# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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_hhbdw169_0m
_database_code_depnum_ccdc_archive 'CCDC 2156733'
loop_
_audit_author_name
_audit_author_address
'Habib h Baydoun'
;Wayne State University
United States of America
;
_audit_update_record             
;
2022-03-07 deposited with the CCDC.	2022-05-12 downloaded from the CCDC.
;
_audit_creation_date             2022-03-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C50 H56.69 Cl N4 O2 Ru, F6 P, C7 H8'
_chemical_formula_sum            'C60 H67 Cl F6 N4 O2 P Ru'
_chemical_formula_weight         1157.66
_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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'

_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                   12.8026(6)
_cell_length_b                   15.0623(8)
_cell_length_c                   19.8264(10)
_cell_angle_alpha                68.182(3)
_cell_angle_beta                 88.474(3)
_cell_angle_gamma                66.262(3)
_cell_volume                     3214.9(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9821
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.60
_cell_measurement_theta_min      2.21
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.368
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6365
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0776 before and 0.0632 after correction.
The Ratio of minimum to maximum transmission is 0.8531.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark violet'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.196
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1202
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.11
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0695
_diffrn_reflns_av_unetI/netI     0.0622
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            113112
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.130
_diffrn_reflns_theta_min         1.811
_diffrn_ambient_temperature      100.1
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.990
_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                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12585
_reflns_number_total             17146
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.710
_refine_diff_density_min         -0.867
_refine_diff_density_rms         0.106
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     687
_refine_ls_number_reflns         17146
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0831
_refine_ls_R_factor_gt           0.0560
_refine_ls_restrained_S_all      1.023
_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)+(0.0773P)²+5.1638P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1420
_refine_ls_wR_factor_ref         0.1578
_refine_special_details          SQUEEZE
_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. Others
 Sof(H10A)=Sof(H10B)=Sof(C17B)=Sof(H17A)=Sof(H17B)=Sof(H19A)=Sof(H19B)=
 Sof(H19C)=1-FVAR(1)
 Sof(C17A)=Sof(H17C)=Sof(H17D)=FVAR(1)
 Sof(C19B)=1-FVAR(2)
 Sof(C19A)=Sof(H19D)=Sof(H19E)=Sof(H19F)=FVAR(2)
 Fixed Sof: C18(0.5) H18A(0.5) H18B(0.5) H18C(0.5) C18B(0.5) H18D(0.5)
 H18E(0.5) H18F(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B), C12(H12A,H12B), C13(H13A,H13B), C14(H14A,H14B), C15(H15A,
 H15B), C16(H16A,H16B), C10(H10A,H10B), C17B(H17A,H17B), C17A(H17C,H17D)
3.b Me refined with riding coordinates:
 C19B(H19A,H19B,H19C)
3.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C5(H5), C6(H6), C8(H8), C9(H9), C21(H21), C24(H24), C25(H25),
 C26(H26), C27(H27), C29(H29), C30(H30), C31(H31), C32(H32), C35(H35), C36(H36),
  C37(H37), C38(H38), C39(H39), C47(H47), C53(H53), C56(H56), C57(H57),
 C58(H58), C60(H60), C61(H61)
3.d Idealised Me refined as rotating group:
 C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C46(H46A,H46B,H46C), C50(H50A,H50B,
 H50C), C51(H51A,H51B,H51C), C54(H54A,H54B,H54C), C18(H18A,H18B,H18C),
 C18B(H18D,H18E,H18F), C19A(H19D,H19E,H19F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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
Ru2 Ru 0.22658(2) 1.03435(2) 0.39489(2) 0.01592(7) Uani 1 1 d . . . . .
O8 O 0.06065(17) 1.14372(16) 0.35590(11) 0.0186(4) Uani 1 1 d . . . . .
P2 P 0.47360(9) 0.56648(8) 0.34409(6) 0.0374(2) Uani 1 1 d . . . . .
F7 F 0.4595(3) 0.5271(2) 0.42900(16) 0.0618(7) Uani 1 1 d . . . . .
F2 F 0.6089(2) 0.5191(2) 0.3661(2) 0.0829(11) Uani 1 1 d . . . . .
F3 F 0.3387(2) 0.6132(3) 0.3262(2) 0.0882(12) Uani 1 1 d . . . . .
F4 F 0.4906(4) 0.6022(3) 0.26240(19) 0.0980(13) Uani 1 1 d . . . . .
F5 F 0.4871(3) 0.4546(2) 0.34800(18) 0.0698(9) Uani 1 1 d . . . . .
F6 F 0.4628(3) 0.6751(2) 0.34438(19) 0.0672(8) Uani 1 1 d . . . . .
N1 N 0.3848(2) 0.9218(2) 0.42827(13) 0.0176(5) Uani 1 1 d . . . . .
N2 N 0.3232(2) 1.12050(19) 0.38070(13) 0.0169(5) Uani 1 1 d . . . . .
N3 N 0.1931(2) 0.90211(19) 0.43191(13) 0.0179(5) Uani 1 1 d . . . . .
C1 C 0.3999(2) 0.8202(2) 0.45351(15) 0.0173(6) Uani 1 1 d . . . . .
C2 C 0.5092(2) 0.7391(2) 0.47706(16) 0.0189(6) Uani 1 1 d . . . . .
H2 H 0.519180 0.667958 0.493425 0.023 Uiso 1 1 calc R . . . .
C3 C 0.6059(2) 0.7613(2) 0.47691(16) 0.0180(6) Uani 1 1 d . . . . .
C4 C 0.7215(2) 0.6739(2) 0.50964(16) 0.0193(6) Uani 1 1 d . . . . .
C5 C 0.8215(3) 0.6898(2) 0.50632(18) 0.0233(6) Uani 1 1 d . . . . .
