.0173(13) Uani 1 1 d . . . . .
O9 O 0.6705(6) 0.4890(4) 0.3449(3) 0.0221(14) Uani 1 1 d . . . . .
O10 O 0.6320(6) 0.6127(4) 0.2365(3) 0.0218(14) Uani 1 1 d . . . . .
O11 O 0.4317(6) 0.4700(4) 0.3170(3) 0.0216(14) Uani 1 1 d . . . . .
O12 O 0.3917(6) 0.5939(4) 0.2084(3) 0.0209(13) Uani 1 1 d . . . . .
O13 O 0.5848(5) 0.9440(4) 0.1244(3) 0.0180(13) Uani 1 1 d . . . . .
O14 O 0.6309(5) 1.0611(4) 0.0365(3) 0.0169(12) Uani 1 1 d . . . . .
O15 O 0.6266(5) 0.8610(4) 0.0242(3) 0.0155(12) Uani 1 1 d . . . . .
O16 O 0.6723(5) 0.9790(4) -0.0634(3) 0.0169(13) Uani 1 1 d . . . . .
N1 N 0.7855(7) 0.1735(5) 0.3641(4) 0.0191(16) Uani 1 1 d . . . . .
N2 N 0.7249(7) 0.2329(5) 0.3780(4) 0.0225(17) Uani 1 1 d . . . . .
N3 N 0.6616(8) 0.2919(5) 0.3899(4) 0.0248(17) Uani 1 1 d . . . . .
N4 N 0.5109(7) 0.6916(5) 0.0856(4) 0.0219(17) Uani 1 1 d . . . . .
N5 N 0.4757(7) 0.7514(5) 0.1018(4) 0.0216(17) Uani 1 1 d . . . . .
N6 N 0.4376(7) 0.8113(5) 0.1193(4) 0.0232(17) Uani 1 1 d . . . . .
C1 C 0.8438(8) 0.0179(6) 0.5950(5) 0.0169(18) Uani 1 1 d . . . . .
C01K C 0.8169(9) 0.9154(6) 0.2095(5) 0.0202(19) Uani 1 1 d . . . . .
H01A H 0.8672 0.9187 0.2486 0.024 Uiso 1 1 calc R U . . .
H01B H 0.7714 0.8713 0.2351 0.024 Uiso 1 1 calc R U . . .
C01R C 0.2042(10) 0.6665(7) 0.2875(6) 0.034(3) Uani 1 1 d . . . . .
H01C H 0.2061 0.7121 0.2365 0.041 Uiso 1 1 calc R U . . .
H01D H 0.1197 0.6836 0.3014 0.041 Uiso 1 1 calc R U . . .
C01S C 0.5515(9) 0.2812(6) 0.1414(6) 0.027(2) Uani 1 1 d . . . . .
H01E H 0.5735 0.2393 0.1954 0.033 Uiso 1 1 calc R U . . .
H01F H 0.5203 0.2507 0.1160 0.033 Uiso 1 1 calc R U . . .
C2 C 0.7516(8) 0.0300(6) 0.6497(5) 0.0196(19) Uani 1 1 d . . . . .
C3 C 0.6272(9) 0.0978(7) 0.6070(6) 0.029(2) Uani 1 1 d . . . . .
H3A H 0.6415 0.1542 0.5726 0.043 Uiso 1 1 calc R U . . .
H3B H 0.5721 0.1080 0.6426 0.043 Uiso 1 1 calc R U . . .
H3C H 0.5882 0.0749 0.5782 0.043 Uiso 1 1 calc R U . . .
C4 C 0.8124(10) 0.0644(7) 0.6965(6) 0.032(2) Uani 1 1 d . . . . .
H4A H 0.8941 0.0220 0.7217 0.049 Uiso 1 1 calc R U . . .
H4B H 0.7589 0.0706 0.7341 0.049 Uiso 1 1 calc R U . . .
H4C H 0.8228 0.1227 0.6634 0.049 Uiso 1 1 calc R U . . .
C5 C 0.7358(9) -0.0621(6) 0.7012(5) 0.023(2) Uani 1 1 d . . . . .
H5A H 0.8178 -0.1024 0.7300 0.028 Uiso 1 1 calc R U . . .
H5B H 0.6787 -0.0550 0.7376 0.028 Uiso 1 1 calc R U . . .
C6 C 0.6859(9) -0.1056(6) 0.6609(5) 0.025(2) Uani 1 1 d . . . . .
C7 C 0.7674(9) -0.1584(6) 0.6327(5) 0.023(2) Uani 1 1 d . . . . .
H7 H 0.8548 -0.1701 0.6432 0.027 Uiso 1 1 calc R U . . .
C8 C 0.7246(10) -0.1939(6) 0.5902(5) 0.027(2) Uani 1 1 d . . . . .
C9 C 0.5967(11) -0.1820(7) 0.5802(6) 0.035(3) Uani 1 1 d . . . . .
H9 H 0.5656 -0.2081 0.5532 0.043 Uiso 1 1 calc R U . . .
C10 C 0.5148(11) -0.1324(8) 0.6096(6) 0.038(3) Uani 1 1 d . . . . .
H10 H 0.4280 -0.1251 0.6028 0.046 Uiso 1 1 calc R U . . .
C11 C 0.5581(10) -0.0935(7) 0.6487(6) 0.031(2) Uani 1 1 d . . . . .
H11 H 0.5008 -0.0583 0.6674 0.037 Uiso 1 1 calc R U . . .
C012 C 0.3597(9) 0.5447(6) 0.2702(5) 0.022(2) Uani 1 1 d . . . . .
C12 C 0.8134(10) -0.2422(7) 0.5544(6) 0.031(2) Uani 1 1 d . . . . .
H12A H 0.7776 -0.2859 0.5487 0.037 Uiso 1 1 calc R U . . .
H12B H 0.8923 -0.2763 0.5889 0.037 Uiso 1 1 calc R U . . .
C13 C 0.8443(9) -0.1829(6) 0.4774(6) 0.025(2) Uani 1 1 d . . . . .
