# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_bala65_0m
_database_code_depnum_ccdc_archive 'CCDC 1472077'
_audit_update_record             
;
2016-04-04 deposited with the CCDC.
2016-07-12 downloaded from the CCDC.
;
_audit_creation_date             2016-04-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
#==============================================================================
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H38 N10 Ru, 2(F6 P), C4 H6 O'
_chemical_formula_sum            'C38 H44 F12 N10 O P2 Ru'
_chemical_formula_weight         1047.84
_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 0.0150 0.0070 '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 0.0250 0.0140 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0600 0.0410 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2600 0.3350 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -0.0760 2.5660 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 '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                   11.3080(4)
_cell_length_b                   26.7172(8)
_cell_length_c                   14.0045(5)
_cell_angle_alpha                90
_cell_angle_beta                 99.4770(10)
_cell_angle_gamma                90
_cell_volume                     4173.3(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9868
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      59.87
_cell_measurement_theta_min      4.31
_shelx_estimated_absorpt_T_max   119.748
_shelx_estimated_absorpt_T_min   8.617
_exptl_absorpt_coefficient_mu    3.042
_exptl_absorpt_correction_T_max  0.7517
_exptl_absorpt_correction_T_min  0.5457
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.1302 before and 0.0454 after correction.
The Ratio of minimum to maximum transmission is 0.7260.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2128
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_unetI/netI     0.0158
_diffrn_reflns_Laue_measured_fraction_full 0.998
_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       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            47209
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         59.841
_diffrn_reflns_theta_min         2.878
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_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           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4598
_reflns_number_total             4674
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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         0.967
_refine_diff_density_min         -0.803
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4674
_refine_ls_number_restraints     22
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0354
_refine_ls_restrained_S_all      1.109
_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)+(0.0530P)²+12.0210P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.0947
_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. Restrained distances
 C19_$1-C18_$1
 1.54 with sigma of 0.02
 C18-C19
 1.54 with sigma of 0.02
 C19_$1-O1_$1
 1.43 with sigma of 0.02
 C19-O1_$1
 1.43 with sigma of 0.02
 C18_$1-O1_$1
 2.36 with sigma of 0.04
 C18-O1_$1
 2.36 with sigma of 0.04
 C19_$1-C19
 2.35 with sigma of 0.04
3. Rigid bond restraints
 O1, C19, C18
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C18
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
O1 \\sim C19 \\sim C18: within 1.7A with sigma of 0.04 and sigma for terminal
atoms of 0.08
C18 \\sim C19: within 1.7A with sigma of 0.04 and sigma for terminal atoms of
0.08
5. Others
 Fixed Sof: O1(0.5)
6.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C16(H16A,H16B), C14(H14A,H14B), C11(H11A,H11B), C12(H12A,
 H12B), C15(H15A,H15B)
6.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C7(H7), C2(H2), C3(H3), C4(H4), C9(H9), C8(H8)
6.c Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.5000 0.32554(2) 0.7500 0.01343(8) Uani 1 2 d S T P . .
P2 P 1.0000 0.33246(3) 0.7500 0.01842(16) Uani 1 2 d S T P . .
P1 P 0.5000 0.41667(4) 0.2500 0.0374(2) Uani 1 2 d S T P . .
F8 F 1.0000 0.27250(7) 0.7500 0.0273(4) Uani 1 2 d S T P . .
F6 F 0.87661(13) 0.33233(6) 0.67517(12) 0.0324(3) Uani 1 1 d . . . . .
F5 F 1.0000 0.39216(8) 0.7500 0.0371(5) Uani 1 2 d S T P . .
F7 F 1.07327(15) 0.33200(6) 0.66091(12) 0.0339(4) Uani 1 1 d . . . . .
F3 F 0.5000 0.35737(9) 0.2500 0.0429(6) Uani 1 2 d S T P . .
N2 N 0.54634(16) 0.31985(6) 0.61741(13) 0.0147(3) Uani 1 1 d . . . . .
N1 N 0.38595(15) 0.26958(6) 0.69162(12) 0.0143(3) Uani 1 1 d . . . . .
N4 N 0.63007(16) 0.37946(6) 0.78649(13) 0.0160(3) Uani 1 1 d . . . . .
F4 F 0.63409(17) 0.41638(7) 0.30878(15) 0.0508(5) Uani 1 1 d . . . . .
N5 N 0.74125(17) 0.44872(7) 0.74845(14) 0.0217(4) Uani 1 1 d . . . . .
N3 N 0.63726(17) 0.39957(7) 0.62371(13) 0.0192(4) Uani 1 1 d . . . . .
F2 F 0.5504(2) 0.41627(12) 0.15048(17) 0.0851(9) Uani 1 1 d . . . . .