H5 H 0.816607 0.758306 0.478138 0.028 Uiso 1 1 calc R . . . .
C6 C 0.9284(3) 0.6092(2) 0.54266(19) 0.0246(7) Uani 1 1 d . . . . .
H6 H 0.994753 0.623159 0.539722 0.030 Uiso 1 1 calc R . . . .
C7 C 0.9376(3) 0.5086(2) 0.58315(17) 0.0232(6) Uani 1 1 d . . . . .
C8 C 0.8390(3) 0.4897(3) 0.5862(2) 0.0336(8) Uani 1 1 d . . . . .
H8 H 0.844679 0.420547 0.613097 0.040 Uiso 1 1 calc R . . . .
C9 C 0.7336(3) 0.5707(3) 0.5505(2) 0.0342(8) Uani 1 1 d . . . . .
H9 H 0.667403 0.556535 0.553555 0.041 Uiso 1 1 calc R . . . .
O10 O 1.03644(19) 0.42358(18) 0.62210(13) 0.0306(5) Uani 1 1 d . . . . .
C11 C 1.1395(3) 0.4377(3) 0.6273(2) 0.0306(7) Uani 1 1 d . . . . .
H11A H 1.125900 0.493605 0.645742 0.037 Uiso 1 1 calc R . . . .
H11B H 1.164884 0.458521 0.578448 0.037 Uiso 1 1 calc R . . . .
C12 C 1.2302(3) 0.3333(3) 0.6800(2) 0.0442(10) Uani 1 1 d . . . . .
H12A H 1.300251 0.342953 0.687807 0.053 Uiso 1 1 calc R . . . .
H12B H 1.250608 0.282071 0.656447 0.053 Uiso 1 1 calc R . . . .
C13 C 1.1970(4) 0.2848(3) 0.7551(2) 0.0515(11) Uani 1 1 d . . . . .
H13A H 1.121833 0.283155 0.747346 0.062 Uiso 1 1 calc R . . . .
H13B H 1.254920 0.210892 0.779919 0.062 Uiso 1 1 calc R . . . .
C14 C 1.1880(4) 0.3397(4) 0.8046(3) 0.0629(14) Uani 1 1 d . . . . .
H14A H 1.137767 0.415768 0.777919 0.075 Uiso 1 1 calc R . . . .
H14B H 1.150903 0.311678 0.846732 0.075 Uiso 1 1 calc R . . . .
C15 C 1.2993(4) 0.3279(4) 0.8323(3) 0.0576(13) Uani 1 1 d . . . . .
H15A H 1.330993 0.366226 0.791297 0.069 Uiso 1 1 calc R . . . .
H15B H 1.353783 0.252320 0.852319 0.069 Uiso 1 1 calc R . . . .
C16 C 1.2878(7) 0.3729(6) 0.8953(3) 0.092(2) Uani 1 1 d . . . . .
H16A H 1.234279 0.448761 0.873981 0.110 Uiso 1 1 calc R . . . .
H16B H 1.252023 0.336538 0.934425 0.110 Uiso 1 1 calc R . . . .
C21 C 0.5864(2) 0.8674(2) 0.44995(15) 0.0177(6) Uani 1 1 d . . . . .
H21 H 0.649572 0.885589 0.448676 0.021 Uiso 1 1 calc R . . . .
C22 C 0.4755(2) 0.9460(2) 0.42512(15) 0.0162(5) Uani 1 1 d . . . . .
C23 C 0.4395(2) 1.0611(2) 0.39613(14) 0.0155(5) Uani 1 1 d . . . . .
C24 C 0.2820(3) 1.2264(2) 0.35481(16) 0.0195(6) Uani 1 1 d . . . . .
H24 H 0.200876 1.267564 0.344831 0.023 Uiso 1 1 calc R . . . .
C25 C 0.3540(3) 1.2770(2) 0.34238(17) 0.0235(6) Uani 1 1 d . . . . .
H25 H 0.322783 1.351797 0.323867 0.028 Uiso 1 1 calc R . . . .
C26 C 0.4721(3) 1.2177(2) 0.35710(17) 0.0225(6) Uani 1 1 d . . . . .
H26 H 0.522651 1.251479 0.348416 0.027 Uiso 1 1 calc R . . . .
C27 C 0.5161(2) 1.1084(2) 0.38466(16) 0.0190(6) Uani 1 1 d . . . . .
H27 H 0.597052 1.066452 0.395542 0.023 Uiso 1 1 calc R . . . .
C28 C 0.2905(2) 0.8084(2) 0.45518(16) 0.0176(6) Uani 1 1 d . . . . .
C29 C 0.0896(3) 0.8987(3) 0.43718(17) 0.0224(6) Uani 1 1 d . . . . .
H29 H 0.021964 0.963141 0.422533 0.027 Uiso 1 1 calc R . . . .
C30 C 0.0784(3) 0.8048(3) 0.4631(2) 0.0279(7) Uani 1 1 d . . . . .
H30 H 0.004271 0.804750 0.466496 0.033 Uiso 1 1 calc R . . . .
C31 C 0.1768(3) 0.7104(3) 0.4843(2) 0.0296(7) Uani 1 1 d . . . . .
H31 H 0.170751 0.645015 0.501209 0.035 Uiso 1 1 calc R . . . .
C32 C 0.2843(3) 0.7127(2) 0.48051(18) 0.0234(6) Uani 1 1 d . . . . .
H32 H 0.352620 0.648903 0.495243 0.028 Uiso 1 1 calc R . . . .
N33 N 0.2195(2) 1.06265(19) 0.28934(13) 0.0173(5) Uani 1 1 d . . . . .