C14 C 0.9467(11) -0.2405(7) 0.4520(6) 0.034(2) Uani 1 1 d . . . . .
H14A H 1.0223 -0.2674 0.4883 0.052 Uiso 1 1 calc R U . . .
H14B H 0.9653 -0.2029 0.4025 0.052 Uiso 1 1 calc R U . . .
H14C H 0.9175 -0.2877 0.4491 0.052 Uiso 1 1 calc R U . . .
C15 C 0.7283(10) -0.1341(7) 0.4194(6) 0.033(2) Uani 1 1 d . . . . .
H15A H 0.6913 -0.1777 0.4158 0.049 Uiso 1 1 calc R U . . .
H15B H 0.7514 -0.0991 0.3705 0.049 Uiso 1 1 calc R U . . .
H15C H 0.6677 -0.0941 0.4347 0.049 Uiso 1 1 calc R U . . .
C16 C 0.8992(9) -0.1144(6) 0.4849(5) 0.0201(19) Uani 1 1 d . . . . .
C18 C 0.4454(9) 0.3636(6) 0.1331(5) 0.023(2) Uani 1 1 d . . . . .
C19 C 0.3423(10) 0.3330(7) 0.1796(6) 0.034(2) Uani 1 1 d . . . . .
H19A H 0.3798 0.2886 0.2306 0.051 Uiso 1 1 calc R U . . .
H19B H 0.2995 0.3064 0.1561 0.051 Uiso 1 1 calc R U . . .
H19C H 0.2822 0.3845 0.1816 0.051 Uiso 1 1 calc R U . . .
C20 C 0.3924(9) 0.4232(7) 0.0510(5) 0.027(2) Uani 1 1 d . . . . .
H20A H 0.3259 0.4755 0.0470 0.040 Uiso 1 1 calc R U . . .
H20B H 0.3583 0.3897 0.0307 0.040 Uiso 1 1 calc R U . . .
H20C H 0.4588 0.4428 0.0224 0.040 Uiso 1 1 calc R U . . .
C21 C 0.6669(9) 0.3007(6) 0.1105(6) 0.026(2) Uani 1 1 d . . . . .
C22 C 0.6842(10) 0.3254(7) 0.0350(6) 0.030(2) Uani 1 1 d . . . . .
H22 H 0.6217 0.3274 0.0015 0.037 Uiso 1 1 calc R U . . .
C23 C 0.7912(10) 0.3471(7) 0.0083(6) 0.032(2) Uani 1 1 d . . . . .
H23 H 0.8025 0.3620 -0.0427 0.039 Uiso 1 1 calc R U . . .
C24 C 0.8813(10) 0.3470(7) 0.0557(6) 0.030(2) Uani 1 1 d . . . . .
H24 H 0.9517 0.3656 0.0366 0.036 Uiso 1 1 calc R U . . .
C25 C 0.8691(9) 0.3198(6) 0.1316(6) 0.026(2) Uani 1 1 d . . . . .
C26 C 0.7633(9) 0.2964(6) 0.1580(6) 0.026(2) Uani 1 1 d . . . . .
H26 H 0.7558 0.2768 0.2100 0.032 Uiso 1 1 calc R U . . .
C27 C 0.9647(9) 0.3205(7) 0.1845(6) 0.027(2) Uani 1 1 d . . . . .
H27A H 1.0480 0.3051 0.1687 0.033 Uiso 1 1 calc R U . . .
H27B H 0.9658 0.2736 0.2354 0.033 Uiso 1 1 calc R U . . .
C28 C 0.9414(9) 0.4108(7) 0.1881(6) 0.025(2) Uani 1 1 d . . . . .
C29 C 0.9674(9) 0.4823(7) 0.1148(6) 0.0322(17) Uani 1 1 d . . . . .
H29A H 0.9508 0.5390 0.1181 0.048 Uiso 1 1 calc R U . . .
H29B H 0.9130 0.4903 0.0722 0.048 Uiso 1 1 calc R U . . .
H29C H 1.0548 0.4627 0.1075 0.048 Uiso 1 1 calc R U . . .
C30 C 0.8080(9) 0.4411(6) 0.2021(5) 0.022(2) Uani 1 1 d . . . . .
C31 C 0.6719(9) 0.5684(6) 0.3062(5) 0.022(2) Uani 1 1 d . . . . .
C32 C 0.7247(11) 0.6157(7) 0.3437(6) 0.029(2) Uani 1 1 d . . . . .
C33 C 0.8310(11) 0.6428(8) 0.3034(6) 0.038(3) Uani 1 1 d . . . . .
H33A H 0.8023 0.6781 0.2496 0.056 Uiso 1 1 calc R U . . .
H33B H 0.8989 0.5893 0.3116 0.056 Uiso 1 1 calc R U . . .
H33C H 0.8610 0.6787 0.3228 0.056 Uiso 1 1 calc R U . . .
C34 C 0.7717(13) 0.5522(8) 0.4274(6) 0.043(3) Uani 1 1 d . . . . .
H34A H 0.8384 0.4999 0.4315 0.064 Uiso 1 1 calc R U . . .
H34B H 0.7026 0.5328 0.4528 0.064 Uiso 1 1 calc R U . . .
H34C H 0.8039 0.5835 0.4509 0.064 Uiso 1 1 calc R U . . .
C35 C 0.6197(12) 0.7008(7) 0.3357(6) 0.036(3) Uani 1 1 d . . . . .
H35A H 0.6529 0.7292 0.3624 0.043 Uiso 1 1 calc R U . . .
H35B H 0.6000 0.7438 0.2819 0.043 Uiso 1 1 calc R U . . .
C36 C 0.5020(11) 0.6849(7) 0.3647(6) 0.033(2) Uani 1 1 d . . . . .
C37 C 0.4068(10) 0.6879(7) 0.3168(6) 0.031(2) Uani 1 1 d . . . . .
H37 H 0.4172 0.7042 0.2655 0.038 Uiso 1 1 calc R U . . .