C6 C 0.50899(19) 0.27685(8) 0.56821(14) 0.0160(4) Uani 1 1 d . . . . .
C10 C 0.61786(19) 0.35209(8) 0.58022(15) 0.0179(4) Uani 1 1 d . . . . .
C5 C 0.41571(18) 0.24942(8) 0.60929(15) 0.0164(4) Uani 1 1 d . . . . .
C1 C 0.29359(19) 0.24962(8) 0.72839(16) 0.0184(4) Uani 1 1 d . . . . .
H1 H 0.2715 0.2642 0.7832 0.022 Uiso 1 1 calc R . . . .
C17 C 0.67002(18) 0.40812(8) 0.72342(16) 0.0174(4) Uani 1 1 d . . . . .
C7 C 0.5501(2) 0.26343(9) 0.48420(16) 0.0226(4) Uani 1 1 d . . . . .
H7 H 0.5246 0.2340 0.4517 0.027 Uiso 1 1 calc R . . . .
C13 C 0.8105(2) 0.47597(9) 0.68566(18) 0.0257(5) Uani 1 1 d . . . . .
H13A H 0.8949 0.4747 0.7135 0.031 Uiso 1 1 calc R . . . .
H13B H 0.7860 0.5108 0.6823 0.031 Uiso 1 1 calc R . . . .
C2 C 0.2303(2) 0.20828(9) 0.68782(17) 0.0237(5) Uani 1 1 d . . . . .
H2 H 0.1669 0.1954 0.7148 0.028 Uiso 1 1 calc R . . . .
C16 C 0.6799(2) 0.38872(8) 0.88840(15) 0.0194(4) Uani 1 1 d . . . . .
H16A H 0.7612 0.3760 0.9024 0.023 Uiso 1 1 calc R . . . .
H16B H 0.6323 0.3714 0.9297 0.023 Uiso 1 1 calc R . . . .
C3 C 0.2634(2) 0.18651(9) 0.60617(18) 0.0261(5) Uani 1 1 d . . . . .
H3 H 0.2242 0.1580 0.5790 0.031 Uiso 1 1 calc R . . . .
C4 C 0.3556(2) 0.20766(9) 0.56551(16) 0.0227(4) Uani 1 1 d . . . . .
H4 H 0.3771 0.1941 0.5096 0.027 Uiso 1 1 calc R . . . .
C14 C 0.7604(2) 0.46879(9) 0.84735(18) 0.0274(5) Uani 1 1 d . . . . .
H14A H 0.7456 0.5046 0.8449 0.033 Uiso 1 1 calc R . . . .
H14B H 0.8433 0.4635 0.8768 0.033 Uiso 1 1 calc R . . . .
C11 C 0.6610(2) 0.44122(9) 0.56014(17) 0.0247(5) Uani 1 1 d . . . . .
H11A H 0.6125 0.4700 0.5705 0.030 Uiso 1 1 calc R . . . .
H11B H 0.6411 0.4313 0.4928 0.030 Uiso 1 1 calc R . . . .
C12 C 0.7933(2) 0.45436(9) 0.58444(19) 0.0263(5) Uani 1 1 d . . . . .
H12A H 0.8425 0.4247 0.5825 0.032 Uiso 1 1 calc R . . . .
H12B H 0.8149 0.4787 0.5389 0.032 Uiso 1 1 calc R . . . .
F1 F 0.5000 0.47585(11) 0.2500 0.126(2) Uani 1 2 d S T P . .
C9 C 0.6640(2) 0.33965(10) 0.49661(16) 0.0242(5) Uani 1 1 d . . . . .
H9 H 0.7168 0.3612 0.4728 0.029 Uiso 1 1 calc R . . . .
C15 C 0.6795(2) 0.44438(9) 0.90881(19) 0.0274(5) Uani 1 1 d . . . . .
H15A H 0.5988 0.4576 0.8927 0.033 Uiso 1 1 calc R . . . .
H15B H 0.7086 0.4507 0.9768 0.033 Uiso 1 1 calc R . . . .
C8 C 0.6307(2) 0.29515(10) 0.44975(17) 0.0262(5) Uani 1 1 d . . . . .
H8 H 0.6624 0.2864 0.3949 0.031 Uiso 1 1 calc R . . . .
C19 C 0.9482(6) 0.3924(2) 0.3181(6) 0.154(4) Uani 1 1 d D U . . .
C18 C 0.9964(7) 0.4153(2) 0.4096(5) 0.119(3) Uani 1 1 d D U . . .
H18A H 1.0821 0.4170 0.4161 0.178 Uiso 1 1 calc GR . . . .
H18B H 0.9747 0.3957 0.4614 0.178 Uiso 1 1 calc GR . . . .