C34 C 0.3209(2) 1.0280(2) 0.25585(16) 0.0183(6) Uani 1 1 d . . . . .
C35 C 0.3777(3) 0.9230(3) 0.26743(18) 0.0260(7) Uani 1 1 d . . . . .
H35 H 0.348762 0.873848 0.295779 0.031 Uiso 1 1 calc R . . . .
C36 C 0.4780(3) 0.8903(3) 0.2370(2) 0.0427(10) Uani 1 1 d . . . . .
H36 H 0.518378 0.818038 0.244702 0.051 Uiso 1 1 calc R . . . .
C37 C 0.5194(4) 0.9626(4) 0.1954(3) 0.0529(12) Uani 1 1 d . . . . .
H37 H 0.587408 0.939801 0.174094 0.063 Uiso 1 1 calc R . . . .
C38 C 0.4630(3) 1.0665(4) 0.1848(2) 0.0433(10) Uani 1 1 d . . . . .
H38 H 0.492281 1.115509 0.156584 0.052 Uiso 1 1 calc R . . . .
C39 C 0.3630(3) 1.1002(3) 0.21518(19) 0.0275(7) Uani 1 1 d . . . . .
H39 H 0.323625 1.172291 0.208175 0.033 Uiso 1 1 calc R . . . .
C40 C 0.1185(2) 1.1336(2) 0.24626(16) 0.0172(6) Uani 1 1 d . . . . .
C41 C 0.0296(2) 1.1742(2) 0.28718(15) 0.0168(5) Uani 1 1 d . . . . .
C42 C -0.0854(2) 1.2478(2) 0.24958(16) 0.0194(6) Uani 1 1 d . . . . .
C43 C -0.1821(3) 1.2878(3) 0.29198(17) 0.0234(6) Uani 1 1 d . . . . .
C44 C -0.1548(3) 1.3571(3) 0.3228(2) 0.0342(8) Uani 1 1 d . . . . .
H44A H -0.081530 1.314798 0.356011 0.051 Uiso 1 1 calc GR . . . .
H44B H -0.216589 1.384616 0.349694 0.051 Uiso 1 1 calc GR . . . .
H44C H -0.148979 1.416066 0.282211 0.051 Uiso 1 1 calc GR . . . .
C45 C -0.1931(3) 1.1960(3) 0.35504(17) 0.0253(7) Uani 1 1 d . . . . .
H45A H -0.205078 1.149378 0.335407 0.038 Uiso 1 1 calc GR . . . .
H45B H -0.258897 1.223882 0.379265 0.038 Uiso 1 1 calc GR . . . .
H45C H -0.122385 1.156063 0.390671 0.038 Uiso 1 1 calc GR . . . .
C46 C -0.2991(3) 1.3552(3) 0.24242(19) 0.0324(8) Uani 1 1 d . . . . .
H46A H -0.297223 1.418707 0.204689 0.049 Uiso 1 1 calc GR . . . .
H46B H -0.359696 1.375663 0.272059 0.049 Uiso 1 1 calc GR . . . .
H46C H -0.315057 1.314312 0.218845 0.049 Uiso 1 1 calc GR . . . .
C47 C -0.0992(3) 1.2802(2) 0.17516(17) 0.0233(6) Uani 1 1 d . . . . .
H47 H -0.173435 1.330453 0.148871 0.028 Uiso 1 1 calc R . . . .
C48 C -0.0102(3) 1.2442(3) 0.13326(17) 0.0269(7) Uani 1 1 d . . . . .
C49 C -0.0397(3) 1.2918(4) 0.04945(19) 0.0459(11) Uani 1 1 d . . . . .
C50 C -0.1464(5) 1.2813(5) 0.0278(2) 0.0736(17) Uani 1 1 d . . . . .
H50A H -0.134455 1.207389 0.051492 0.110 Uiso 1 1 calc GR . . . .
H50B H -0.159708 1.304360 -0.025608 0.110 Uiso 1 1 calc GR . . . .
H50C H -0.213579 1.325316 0.043715 0.110 Uiso 1 1 calc GR . . . .
C51 C -0.0671(7) 1.4062(6) 0.0222(3) 0.111(3) Uani 1 1 d . . . . .
H51A H -0.123969 1.438690 0.049859 0.166 Uiso 1 1 calc GR . . . .
H51B H -0.098700 1.440556 -0.030029 0.166 Uiso 1 1 calc GR . . . .
H51C H 0.003369 1.414737 0.028966 0.166 Uiso 1 1 calc GR . . . .
C53 C 0.0970(3) 1.1697(3) 0.16913(16) 0.0235(6) Uani 1 1 d . . . . .
H53 H 0.156022 1.142703 0.142647 0.028 Uiso 1 1 calc R . . . .
C54 C 0.0908(6) 0.8347(6) 0.2731(3) 0.092(2) Uani 1 1 d . . . . .
H54A H 0.131748 0.872521 0.240796 0.138 Uiso 1 1 calc GR . . . .
H54B H 0.094911 0.777202 0.259533 0.138 Uiso 1 1 calc GR . . . .
H54C H 0.126550 0.805574 0.324135 0.138 Uiso 1 1 calc GR . . . .
C55 C -0.0274(5) 0.9061(5) 0.2653(3) 0.0654(14) Uani 1 1 d . . . . .
C56 C -0.0702(5) 1.0088(4) 0.2190(3) 0.0513(11) Uani 1 1 d . . . . .
H56 H -0.021189 1.038297 0.192313 0.062 Uiso 1 1 calc R . . . .
C57 C -0.1935(6) 1.0730(6) 0.2110(4) 0.0835(19) Uani 1 1 d . . . . .
H57 H -0.224682 1.143164 0.174795 0.100 Uiso 1 1 calc R . . . .