C38 C 0.2979(11) 0.6677(7) 0.3417(6) 0.034(2) Uani 1 1 d . . . . .
C39 C 0.2815(12) 0.6465(7) 0.4160(7) 0.042(3) Uani 1 1 d . . . . .
H39 H 0.2068 0.6341 0.4337 0.050 Uiso 1 1 calc R U . . .
C40 C 0.3733(13) 0.6432(8) 0.4645(7) 0.047(3) Uani 1 1 d . . . . .
H40 H 0.3612 0.6277 0.5155 0.057 Uiso 1 1 calc R U . . .
C41 C 0.4822(13) 0.6619(8) 0.4403(7) 0.044(3) Uani 1 1 d . . . . .
H41 H 0.5440 0.6594 0.4745 0.053 Uiso 1 1 calc R U . . .
C42 C 0.2267(9) 0.5761(7) 0.2855(5) 0.028(2) Uani 1 1 d . . . . .
C43 C 0.2022(11) 0.5052(7) 0.3584(6) 0.035(2) Uani 1 1 d . . . . .
H43A H 0.2648 0.4912 0.3995 0.053 Uiso 1 1 calc R U . . .
H43B H 0.2073 0.4510 0.3525 0.053 Uiso 1 1 calc R U . . .
H43C H 0.1188 0.5279 0.3699 0.053 Uiso 1 1 calc R U . . .
C44 C 0.1412(9) 0.5903(7) 0.2175(6) 0.034(2) Uani 1 1 d . . . . .
H44A H 0.0538 0.6123 0.2235 0.051 Uiso 1 1 calc R U . . .
H44B H 0.1551 0.5334 0.2146 0.051 Uiso 1 1 calc R U . . .
H44C H 0.1607 0.6340 0.1713 0.051 Uiso 1 1 calc R U . . .
C45 C 0.6950(8) 0.8951(6) -0.0239(5) 0.0158(17) Uani 1 1 d . . . . .
C46 C 0.8059(8) 0.8316(6) -0.0370(5) 0.0200(19) Uani 1 1 d . . . . .
C47 C 0.8811(9) 0.8835(6) -0.0930(5) 0.024(2) Uani 1 1 d . . . . .
H47A H 0.9201 0.9136 -0.0713 0.036 Uiso 1 1 calc R U . . .
H47B H 0.8258 0.9281 -0.1389 0.036 Uiso 1 1 calc R U . . .
H47C H 0.9460 0.8423 -0.1050 0.036 Uiso 1 1 calc R U . . .
C48 C 0.7527(9) 0.7772(6) -0.0672(6) 0.027(2) Uani 1 1 d . . . . .
H48A H 0.8213 0.7354 -0.0762 0.041 Uiso 1 1 calc R U . . .
H48B H 0.6977 0.8178 -0.1142 0.041 Uiso 1 1 calc R U . . .
H48C H 0.7051 0.7437 -0.0302 0.041 Uiso 1 1 calc R U . . .
C49 C 0.8881(9) 0.7666(6) 0.0388(5) 0.0202(19) Uani 1 1 d . . . . .
H49A H 0.8386 0.7300 0.0724 0.024 Uiso 1 1 calc R U . . .
H49B H 0.9598 0.7256 0.0300 0.024 Uiso 1 1 calc R U . . .
C50 C 0.9369(9) 0.8125(6) 0.0779(5) 0.0210(19) Uani 1 1 d . . . . .
C51 C 1.0512(9) 0.8307(6) 0.0671(5) 0.025(2) Uani 1 1 d . . . . .
H51 H 1.1018 0.8128 0.0348 0.030 Uiso 1 1 calc R U . . .
C52 C 1.0917(9) 0.8739(7) 0.1021(6) 0.028(2) Uani 1 1 d . . . . .
H52 H 1.1693 0.8866 0.0935 0.033 Uiso 1 1 calc R U . . .
C53 C 1.0189(8) 0.8994(6) 0.1506(5) 0.024(2) Uani 1 1 d . . . . .
H53 H 1.0481 0.9285 0.1755 0.028 Uiso 1 1 calc R U . . .
C54 C 0.9041(9) 0.8826(5) 0.1628(5) 0.0204(19) Uani 1 1 d . . . . .
C55 C 0.8660(8) 0.8371(6) 0.1274(5) 0.0180(18) Uani 1 1 d . . . . .
H55 H 0.7899 0.8225 0.1371 0.022 Uiso 1 1 calc R U . . .
C56 C 0.7213(8) 1.0074(6) 0.1641(5) 0.0207(19) Uani 1 1 d . . . . .
C57 C 0.7858(9) 1.0797(6) 0.1277(6) 0.026(2) Uani 1 1 d . . . . .
H57A H 0.8451 1.0632 0.0963 0.039 Uiso 1 1 calc R U . . .
H57B H 0.8304 1.0857 0.1667 0.039 Uiso 1 1 calc R U . . .
H57C H 0.7232 1.1366 0.0965 0.039 Uiso 1 1 calc R U . . .
C58 C 0.6317(9) 1.0314(7) 0.2161(5) 0.026(2) Uani 1 1 d . . . . .
H58A H 0.5674 1.0879 0.1864 0.040 Uiso 1 1 calc R U . . .
H58B H 0.6787 1.0374 0.2543 0.040 Uiso 1 1 calc R U . . .
H58C H 0.5921 0.9840 0.2406 0.040 Uiso 1 1 calc R U . . .
C59 C 0.6429(8) 1.0040(6) 0.1036(5) 0.0179(18) Uani 1 1 d . . . . .
C60 C 1.0236(9) 0.3962(7) 0.2567(6) 0.0322(17) Uani 1 1 d . . . . .
H60A H 1.0162 0.3437 0.3005 0.048 Uiso 1 1 calc R U . . .
H60B H 0.9965 0.4489 0.2664 0.048 Uiso 1 1 calc R U . . .
H60C H 1.1108 0.3869 0.2469 0.048 Uiso 1 1 calc R U . . .