H18C H 0.9643 0.4485 0.4119 0.178 Uiso 1 1 calc GR . . . .
O1 O 1.0474(8) 0.4144(3) 0.2613(6) 0.115(3) Uani 0.5 1 d D U . A 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
Ru1 N2 2.0164(18) . ?
Ru1 N2 2.0165(18) 2_656 ?
Ru1 N1 2.0542(17) 2_656 ?
Ru1 N1 2.0542(17) . ?
Ru1 N4 2.0622(17) 2_656 ?
Ru1 N4 2.0621(17) . ?
P2 F8 1.602(2) . ?
P2 F6 1.6011(14) 2_756 ?
P2 F6 1.6011(14) . ?
P2 F5 1.595(2) . ?
P2 F7 1.6073(15) . ?
P2 F7 1.6074(15) 2_756 ?
P1 F3 1.584(2) . ?
P1 F4 1.6017(17) 2_655 ?
P1 F4 1.6018(17) . ?
P1 F2 1.590(3) . ?
P1 F2 1.590(3) 2_655 ?
P1 F1 1.581(3) . ?
N2 C6 1.370(3) . ?
N2 C10 1.344(3) . ?
N1 C5 1.364(3) . ?
N1 C1 1.348(3) . ?
N4 C17 1.305(3) . ?
N4 C16 1.467(3) . ?
N5 C17 1.362(3) . ?
N5 C13 1.464(3) . ?
N5 C14 1.468(3) . ?
N3 C10 1.409(3) . ?
N3 C17 1.403(3) . ?
N3 C11 1.477(3) . ?
C6 C5 1.477(3) . ?
C6 C7 1.382(3) . ?
C10 C9 1.398(3) . ?
C5 C4 1.395(3) . ?
C1 H1 0.9300 . ?
C1 C2 1.386(3) . ?
C7 H7 0.9300 . ?
C7 C8 1.388(3) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C12 1.513(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.388(3) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C15 1.514(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.388(3) . ?
C4 H4 0.9300 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.504(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.519(3) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C9 H9 0.9300 . ?
C9 C8 1.380(4) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C8 H8 0.9300 . ?
C19 C18 1.444(8) . ?
C19 O1 1.590(11) . ?
C19 O1 1.266(11) 2_755 ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
O1 C19 1.266(11) 2_755 ?
O1 O1 1.066(17) 2_755 ?

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
N2 Ru1 N2 171.35(10) . 2_656 ?
N2 Ru1 N1 94.03(7) 2_656 . ?
N2 Ru1 N1 79.62(7) 2_656 2_656 ?
N2 Ru1 N1 79.63(7) . . ?
N2 Ru1 N1 94.03(7) . 2_656 ?
N2 Ru1 N4 96.17(7) 2_656 . ?
N2 Ru1 N4 89.89(7) 2_656 2_656 ?
N2 Ru1 N4 96.16(7) . 2_656 ?
N2 Ru1 N4 89.88(7) . . ?
N1 Ru1 N1 86.59(9) . 2_656 ?
N1 Ru1 N4 91.97(7) 2_656 . ?
N1 Ru1 N4 169.27(7) . . ?
N1 Ru1 N4 169.28(7) 2_656 2_656 ?
N1 Ru1 N4 91.97(7) . 2_656 ?
N4 Ru1 N4 91.36(10) . 2_656 ?
F8 P2 F7 89.56(6) . 2_756 ?
F8 P2 F7 89.56(6) . . ?
F6 P2 F8 89.87(6) 2_756 . ?
F6 P2 F8 89.87(6) . . ?
F6 P2 F6 179.74(13) 2_756 . ?
F6 P2 F7 90.17(9) . 2_756 ?
F6 P2 F7 89.83(9) 2_756 2_756 ?
F6 P2 F7 90.17(9) 2_756 . ?
F6 P2 F7 89.83(9) . . ?
F5 P2 F8 180.0 . . ?
F5 P2 F6 90.13(6) . 2_756 ?
F5 P2 F6 90.13(6) . . ?
F5 P2 F7 90.44(6) . 2_756 ?
F5 P2 F7 90.44(6) . . ?
F7 P2 F7 179.13(13) . 2_756 ?
F3 P1 F4 89.72(8) . . ?
F3 P1 F4 89.72(8) . 2_655 ?
F3 P1 F2 89.61(12) . 2_655 ?
F3 P1 F2 89.62(12) . . ?
F4 P1 F4 179.44(15) 2_655 . ?
F2 P1 F4 89.71(12) 2_655 . ?
F2 P1 F4 90.28(12) 2_655 2_655 ?
F2 P1 F4 89.71(12) . 2_655 ?