C58 C -0.2622(5) 1.0406(6) 0.2499(4) 0.0777(18) Uani 1 1 d . . . . .
H58 H -0.341018 1.086158 0.246090 0.093 Uiso 1 1 calc R . . . .
C60 C -0.1019(6) 0.8673(5) 0.3046(3) 0.0729(17) Uani 1 1 d . . . . .
H60 H -0.073199 0.794358 0.335270 0.087 Uiso 1 1 calc R . . . .
C61 C -0.2132(7) 0.9302(6) 0.3003(3) 0.0838(19) Uani 1 1 d . . . . .
H61 H -0.260639 0.902340 0.330564 0.101 Uiso 1 1 calc R . . . .
Cl3 Cl 0.20402(6) 1.03745(6) 0.51403(4) 0.01841(14) Uani 1 1 d . . . . .
C18 C 0.0666(10) 1.2757(14) 0.0141(6) 0.094(6) Uani 0.5 1 d . . P A 1
H18A H 0.119911 1.289346 0.039124 0.142 Uiso 0.5 1 calc GR . P A 1
H18B H 0.046372 1.324422 -0.037660 0.142 Uiso 0.5 1 calc GR . P A 1
H18C H 0.103497 1.202868 0.017606 0.142 Uiso 0.5 1 calc GR . P A 1
C18B C 0.0517(10) 1.2157(9) 0.0146(5) 0.046(3) Uani 0.5 1 d . . P A 2
H18D H 0.129102 1.209180 0.026096 0.069 Uiso 0.5 1 calc GR . P A 2
H18E H 0.029938 1.246092 -0.038749 0.069 Uiso 0.5 1 calc GR . P A 2
H18F H 0.051385 1.145736 0.035510 0.069 Uiso 0.5 1 calc GR . P A 2
C10 C 1.3995(7) 0.3615(6) 0.9306(4) 0.097(2) Uani 1 1 d . . . . .
H10A H 1.447485 0.377917 0.892051 0.117 Uiso 0.504(14) 1 calc R . P B 2
H10B H 1.380885 0.413053 0.953690 0.117 Uiso 0.504(14) 1 calc R . P B 2
C17B C 1.4611(10) 0.2617(9) 0.9826(7) 0.081(5) Uani 0.504(14) 1 d . . P B 2
H17A H 1.483975 0.210364 0.959121 0.098 Uiso 0.504(14) 1 calc R . P B 2
H17B H 1.411870 0.243511 1.019833 0.098 Uiso 0.504(14) 1 calc R . P B 2
C19B C 1.5731(13) 0.2538(13) 1.0218(9) 0.129(8) Uani 0.61(2) 1 d . . P B 2
H19A H 1.615580 0.181924 1.058633 0.193 Uiso 0.504(14) 1 calc R . P B 2
H19B H 1.622492 0.270701 0.985090 0.193 Uiso 0.504(14) 1 calc R . P B 2
H19C H 1.550468 0.303812 1.045734 0.193 Uiso 0.504(14) 1 calc R . P B 2
C17A C 1.461(2) 0.3426(18) 1.0012(10) 0.135(10) Uani 0.496(14) 1 d . . P B 1
H17C H 1.399980 0.377479 1.026181 0.162 Uiso 0.496(14) 1 calc R . P B 1
H17D H 1.489435 0.265875 1.030532 0.162 Uiso 0.496(14) 1 calc R . P B 1
C19A C 1.5518(17) 0.366(3) 1.0134(14) 0.16(2) Uani 0.39(2) 1 d . . P B 1
H19D H 1.617528 0.301150 1.044222 0.234 Uiso 0.39(2) 1 calc GR . P B 1
H19E H 1.526886 0.415188 1.038181 0.234 Uiso 0.39(2) 1 calc GR . P B 1
H19F H 1.574676 0.398885 0.966255 0.234 Uiso 0.39(2) 1 calc GR . P B 1


_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
Ru2 O8 2.0365(19) . ?
Ru2 N1 1.972(2) . ?
Ru2 N2 2.073(3) . ?
Ru2 N3 2.068(3) . ?
Ru2 N33 1.971(2) . ?
Ru2 Cl3 2.3875(7) . ?
O8 C41 1.281(3) . ?
P2 F7 1.595(3) . ?
P2 F2 1.586(3) . ?
P2 F3 1.573(3) . ?
P2 F4 1.545(3) . ?
P2 F5 1.595(3) . ?
P2 F6 1.588(3) . ?
N1 C1 1.352(4) . ?
N1 C22 1.343(4) . ?
N2 C23 1.363(4) . ?
N2 C24 1.348(4) . ?
N3 C28 1.375(4) . ?
N3 C29 1.346(4) . ?
C1 C2 1.379(4) . ?
C1 C28 1.479(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.406(4) . ?
C3 C4 1.480(4) . ?
C3 C21 1.397(4) . ?
C4 C5 1.389(4) . ?
C4 C9 1.404(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.389(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.383(5) . ?
C7 C8 1.396(5) . ?
C7 O10 1.360(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.376(4) . ?
C9 H9 0.9500 . ?
O10 C11 1.431(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.513(5) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.528(6) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.477(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.459(7) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.606(9) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C10 1.526(9) . ?
C21 H21 0.9500 . ?
C21 C22 1.382(4) . ?
C22 C23 1.477(4) . ?
C23 C27 1.397(4) . ?
C24 H24 0.9500 . ?
C24 C25 1.380(5) . ?
C25 H25 0.9500 . ?
C25 C26 1.382(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.388(4) . ?
C27 H27 0.9500 . ?
C28 C32 1.375(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.380(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.389(5) . ?
C31 H31 0.9500 . ?
C31 C32 1.390(4) . ?