C61 C 0.4979(9) 0.4130(6) 0.1677(5) 0.0215(19) 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
Ru1 Ru1 2.2859(14) 2_756 ?
Ru1 O1 2.042(6) 2_756 ?
Ru1 O2 2.035(6) . ?
Ru1 O3 2.032(6) 2_756 ?
Ru1 O4 2.014(6) . ?
Ru1 N1 2.234(7) . ?
Ru2 Ru3 2.2871(10) . ?
Ru2 O5 2.013(6) . ?
Ru2 O7 2.027(6) . ?
Ru2 O9 2.026(6) . ?
Ru2 O11 2.034(6) . ?
Ru2 N3 2.247(8) . ?
Ru3 O6 2.030(6) . ?
Ru3 O8 2.029(6) . ?
Ru3 O10 2.024(6) . ?
Ru3 O12 2.008(6) . ?
Ru3 N4 2.230(8) . ?
Ru4 Ru4 2.2849(14) 2_675 ?
Ru4 O13 2.030(6) . ?
Ru4 O14 2.022(6) 2_675 ?
Ru4 O15 2.021(5) . ?
Ru4 O16 2.026(6) 2_675 ?
Ru4 N6 2.245(8) . ?
O1 Ru1 2.042(6) 2_756 ?
O1 C16 1.282(11) . ?
O2 C16 1.257(11) . ?
O3 Ru1 2.032(6) 2_756 ?
O3 C1 1.261(10) . ?
O4 C1 1.278(11) . ?
O5 C61 1.279(11) . ?
O6 C61 1.274(11) . ?
O7 C30 1.273(11) . ?
O8 C30 1.263(11) . ?
O9 C31 1.263(11) . ?
O10 C31 1.274(11) . ?
O11 C012 1.271(11) . ?
O12 C012 1.277(11) . ?
O13 C59 1.292(10) . ?
O14 Ru4 2.022(6) 2_675 ?
O14 C59 1.256(11) . ?
O15 C45 1.269(10) . ?
O16 Ru4 2.026(6) 2_675 ?
O16 C45 1.274(10) . ?
N1 N2 1.209(11) . ?
N2 N3 1.192(11) . ?
N4 N5 1.180(11) . ?
N5 N6 1.203(11) . ?
C1 C2 1.537(12) . ?
C01K H01A 0.9900 . ?
C01K H01B 0.9900 . ?
C01K C54 1.511(12) . ?
C01K C56 1.539(13) . ?
C01R H01C 0.9900 . ?
C01R H01D 0.9900 . ?
C01R C38 1.514(16) . ?
C01R C42 1.534(14) . ?
C01S H01E 0.9900 . ?
C01S H01F 0.9900 . ?
C01S C18 1.540(13) . ?
C01S C21 1.489(14) . ?
C2 C3 1.526(13) . ?
C2 C4 1.539(13) . ?
C2 C5 1.543(13) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.502(13) . ?
C6 C7 1.403(13) . ?
C6 C11 1.397(14) . ?
C7 H7 0.9500 . ?
C7 C8 1.385(13) . ?
C8 C9 1.395(15) . ?
C8 C12 1.501(14) . ?
C9 H9 0.9500 . ?
C9 C10 1.387(16) . ?
C10 H10 0.9500 . ?
C10 C11 1.382(15) . ?
C11 H11 0.9500 . ?
C012 C42 1.523(13) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.538(14) . ?
C13 C14 1.542(14) . ?
C13 C15 1.524(14) . ?
C13 C16 1.531(13) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C18 C19 1.541(14) . ?
C18 C20 1.524(13) . ?
C18 C61 1.521(12) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.402(14) . ?
C21 C26 1.401(14) . ?
C22 H22 0.9500 . ?
C22 C23 1.390(15) . ?
C23 H23 0.9500 . ?
C23 C24 1.381(15) . ?
C24 H24 0.9500 . ?
C24 C25 1.393(14) . ?
C25 C26 1.386(14) . ?
C25 C27 1.506(14) . ?
C26 H26 0.9500 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.546(13) . ?
C28 C29 1.548(14) . ?
C28 C30 1.514(13) . ?
C28 C60 1.533(14) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C31 C32 1.531(12) . ?
C32 C33 1.502(15) . ?
C32 C34 1.546(14) . ?
C32 C35 1.568(15) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C35 C36 1.485(16) . ?
C36 C37 1.406(15) . ?
C36 C41 1.413(15) . ?
C37 H37 0.9500 . ?
C37 C38 1.391(15) . ?
C38 C39 1.384(15) . ?
C39 H39 0.9500 . ?
C39 C40 1.384(18) . ?
C40 H40 0.9500 . ?
C40 C41 1.380(18) . ?
C41 H41 0.9500 . ?
C42 C43 1.533(14) . ?
C42 C44 1.548(15) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.529(11) . ?
C46 C47 1.518(13) . ?
C46 C48 1.542(12) . ?
C46 C49 1.547(13) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C49 C50 1.514(12) . ?
C50 C51 1.395(13) . ?
C50 C55 1.395(12) . ?
C51 H51 0.9500 . ?
C51 C52 1.367(14) . ?
C52 H52 0.9500 . ?
C52 C53 1.398(13) . ?
C53 H53 0.9500 . ?
C53 C54 1.392(13) . ?
C54 C55 1.395(13) . ?
C55 H55 0.9500 . ?
C56 C57 1.524(13) . ?
C56 C58 1.545(12) . ?
C56 C59 1.519(13) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Ru1 Ru1 88.61(17) 2_756 2_756 ?
O1 Ru1 N1 88.5(3) 2_756 . ?
O2 Ru1 Ru1 89.96(16) . 2_756 ?
O2 Ru1 O1 178.4(2) . 2_756 ?
O2 Ru1 N1 92.9(3) . . ?
O3 Ru1 Ru1 89.69(17) 2_756 2_756 ?
O3 Ru1 O1 91.2(2) 2_756 2_756 ?
O3 Ru1 O2 89.5(2) 2_756 . ?
O3 Ru1 N1 96.0(3) 2_756 . ?
O4 Ru1 Ru1 88.72(17) . 2_756 ?
O4 Ru1 O1 89.6(2) . 2_756 ?
O4 Ru1 O2 89.6(2) . . ?
O4 Ru1 O3 178.2(3) . 2_756 ?
O4 Ru1 N1 85.6(3) . . ?
N1 Ru1 Ru1 173.6(2) . 2_756 ?
O5 Ru2 Ru3 88.64(17) . . ?
O5 Ru2 O7 91.0(2) . . ?
O5 Ru2 O9 178.9(3) . . ?
O5 Ru2 O11 89.7(2) . . ?
O5 Ru2 N3 85.6(3) . . ?
O7 Ru2 Ru3 88.08(17) . . ?
O7 Ru2 O11 177.9(3) . . ?
O7 Ru2 N3 85.5(3) . . ?
O9 Ru2 Ru3 90.41(18) . . ?
O9 Ru2 O7 89.5(3) . . ?
O9 Ru2 O11 89.8(3) . . ?
O9 Ru2 N3 95.5(3) . . ?
O11 Ru2 Ru3 89.95(18) . . ?
O11 Ru2 N3 96.5(3) . . ?
N3 Ru2 Ru3 171.3(2) . . ?
O6 Ru3 Ru2 89.93(16) . . ?
O6 Ru3 N4 97.3(3) . . ?
O8 Ru3 Ru2 90.68(17) . . ?
O8 Ru3 O6 90.1(2) . . ?
O8 Ru3 N4 95.3(3) . . ?
O10 Ru3 Ru2 88.14(18) . . ?
O10 Ru3 O6 177.9(2) . . ?
O10 Ru3 O8 89.2(2) . . ?
O10 Ru3 N4 84.6(3) . . ?
O12 Ru3 Ru2 88.67(18) . . ?
O12 Ru3 O6 89.5(2) . . ?
O12 Ru3 O8 179.3(3) . . ?
O12 Ru3 O10 91.2(3) . . ?
O12 Ru3 N4 85.4(3) . . ?
N4 Ru3 Ru2 170.5(2) . . ?
O13 Ru4 Ru4 89.91(17) . 2_675 ?
O13 Ru4 N6 96.6(3) . . ?
O14 Ru4 Ru4 88.50(17) 2_675 2_675 ?
O14 Ru4 O13 178.3(2) 2_675 . ?
O14 Ru4 O16 90.0(2) 2_675 2_675 ?
O14 Ru4 N6 85.0(3) 2_675 . ?
O15 Ru4 Ru4 88.04(17) . 2_675 ?
O15 Ru4 O13 90.6(2) . . ?
O15 Ru4 O14 89.9(2) . 2_675 ?
O15 Ru4 O16 178.6(2) . 2_675 ?
O15 Ru4 N6 85.3(3) . . ?
O16 Ru4 Ru4 90.54(17) 2_675 2_675 ?
O16 Ru4 O13 89.4(2) 2_675 . ?
O16 Ru4 N6 96.1(3) 2_675 . ?
N6 Ru4 Ru4 170.7(2) . 2_675 ?
C16 O1 Ru1 119.3(6) . 2_756 ?
C16 O2 Ru1 118.9(6) . . ?
C1 O3 Ru1 118.6(5) . 2_756 ?
C1 O4 Ru1 120.1(5) . . ?
C61 O5 Ru2 120.6(6) . . ?
C61 O6 Ru3 118.5(5) . . ?
C30 O7 Ru2 119.7(6) . . ?
C30 O8 Ru3 117.2(6) . . ?
C31 O9 Ru2 117.8(6) . . ?
C31 O10 Ru3 120.0(6) . . ?
C012 O11 Ru2 118.0(6) . . ?
C012 O12 Ru3 120.4(6) . . ?
C59 O13 Ru4 118.4(6) . . ?
C59 O14 Ru4 121.2(5) . 2_675 ?
C45 O15 Ru4 120.6(5) . . ?
C45 O16 Ru4 117.7(5) . 2_675 ?
N2 N1 Ru1 120.7(6) . . ?
N3 N2 N1 177.6(9) . . ?
N2 N3 Ru2 115.8(6) . . ?
N5 N4 Ru3 115.5(6) . . ?
N4 N5 N6 178.3(9) . . ?
N5 N6 Ru4 115.0(6) . . ?
O3 C1 O4 122.8(8) . . ?
O3 C1 C2 118.7(8) . . ?
O4 C1 C2 118.5(7) . . ?
H01A C01K H01B 107.6 . . ?
C54 C01K H01A 108.7 . . ?
C54 C01K H01B 108.7 . . ?
C54 C01K C56 114.1(7) . . ?
C56 C01K H01A 108.7 . . ?
C56 C01K H01B 108.7 . . ?
H01C C01R H01D 107.6 . . ?
C38 C01R H01C 108.6 . . ?
C38 C01R H01D 108.6 . . ?
C38 C01R C42 114.5(9) . . ?
C42 C01R H01C 108.6 . . ?
C42 C01R H01D 108.6 . . ?
H01E C01S H01F 107.5 . . ?
C18 C01S H01E 108.5 . . ?
C18 C01S H01F 108.5 . . ?
C21 C01S H01E 108.5 . . ?
C21 C01S H01F 108.5 . . ?
C21 C01S C18 115.0(8) . . ?
C1 C2 C4 106.1(7) . . ?
C1 C2 C5 108.3(7) . . ?
C3 C2 C1 110.8(7) . . ?
C3 C2 C4 109.9(8) . . ?
C3 C2 C5 111.8(8) . . ?
C4 C2 C5 109.9(8) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 108.6 . . ?
C2 C5 H5B 108.6 . . ?
H5A C5 H5B 107.6 . . ?
C6 C5 C2 114.7(7) . . ?
C6 C5 H5A 108.6 . . ?
C6 C5 H5B 108.6 . . ?
C7 C6 C5 120.3(9) . . ?