C32 H32 0.9500 . ?
N33 C34 1.436(4) . ?
N33 C40 1.347(4) . ?
C34 C35 1.377(4) . ?
C34 C39 1.386(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.387(5) . ?
C36 H36 0.9500 . ?
C36 C37 1.387(6) . ?
C37 H37 0.9500 . ?
C37 C38 1.366(6) . ?
C38 H38 0.9500 . ?
C38 C39 1.388(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.444(4) . ?
C40 C53 1.412(4) . ?
C41 C42 1.443(4) . ?
C42 C43 1.524(4) . ?
C42 C47 1.362(4) . ?
C43 C44 1.536(5) . ?
C43 C45 1.536(5) . ?
C43 C46 1.534(4) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47 0.9500 . ?
C47 C48 1.438(4) . ?
C48 C49 1.532(5) . ?
C48 C53 1.366(4) . ?
C49 C50 1.526(7) . ?
C49 C51 1.490(8) . ?
C49 C18 1.487(12) . ?
C49 C18B 1.620(11) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C53 H53 0.9500 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C54 C55 1.432(8) . ?
C55 C56 1.351(7) . ?
C55 C60 1.389(8) . ?
C56 H56 0.9500 . ?
C56 C57 1.457(9) . ?
C57 H57 0.9500 . ?
C57 C58 1.280(9) . ?
C58 H58 0.9500 . ?
C58 C61 1.455(10) . ?
C60 H60 0.9500 . ?
C60 C61 1.340(9) . ?
C61 H61 0.9500 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C18B H18D 0.9800 . ?
C18B H18E 0.9800 . ?
C18B H18F 0.9800 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C17B 1.371(12) . ?
C10 C17A 1.502(19) . ?
C17B H17A 0.9900 . ?
C17B H17B 0.9900 . ?
C17B C19B 1.590(14) . ?
C19B H19A 0.9800 . ?
C19B H19B 0.9800 . ?
C19B H19C 0.9800 . ?
C17A H17C 0.9900 . ?
C17A H17D 0.9900 . ?
C17A C19A 1.39(3) . ?
C19A H19D 0.9800 . ?
C19A H19E 0.9800 . ?
C19A H19F 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
O8 Ru2 N2 105.35(9) . . ?
O8 Ru2 N3 97.22(9) . . ?
O8 Ru2 Cl3 90.73(6) . . ?
N1 Ru2 O8 175.17(9) . . ?
N1 Ru2 N2 78.17(10) . . ?
N1 Ru2 N3 79.53(10) . . ?
N1 Ru2 Cl3 92.68(7) . . ?
N2 Ru2 Cl3 88.55(7) . . ?
N3 Ru2 N2 157.12(9) . . ?
N3 Ru2 Cl3 87.45(7) . . ?
N33 Ru2 O8 78.45(9) . . ?
N33 Ru2 N1 98.46(10) . . ?
N33 Ru2 N2 88.96(9) . . ?
N33 Ru2 N3 99.32(10) . . ?
N33 Ru2 Cl3 167.83(7) . . ?
C41 O8 Ru2 115.34(18) . . ?
F2 P2 F7 89.63(19) . . ?
F2 P2 F5 89.47(18) . . ?
F2 P2 F6 89.13(17) . . ?
F3 P2 F7 87.68(19) . . ?
F3 P2 F2 177.2(2) . . ?
F3 P2 F5 91.22(19) . . ?
F3 P2 F6 90.06(18) . . ?
F4 P2 F7 178.4(2) . . ?
F4 P2 F2 89.0(2) . . ?
F4 P2 F3 93.7(2) . . ?
F4 P2 F5 91.90(19) . . ?
F4 P2 F6 90.55(19) . . ?
F5 P2 F7 87.41(15) . . ?
F6 P2 F7 90.10(16) . . ?
F6 P2 F5 177.2(2) . . ?
C1 N1 Ru2 118.61(19) . . ?
C22 N1 Ru2 120.5(2) . . ?
C22 N1 C1 120.9(2) . . ?
C23 N2 Ru2 114.41(19) . . ?
C24 N2 Ru2 126.3(2) . . ?
C24 N2 C23 119.2(3) . . ?
C28 N3 Ru2 113.84(19) . . ?
C29 N3 Ru2 127.6(2) . . ?
C29 N3 C28 118.5(3) . . ?
N1 C1 C2 120.5(3) . . ?
N1 C1 C28 113.4(2) . . ?
C2 C1 C28 126.1(3) . . ?
C1 C2 H2 119.9 . . ?
C1 C2 C3 120.2(3) . . ?
C3 C2 H2 119.9 . . ?
C2 C3 C4 119.9(3) . . ?
C21 C3 C2 117.4(3) . . ?
C21 C3 C4 122.6(3) . . ?
C5 C4 C3 122.7(3) . . ?
C5 C4 C9 116.6(3) . . ?
C9 C4 C3 120.5(3) . . ?
C4 C5 H5 118.8 . . ?
C6 C5 C4 122.4(3) . . ?
C6 C5 H5 118.8 . . ?
C5 C6 H6 120.2 . . ?
C7 C6 C5 119.7(3) . . ?
C7 C6 H6 120.2 . . ?
C6 C7 C8 119.2(3) . . ?
O10 C7 C6 125.4(3) . . ?
O10 C7 C8 115.4(3) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 C7 120.3(3) . . ?
C9 C8 H8 119.8 . . ?
C4 C9 H9 119.1 . . ?
C8 C9 C4 121.7(3) . . ?
C8 C9 H9 119.1 . . ?
C7 O10 C11 119.1(3) . . ?
O10 C11 H11A 110.3 . . ?
O10 C11 H11B 110.3 . . ?
O10 C11 C12 106.9(3) . . ?