C11 C6 C5 121.6(9) . . ?
C11 C6 C7 118.1(9) . . ?
C6 C7 H7 119.0 . . ?
C8 C7 C6 122.1(9) . . ?
C8 C7 H7 119.0 . . ?
C7 C8 C9 118.3(9) . . ?
C7 C8 C12 120.7(9) . . ?
C9 C8 C12 120.9(9) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.3(10) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.7(10) . . ?
C11 C10 H10 119.6 . . ?
C6 C11 H11 119.9 . . ?
C10 C11 C6 120.2(10) . . ?
C10 C11 H11 119.9 . . ?
O11 C012 O12 123.0(9) . . ?
O11 C012 C42 119.3(8) . . ?
O12 C012 C42 117.6(8) . . ?
C8 C12 H12A 108.4 . . ?
C8 C12 H12B 108.4 . . ?
C8 C12 C13 115.6(8) . . ?
H12A C12 H12B 107.4 . . ?
C13 C12 H12A 108.4 . . ?
C13 C12 H12B 108.4 . . ?
C12 C13 C14 109.4(8) . . ?
C15 C13 C12 111.3(8) . . ?
C15 C13 C14 111.1(9) . . ?
C15 C13 C16 109.3(8) . . ?
C16 C13 C12 109.2(8) . . ?
C16 C13 C14 106.4(8) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O1 C16 C13 117.2(8) . . ?
O2 C16 O1 123.3(8) . . ?
O2 C16 C13 119.5(8) . . ?
C01S C18 C19 109.5(8) . . ?
C20 C18 C01S 110.9(8) . . ?
C20 C18 C19 110.6(8) . . ?
C61 C18 C01S 107.6(8) . . ?
C61 C18 C19 106.5(8) . . ?
C61 C18 C20 111.6(8) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C01S 123.5(9) . . ?
C26 C21 C01S 119.2(9) . . ?
C26 C21 C22 117.3(9) . . ?
C21 C22 H22 119.5 . . ?
C23 C22 C21 121.1(9) . . ?
C23 C22 H22 119.5 . . ?
C22 C23 H23 119.9 . . ?
C24 C23 C22 120.1(10) . . ?
C24 C23 H23 119.9 . . ?
C23 C24 H24 119.9 . . ?
C23 C24 C25 120.2(10) . . ?
C25 C24 H24 119.9 . . ?
C24 C25 C27 121.3(9) . . ?
C26 C25 C24 119.1(9) . . ?
C26 C25 C27 119.4(9) . . ?
C21 C26 H26 119.0 . . ?
C25 C26 C21 122.0(9) . . ?
C25 C26 H26 119.0 . . ?
C25 C27 H27A 108.7 . . ?
C25 C27 H27B 108.7 . . ?
C25 C27 C28 114.2(8) . . ?
H27A C27 H27B 107.6 . . ?
C28 C27 H27A 108.7 . . ?
C28 C27 H27B 108.7 . . ?
C27 C28 C29 111.0(8) . . ?
C30 C28 C27 109.2(8) . . ?
C30 C28 C29 110.4(8) . . ?
C30 C28 C60 105.9(8) . . ?
C60 C28 C27 108.7(8) . . ?
C60 C28 C29 111.5(8) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O7 C30 C28 116.1(8) . . ?
O8 C30 O7 124.4(9) . . ?
O8 C30 C28 119.5(8) . . ?
O9 C31 O10 123.7(8) . . ?
O9 C31 C32 119.4(8) . . ?
O10 C31 C32 116.9(8) . . ?
C31 C32 C34 110.3(8) . . ?
C31 C32 C35 108.8(8) . . ?
C33 C32 C31 107.7(8) . . ?
C33 C32 C34 110.0(10) . . ?
C33 C32 C35 109.7(8) . . ?
C34 C32 C35 110.3(9) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 H35A 108.4 . . ?
C32 C35 H35B 108.4 . . ?
H35A C35 H35B 107.5 . . ?
C36 C35 C32 115.5(8) . . ?
C36 C35 H35A 108.4 . . ?
C36 C35 H35B 108.4 . . ?
C37 C36 C35 119.6(9) . . ?
C37 C36 C41 117.1(11) . . ?
C41 C36 C35 123.1(11) . . ?
C36 C37 H37 118.8 . . ?
C38 C37 C36 122.5(10) . . ?
C38 C37 H37 118.8 . . ?
C37 C38 C01R 118.9(9) . . ?
C39 C38 C01R 122.5(11) . . ?
C39 C38 C37 118.5(11) . . ?
C38 C39 H39 119.8 . . ?
C38 C39 C40 120.4(12) . . ?
C40 C39 H39 119.8 . . ?
C39 C40 H40 119.4 . . ?
C41 C40 C39 121.2(11) . . ?
C41 C40 H40 119.4 . . ?
C36 C41 H41 119.9 . . ?
C40 C41 C36 120.2(12) . . ?
C40 C41 H41 119.9 . . ?
C01R C42 C43 112.1(8) . . ?
C01R C42 C44 108.1(9) . . ?
C012 C42 C01R 109.8(8) . . ?
C012 C42 C43 110.1(8) . . ?
C012 C42 C44 105.7(8) . . ?
C43 C42 C44 110.8(9) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O15 C45 O16 123.1(7) . . ?
O15 C45 C46 117.8(7) . . ?
O16 C45 C46 119.1(7) . . ?
C45 C46 C48 107.1(7) . . ?
C45 C46 C49 109.1(7) . . ?
C47 C46 C45 110.7(7) . . ?
C47 C46 C48 110.5(7) . . ?
C47 C46 C49 110.8(8) . . ?
C48 C46 C49 108.6(7) . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C46 C49 H49A 108.8 . . ?
C46 C49 H49B 108.8 . . ?
H49A C49 H49B 107.7 . . ?
C50 C49 C46 113.8(7) . . ?
C50 C49 H49A 108.8 . . ?
C50 C49 H49B 108.8 . . ?
C51 C50 C49 122.5(8) . . ?