H11A C11 H11B 108.6 . . ?
C12 C11 H11A 110.3 . . ?
C12 C11 H11B 110.3 . . ?
C11 C12 H12A 108.2 . . ?
C11 C12 H12B 108.2 . . ?
C11 C12 C13 116.2(3) . . ?
H12A C12 H12B 107.4 . . ?
C13 C12 H12A 108.2 . . ?
C13 C12 H12B 108.2 . . ?
C12 C13 H13A 108.4 . . ?
C12 C13 H13B 108.4 . . ?
H13A C13 H13B 107.4 . . ?
C14 C13 C12 115.6(4) . . ?
C14 C13 H13A 108.4 . . ?
C14 C13 H13B 108.4 . . ?
C13 C14 H14A 108.9 . . ?
C13 C14 H14B 108.9 . . ?
H14A C14 H14B 107.7 . . ?
C15 C14 C13 113.2(5) . . ?
C15 C14 H14A 108.9 . . ?
C15 C14 H14B 108.9 . . ?
C14 C15 H15A 109.3 . . ?
C14 C15 H15B 109.3 . . ?
C14 C15 C16 111.4(5) . . ?
H15A C15 H15B 108.0 . . ?
C16 C15 H15A 109.3 . . ?
C16 C15 H15B 109.3 . . ?
C15 C16 H16A 108.2 . . ?
C15 C16 H16B 108.2 . . ?
H16A C16 H16B 107.3 . . ?
C10 C16 C15 116.4(7) . . ?
C10 C16 H16A 108.2 . . ?
C10 C16 H16B 108.2 . . ?
C3 C21 H21 119.9 . . ?
C22 C21 C3 120.2(3) . . ?
C22 C21 H21 119.9 . . ?
N1 C22 C21 120.8(3) . . ?
N1 C22 C23 111.9(2) . . ?
C21 C22 C23 127.3(3) . . ?
N2 C23 C22 114.8(2) . . ?
N2 C23 C27 121.1(3) . . ?
C27 C23 C22 124.1(3) . . ?
N2 C24 H24 119.0 . . ?
N2 C24 C25 121.9(3) . . ?
C25 C24 H24 119.0 . . ?
C24 C25 H25 120.3 . . ?
C24 C25 C26 119.4(3) . . ?
C26 C25 H25 120.3 . . ?
C25 C26 H26 120.3 . . ?
C25 C26 C27 119.5(3) . . ?
C27 C26 H26 120.3 . . ?
C23 C27 H27 120.6 . . ?
C26 C27 C23 118.9(3) . . ?
C26 C27 H27 120.6 . . ?
N3 C28 C1 114.4(3) . . ?
C32 C28 N3 121.7(3) . . ?
C32 C28 C1 123.9(3) . . ?
N3 C29 H29 118.9 . . ?
N3 C29 C30 122.2(3) . . ?
C30 C29 H29 118.9 . . ?
C29 C30 H30 120.4 . . ?
C29 C30 C31 119.2(3) . . ?
C31 C30 H30 120.4 . . ?
C30 C31 H31 120.4 . . ?
C30 C31 C32 119.2(3) . . ?
C32 C31 H31 120.4 . . ?
C28 C32 C31 119.2(3) . . ?
C28 C32 H32 120.4 . . ?
C31 C32 H32 120.4 . . ?
C34 N33 Ru2 122.51(18) . . ?
C40 N33 Ru2 117.03(19) . . ?
C40 N33 C34 119.2(2) . . ?
C35 C34 N33 119.7(3) . . ?
C35 C34 C39 121.0(3) . . ?
C39 C34 N33 119.3(3) . . ?
C34 C35 H35 120.6 . . ?
C34 C35 C36 118.9(3) . . ?
C36 C35 H35 120.6 . . ?
C35 C36 H36 119.9 . . ?
C37 C36 C35 120.2(4) . . ?
C37 C36 H36 119.9 . . ?
C36 C37 H37 119.7 . . ?
C38 C37 C36 120.5(4) . . ?
C38 C37 H37 119.7 . . ?
C37 C38 H38 120.1 . . ?
C37 C38 C39 119.9(4) . . ?
C39 C38 H38 120.1 . . ?
C34 C39 C38 119.5(3) . . ?
C34 C39 H39 120.3 . . ?
C38 C39 H39 120.3 . . ?
N33 C40 C41 112.7(2) . . ?
N33 C40 C53 126.1(3) . . ?
C53 C40 C41 121.2(3) . . ?
O8 C41 C40 116.3(2) . . ?
O8 C41 C42 124.0(3) . . ?
C42 C41 C40 119.7(3) . . ?
C41 C42 C43 120.8(3) . . ?
C47 C42 C41 115.7(3) . . ?
C47 C42 C43 123.5(3) . . ?
C42 C43 C44 108.1(3) . . ?
C42 C43 C45 111.3(3) . . ?
C42 C43 C46 111.8(3) . . ?
C45 C43 C44 109.9(3) . . ?
C46 C43 C44 108.1(3) . . ?
C46 C43 C45 107.6(3) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C43 C46 H46A 109.5 . . ?
C43 C46 H46B 109.5 . . ?
C43 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C42 C47 H47 117.4 . . ?
C42 C47 C48 125.1(3) . . ?
C48 C47 H47 117.4 . . ?
C47 C48 C49 118.3(3) . . ?
C53 C48 C47 119.3(3) . . ?
C53 C48 C49 122.5(3) . . ?
C48 C49 C18B 110.6(4) . . ?
C50 C49 C48 109.9(3) . . ?
C50 C49 C18B 97.7(6) . . ?
C51 C49 C48 108.2(4) . . ?
C51 C49 C50 108.1(4) . . ?
C51 C49 C18B 121.5(6) . . ?
C18 C49 C48 110.9(5) . . ?
C18 C49 C50 127.6(8) . . ?
C18 C49 C51 88.7(9) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C40 C53 H53 120.6 . . ?
C48 C53 C40 118.8(3) . . ?
C48 C53 H53 120.6 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C55 C54 H54A 109.5 . . ?
C55 C54 H54B 109.5 . . ?
C55 C54 H54C 109.5 . . ?
C56 C55 C54 122.4(6) . . ?
C56 C55 C60 118.8(6) . . ?
C60 C55 C54 118.7(6) . . ?
C55 C56 H56 120.9 . . ?
C55 C56 C57 118.2(5) . . ?
C57 C56 H56 120.9 . . ?
C56 C57 H57 118.1 . . ?
C58 C57 C56 123.9(7) . . ?
C58 C57 H57 118.1 . . ?
C57 C58 H58 121.8 . . ?
C57 C58 C61 116.4(7) . . ?
C61 C58 H58 121.8 . . ?
C55 C60 H60 119.2 . . ?
C61 C60 C55 121.7(6) . . ?
C61 C60 H60 119.2 . . ?
C58 C61 H61 119.6 . . ?
C60 C61 C58 120.7(6) . . ?
C60 C61 H61 119.6 . . ?
C49 C18 H18A 109.5 . . ?
C49 C18 H18B 109.5 . . ?
C49 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C49 C18B H18D 109.5 . . ?
C49 C18B H18E 109.5 . . ?
C49 C18B H18F 109.5 . . ?
H18D C18B H18E 109.5 . . ?
H18D C18B H18F 109.5 . . ?
H18E C18B H18F 109.5 . . ?
C16 C10 H10A 109.2 . . ?
C16 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
C17B C10 C16 112.1(6) . . ?
C17B C10 H10A 109.2 . . ?
C17B C10 H10B 109.2 . . ?
C17A C10 C16 143.9(10) . . ?
C10 C17B H17A 109.4 . . ?
C10 C17B H17B 109.4 . . ?
C10 C17B C19B 111.1(9) . . ?
H17A C17B H17B 108.0 . . ?
C19B C17B H17A 109.4 . . ?
C19B C17B H17B 109.4 . . ?
C17B C19B H19A 109.5 . . ?
C17B C19B H19B 109.5 . . ?
C17B C19B H19C 109.5 . . ?
H19A C19B H19B 109.5 . . ?
H19A C19B H19C 109.5 . . ?
H19B C19B H19C 109.5 . . ?
C10 C17A H17C 104.8 . . ?
C10 C17A H17D 104.8 . . ?
H17C C17A H17D 105.8 . . ?
C19A C17A C10 130.1(16) . . ?
C19A C17A H17C 104.8 . . ?
C19A C17A H17D 104.8 . . ?
C17A C19A H19D 109.5 . . ?
C17A C19A H19E 109.5 . . ?
C17A C19A H19F 109.5 . . ?
H19D C19A H19E 109.5 . . ?
H19D C19A H19F 109.5 . . ?
H19E C19A H19F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru2 O8 C41 C40 -4.9(3) . . . . ?
Ru2 O8 C41 C42 177.4(2) . . . . ?
Ru2 N1 C1 C2 179.7(2) . . . . ?
Ru2 N1 C1 C28 -2.5(3) . . . . ?
Ru2 N1 C22 C21 178.6(2) . . . . ?
Ru2 N1 C22 C23 0.9(3) . . . . ?
Ru2 N2 C23 C22 -4.1(3) . . . . ?
Ru2 N2 C23 C27 175.8(2) . . . . ?
Ru2 N2 C24 C25 -175.3(2) . . . . ?
Ru2 N3 C28 C1 3.6(3) . . . . ?
Ru2 N3 C28 C32 -179.0(2) . . . . ?
Ru2 N3 C29 C30 -179.8(2) . . . . ?
Ru2 N33 C34 C35 74.4(3) . . . . ?
Ru2 N33 C34 C39 -102.5(3) . . . . ?
Ru2 N33 C40 C41 -2.3(3) . . . . ?
Ru2 N33 C40 C53 176.1(3) . . . . ?
O8 C41 C42 C43 -5.2(5) . . . . ?
O8 C41 C42 C47 172.8(3) . . . . ?
N1 C1 C2 C3 1.8(4) . . . . ?
N1 C1 C28 N3 -0.9(4) . . . . ?
N1 C1 C28 C32 -178.2(3) . . . . ?
N1 C22 C23 N2 2.2(3) . . . . ?
N1 C22 C23 C27 -177.7(3) . . . . ?
N2 C23 C27 C26 0.0(4) . . . . ?
N2 C24 C25 C26 -0.3(5) . . . . ?
N3 C28 C32 C31 -1.5(5) . . . . ?
N3 C29 C30 C31 -0.3(5) . . . . ?
C1 N1 C22 C21 -2.2(4) . . . . ?
C1 N1 C22 C23 -179.8(2) . . . . ?
C1 C2 C3 C4 173.4(3) . . . . ?
C1 C2 C3 C21 -2.1(4) . . . . ?
C1 C28 C32 C31 175.7(3) . . . . ?
C2 C1 C28 N3 176.8(3) . . . . ?
C2 C1 C28 C32 -0.6(5) . . . . ?
C2 C3 C4 C5 175.0(3) . . . . ?
C2 C3 C4 C9 -9.6(4) . . . . ?
C2 C3 C21 C22 0.4(4) . . . . ?
C3 C4 C5 C6 174.1(3) . . . . ?
C3 C4 C9 C8 -174.9(3) . . . . ?
C3 C21 C22 N1 1.8(4) . . . . ?