C51 C50 C55 118.3(8) . . ?
C55 C50 C49 119.2(8) . . ?
C50 C51 H51 119.4 . . ?
C52 C51 C50 121.2(9) . . ?
C52 C51 H51 119.4 . . ?
C51 C52 H52 120.0 . . ?
C51 C52 C53 119.9(9) . . ?
C53 C52 H52 120.0 . . ?
C52 C53 H53 119.7 . . ?
C54 C53 C52 120.7(9) . . ?
C54 C53 H53 119.7 . . ?
C53 C54 C01K 122.9(8) . . ?
C53 C54 C55 118.2(8) . . ?
C55 C54 C01K 118.9(8) . . ?
C50 C55 H55 119.2 . . ?
C54 C55 C50 121.6(8) . . ?
C54 C55 H55 119.2 . . ?
C01K C56 C58 109.7(7) . . ?
C57 C56 C01K 111.3(8) . . ?
C57 C56 C58 109.5(8) . . ?
C59 C56 C01K 109.7(7) . . ?
C59 C56 C57 109.3(8) . . ?
C59 C56 C58 107.3(7) . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C56 C58 H58A 109.5 . . ?
C56 C58 H58B 109.5 . . ?
C56 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
O13 C59 C56 117.6(8) . . ?
O14 C59 O13 122.0(8) . . ?
O14 C59 C56 120.3(8) . . ?
C28 C60 H60A 109.5 . . ?
C28 C60 H60B 109.5 . . ?
C28 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O5 C61 C18 116.2(8) . . ?
O6 C61 O5 122.4(8) . . ?
O6 C61 C18 121.4(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 O1 C16 O2 0.6(11) 2_756 . . . ?
Ru1 O1 C16 C13 179.8(6) 2_756 . . . ?
Ru1 O2 C16 O1 0.2(11) . . . . ?
Ru1 O2 C16 C13 -178.9(6) . . . . ?
Ru1 O3 C1 O4 -2.7(11) 2_756 . . . ?
Ru1 O3 C1 C2 179.5(6) 2_756 . . . ?
Ru1 O4 C1 O3 1.7(11) . . . . ?
Ru1 O4 C1 C2 179.5(6) . . . . ?
Ru2 O5 C61 O6 0.0(12) . . . . ?
Ru2 O5 C61 C18 -177.9(6) . . . . ?
Ru2 O7 C30 O8 0.2(11) . . . . ?
Ru2 O7 C30 C28 176.3(6) . . . . ?
Ru2 O9 C31 O10 1.9(12) . . . . ?
Ru2 O9 C31 C32 -177.8(7) . . . . ?
Ru2 O11 C012 O12 0.1(11) . . . . ?
Ru2 O11 C012 C42 177.0(6) . . . . ?
Ru3 O6 C61 O5 -0.2(11) . . . . ?
Ru3 O6 C61 C18 177.6(6) . . . . ?
Ru3 O8 C30 O7 0.6(11) . . . . ?
Ru3 O8 C30 C28 -175.3(6) . . . . ?
Ru3 O10 C31 O9 -0.6(13) . . . . ?
Ru3 O10 C31 C32 179.0(6) . . . . ?
Ru3 O12 C012 O11 -0.5(12) . . . . ?
Ru3 O12 C012 C42 -177.5(6) . . . . ?
Ru4 O13 C59 O14 2.6(10) . . . . ?
Ru4 O13 C59 C56 178.9(5) . . . . ?
Ru4 O14 C59 O13 -2.0(11) 2_675 . . . ?
Ru4 O14 C59 C56 -178.2(6) 2_675 . . . ?
Ru4 O15 C45 O16 -2.3(11) . . . . ?
Ru4 O15 C45 C46 -179.4(5) . . . . ?
Ru4 O16 C45 O15 2.2(11) 2_675 . . . ?
Ru4 O16 C45 C46 179.3(6) 2_675 . . . ?
O3 C1 C2 C3 -175.7(8) . . . . ?
O3 C1 C2 C4 65.1(10) . . . . ?
O3 C1 C2 C5 -52.8(10) . . . . ?
O4 C1 C2 C3 6.4(11) . . . . ?
O4 C1 C2 C4 -112.9(9) . . . . ?
O4 C1 C2 C5 129.2(8) . . . . ?
O9 C31 C32 C33 121.0(10) . . . . ?
O9 C31 C32 C34 1.0(14) . . . . ?
O9 C31 C32 C35 -120.1(10) . . . . ?
O10 C31 C32 C33 -58.6(12) . . . . ?
O10 C31 C32 C34 -178.6(9) . . . . ?
O10 C31 C32 C35 60.2(11) . . . . ?
O11 C012 C42 C01R 121.9(9) . . . . ?
O11 C012 C42 C43 -2.0(12) . . . . ?
O11 C012 C42 C44 -121.7(9) . . . . ?
O12 C012 C42 C01R -61.0(11) . . . . ?
O12 C012 C42 C43 175.1(8) . . . . ?
O12 C012 C42 C44 55.4(11) . . . . ?
O15 C45 C46 C47 -177.0(8) . . . . ?
O15 C45 C46 C48 62.5(10) . . . . ?
O15 C45 C46 C49 -54.8(10) . . . . ?
O16 C45 C46 C47 5.8(11) . . . . ?
O16 C45 C46 C48 -114.7(9) . . . . ?
O16 C45 C46 C49 128.0(8) . . . . ?
C1 C2 C5 C6 -60.3(10) . . . . ?
C01K C54 C55 C50 173.9(8) . . . . ?
C01K C56 C59 O13 55.4(10) . . . . ?
C01K C56 C59 O14 -128.2(8) . . . . ?
C01R C38 C39 C40 176.0(10) . . . . ?
C01S C18 C61 O5 -61.4(11) . . . . ?
C01S C18 C61 O6 120.7(9) . . . . ?
C01S C21 C22 C23 176.8(9) . . . . ?
C01S C21 C26 C25 -175.4(8) . . . . ?
C2 C5 C6 C7 86.8(11) . . . . ?