C3 C21 C22 C23 179.0(3) . . . . ?
C4 C3 C21 C22 -175.0(3) . . . . ?
C4 C5 C6 C7 0.9(5) . . . . ?
C5 C4 C9 C8 0.8(5) . . . . ?
C5 C6 C7 C8 0.5(5) . . . . ?
C5 C6 C7 O10 -178.8(3) . . . . ?
C6 C7 C8 C9 -1.2(6) . . . . ?
C6 C7 O10 C11 4.8(5) . . . . ?
C7 C8 C9 C4 0.6(6) . . . . ?
C7 O10 C11 C12 174.0(3) . . . . ?
C8 C7 O10 C11 -174.6(3) . . . . ?
C9 C4 C5 C6 -1.5(5) . . . . ?
O10 C7 C8 C9 178.2(3) . . . . ?
O10 C11 C12 C13 -53.1(5) . . . . ?
C11 C12 C13 C14 -70.6(5) . . . . ?
C12 C13 C14 C15 -70.3(5) . . . . ?
C13 C14 C15 C16 -171.1(5) . . . . ?
C14 C15 C16 C10 177.9(5) . . . . ?
C15 C16 C10 C17B -79.8(10) . . . . ?
C15 C16 C10 C17A -145.5(17) . . . . ?
C16 C10 C17B C19B -176.7(12) . . . . ?
C16 C10 C17A C19A -158(2) . . . . ?
C21 C3 C4 C5 -9.7(5) . . . . ?
C21 C3 C4 C9 165.7(3) . . . . ?
C21 C22 C23 N2 -175.2(3) . . . . ?
C21 C22 C23 C27 4.8(5) . . . . ?
C22 N1 C1 C2 0.4(4) . . . . ?
C22 N1 C1 C28 178.2(2) . . . . ?
C22 C23 C27 C26 180.0(3) . . . . ?
C23 N2 C24 C25 1.0(4) . . . . ?
C24 N2 C23 C22 179.2(2) . . . . ?
C24 N2 C23 C27 -0.8(4) . . . . ?
C24 C25 C26 C27 -0.5(5) . . . . ?
C25 C26 C27 C23 0.6(4) . . . . ?
C28 N3 C29 C30 -1.8(4) . . . . ?
C28 C1 C2 C3 -175.8(3) . . . . ?
C29 N3 C28 C1 -174.7(3) . . . . ?
C29 N3 C28 C32 2.7(4) . . . . ?
C29 C30 C31 C32 1.5(5) . . . . ?
C30 C31 C32 C28 -0.7(5) . . . . ?
N33 C34 C35 C36 -177.5(3) . . . . ?
N33 C34 C39 C38 177.9(3) . . . . ?
N33 C40 C41 O8 4.7(4) . . . . ?
N33 C40 C41 C42 -177.4(3) . . . . ?
N33 C40 C53 C48 -178.4(3) . . . . ?
C34 N33 C40 C41 -170.0(3) . . . . ?
C34 N33 C40 C53 8.4(5) . . . . ?
C34 C35 C36 C37 -0.3(6) . . . . ?
C35 C34 C39 C38 0.9(5) . . . . ?
C35 C36 C37 C38 1.0(7) . . . . ?
C36 C37 C38 C39 -0.6(7) . . . . ?
C37 C38 C39 C34 -0.3(6) . . . . ?
C39 C34 C35 C36 -0.6(5) . . . . ?
C40 N33 C34 C35 -118.7(3) . . . . ?
C40 N33 C34 C39 64.4(4) . . . . ?
C40 C41 C42 C43 177.1(3) . . . . ?
C40 C41 C42 C47 -4.9(4) . . . . ?
C41 C40 C53 C48 -0.1(5) . . . . ?
C41 C42 C43 C44 67.4(4) . . . . ?
C41 C42 C43 C45 -53.3(4) . . . . ?
C41 C42 C43 C46 -173.7(3) . . . . ?
C41 C42 C47 C48 2.1(5) . . . . ?
C42 C47 C48 C49 -178.1(4) . . . . ?
C42 C47 C48 C53 1.8(5) . . . . ?
C43 C42 C47 C48 180.0(3) . . . . ?
C47 C42 C43 C44 -110.4(3) . . . . ?
C47 C42 C43 C45 128.9(3) . . . . ?
C47 C42 C43 C46 8.5(4) . . . . ?
C47 C48 C49 C50 -53.1(5) . . . . ?
C47 C48 C49 C51 64.7(5) . . . . ?
C47 C48 C49 C18 160.5(9) . . . . ?
C47 C48 C49 C18B -159.9(6) . . . . ?
C47 C48 C53 C40 -2.8(5) . . . . ?
C49 C48 C53 C40 177.1(4) . . . . ?
C53 C40 C41 O8 -173.7(3) . . . . ?
C53 C40 C41 C42 4.1(4) . . . . ?
C53 C48 C49 C50 127.0(4) . . . . ?
C53 C48 C49 C51 -115.2(5) . . . . ?
C53 C48 C49 C18 -19.4(10) . . . . ?
C53 C48 C49 C18B 20.2(7) . . . . ?
C54 C55 C56 C57 175.4(5) . . . . ?
C54 C55 C60 C61 179.4(6) . . . . ?
C55 C56 C57 C58 6.3(9) . . . . ?
C55 C60 C61 C58 4.6(9) . . . . ?
C56 C55 C60 C61 -3.4(9) . . . . ?
C56 C57 C58 C61 -5.1(9) . . . . ?
C57 C58 C61 C60 -0.2(9) . . . . ?
C60 C55 C56 C57 -1.7(8) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.267 0.000 0.000 775.9 134.9 ?

_olex2_submission_special_instructions 'No special instructions were received'