C2 C5 C6 C11 -91.8(11) . . . . ?
C3 C2 C5 C6 62.0(10) . . . . ?
C4 C2 C5 C6 -175.8(8) . . . . ?
C5 C6 C7 C8 -174.8(8) . . . . ?
C5 C6 C11 C10 178.2(9) . . . . ?
C6 C7 C8 C9 -5.0(14) . . . . ?
C6 C7 C8 C12 173.8(9) . . . . ?
C7 C6 C11 C10 -0.3(15) . . . . ?
C7 C8 C9 C10 2.9(15) . . . . ?
C7 C8 C12 C13 -85.4(11) . . . . ?
C8 C9 C10 C11 0.4(17) . . . . ?
C8 C12 C13 C14 173.9(9) . . . . ?
C8 C12 C13 C15 -62.9(11) . . . . ?
C8 C12 C13 C16 57.8(11) . . . . ?
C9 C8 C12 C13 93.3(11) . . . . ?
C9 C10 C11 C6 -1.7(17) . . . . ?
C11 C6 C7 C8 3.8(14) . . . . ?
C12 C8 C9 C10 -175.9(10) . . . . ?
C12 C13 C16 O1 52.5(11) . . . . ?
C12 C13 C16 O2 -128.3(9) . . . . ?
C14 C13 C16 O1 -65.5(10) . . . . ?
C14 C13 C16 O2 113.7(9) . . . . ?
C15 C13 C16 O1 174.4(8) . . . . ?
C15 C13 C16 O2 -6.4(12) . . . . ?
C18 C01S C21 C22 -85.3(11) . . . . ?
C18 C01S C21 C26 93.2(11) . . . . ?
C19 C18 C61 O5 55.9(11) . . . . ?
C19 C18 C61 O6 -122.0(9) . . . . ?
C20 C18 C61 O5 176.6(8) . . . . ?
C20 C18 C61 O6 -1.2(13) . . . . ?
C21 C01S C18 C19 -169.7(8) . . . . ?
C21 C01S C18 C20 68.0(10) . . . . ?
C21 C01S C18 C61 -54.4(11) . . . . ?
C21 C22 C23 C24 -1.8(15) . . . . ?
C22 C21 C26 C25 3.2(13) . . . . ?
C22 C23 C24 C25 4.1(15) . . . . ?
C23 C24 C25 C26 -2.7(14) . . . . ?
C23 C24 C25 C27 -178.9(9) . . . . ?
C24 C25 C26 C21 -1.1(14) . . . . ?
C24 C25 C27 C28 86.8(11) . . . . ?
C25 C27 C28 C29 -71.0(11) . . . . ?
C25 C27 C28 C30 51.0(11) . . . . ?
C25 C27 C28 C60 166.0(8) . . . . ?
C26 C21 C22 C23 -1.8(14) . . . . ?
C26 C25 C27 C28 -89.4(11) . . . . ?
C27 C25 C26 C21 175.3(8) . . . . ?
C27 C28 C30 O7 63.0(10) . . . . ?
C27 C28 C30 O8 -120.7(9) . . . . ?
C29 C28 C30 O7 -174.7(8) . . . . ?
C29 C28 C30 O8 1.6(12) . . . . ?
C31 C32 C35 C36 55.1(11) . . . . ?
C32 C35 C36 C37 -89.5(12) . . . . ?
C32 C35 C36 C41 87.1(12) . . . . ?
C33 C32 C35 C36 172.7(9) . . . . ?
C34 C32 C35 C36 -66.0(11) . . . . ?
C35 C36 C37 C38 175.6(9) . . . . ?
C35 C36 C41 C40 -176.4(10) . . . . ?
C36 C37 C38 C01R -175.9(9) . . . . ?
C36 C37 C38 C39 1.9(15) . . . . ?
C37 C36 C41 C40 0.3(16) . . . . ?
C37 C38 C39 C40 -1.7(16) . . . . ?
C38 C01R C42 C012 -54.1(11) . . . . ?
C38 C01R C42 C43 68.6(12) . . . . ?
C38 C01R C42 C44 -169.0(9) . . . . ?
C38 C39 C40 C41 0.9(18) . . . . ?
C39 C40 C41 C36 -0.1(18) . . . . ?
C41 C36 C37 C38 -1.2(15) . . . . ?
C42 C01R C38 C37 88.4(12) . . . . ?
C42 C01R C38 C39 -89.2(12) . . . . ?
C45 C46 C49 C50 -58.5(10) . . . . ?
C46 C49 C50 C51 -91.1(10) . . . . ?
C46 C49 C50 C55 89.5(10) . . . . ?
C47 C46 C49 C50 63.6(9) . . . . ?
C48 C46 C49 C50 -174.8(7) . . . . ?
C49 C50 C51 C52 178.7(9) . . . . ?
C49 C50 C55 C54 -177.5(8) . . . . ?
C50 C51 C52 C53 0.9(15) . . . . ?
C51 C50 C55 C54 3.1(13) . . . . ?
C51 C52 C53 C54 -1.1(14) . . . . ?
C52 C53 C54 C01K -174.8(8) . . . . ?
C52 C53 C54 C55 2.1(13) . . . . ?
C53 C54 C55 C50 -3.2(13) . . . . ?
C54 C01K C56 C57 -62.5(10) . . . . ?
C54 C01K C56 C58 176.1(8) . . . . ?
C54 C01K C56 C59 58.5(10) . . . . ?
C55 C50 C51 C52 -1.9(14) . . . . ?
C56 C01K C54 C53 91.3(10) . . . . ?
C56 C01K C54 C55 -85.6(10) . . . . ?
C57 C56 C59 O13 177.7(7) . . . . ?
C57 C56 C59 O14 -6.0(11) . . . . ?
C58 C56 C59 O13 -63.7(10) . . . . ?
C58 C56 C59 O14 112.7(9) . . . . ?
C60 C28 C30 O7 -53.8(10) . . . . ?
C60 C28 C30 O8 122.5(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