F2 P1 F4 90.28(12) . . ?
F2 P1 F2 179.2(2) 2_655 . ?
F1 P1 F3 180.0 . . ?
F1 P1 F4 90.28(8) . . ?
F1 P1 F4 90.28(8) . 2_655 ?
F1 P1 F2 90.39(12) . 2_655 ?
F1 P1 F2 90.38(12) . . ?
C6 N2 Ru1 114.90(14) . . ?
C10 N2 Ru1 124.94(15) . . ?
C10 N2 C6 119.86(18) . . ?
C5 N1 Ru1 113.44(14) . . ?
C1 N1 Ru1 127.66(14) . . ?
C1 N1 C5 118.76(18) . . ?
C17 N4 Ru1 123.69(15) . . ?
C17 N4 C16 116.07(18) . . ?
C16 N4 Ru1 120.20(13) . . ?
C17 N5 C13 126.4(2) . . ?
C17 N5 C14 121.53(19) . . ?
C13 N5 C14 112.01(19) . . ?
C10 N3 C11 116.65(18) . . ?
C17 N3 C10 125.01(17) . . ?
C17 N3 C11 115.64(18) . . ?
N2 C6 C5 113.64(17) . . ?
N2 C6 C7 121.8(2) . . ?
C7 C6 C5 124.42(19) . . ?
N2 C10 N3 118.07(19) . . ?
N2 C10 C9 120.2(2) . . ?
C9 C10 N3 121.5(2) . . ?
N1 C5 C6 115.14(18) . . ?
N1 C5 C4 121.16(19) . . ?
C4 C5 C6 123.59(19) . . ?
N1 C1 H1 118.7 . . ?
N1 C1 C2 122.6(2) . . ?
C2 C1 H1 118.7 . . ?
N4 C17 N5 123.3(2) . . ?
N4 C17 N3 120.93(19) . . ?
N5 C17 N3 115.71(19) . . ?
C6 C7 H7 121.0 . . ?
C6 C7 C8 118.0(2) . . ?
C8 C7 H7 121.0 . . ?
N5 C13 H13A 109.2 . . ?
N5 C13 H13B 109.2 . . ?
N5 C13 C12 111.97(19) . . ?
H13A C13 H13B 107.9 . . ?
C12 C13 H13A 109.2 . . ?
C12 C13 H13B 109.2 . . ?
C1 C2 H2 120.6 . . ?
C1 C2 C3 118.7(2) . . ?
C3 C2 H2 120.6 . . ?
N4 C16 H16A 109.7 . . ?
N4 C16 H16B 109.7 . . ?
N4 C16 C15 109.68(18) . . ?
H16A C16 H16B 108.2 . . ?
C15 C16 H16A 109.7 . . ?
C15 C16 H16B 109.7 . . ?
C2 C3 H3 120.3 . . ?
C4 C3 C2 119.4(2) . . ?
C4 C3 H3 120.3 . . ?
C5 C4 H4 120.3 . . ?
C3 C4 C5 119.3(2) . . ?
C3 C4 H4 120.3 . . ?
N5 C14 H14A 109.2 . . ?
N5 C14 H14B 109.2 . . ?
N5 C14 C15 111.87(19) . . ?
H14A C14 H14B 107.9 . . ?
C15 C14 H14A 109.2 . . ?
C15 C14 H14B 109.2 . . ?
N3 C11 H11A 110.1 . . ?
N3 C11 H11B 110.1 . . ?
N3 C11 C12 108.02(18) . . ?
H11A C11 H11B 108.4 . . ?
C12 C11 H11A 110.1 . . ?
C12 C11 H11B 110.1 . . ?
C13 C12 C11 105.5(2) . . ?
C13 C12 H12A 110.6 . . ?
C13 C12 H12B 110.6 . . ?
C11 C12 H12A 110.6 . . ?
C11 C12 H12B 110.6 . . ?
H12A C12 H12B 108.8 . . ?
C10 C9 H9 120.2 . . ?
C8 C9 C10 119.5(2) . . ?
C8 C9 H9 120.2 . . ?
C16 C15 H15A 110.3 . . ?
C16 C15 H15B 110.3 . . ?
C14 C15 C16 107.3(2) . . ?
C14 C15 H15A 110.3 . . ?
C14 C15 H15B 110.3 . . ?
H15A C15 H15B 108.5 . . ?
C7 C8 H8 119.9 . . ?
C9 C8 C7 120.3(2) . . ?
C9 C8 H8 119.9 . . ?
C18 C19 O1 95.3(5) . . ?
O1 C19 C18 121.2(7) 2_755 . ?
O1 C19 O1 41.9(7) 2_755 . ?
C19 C18 H18A 109.5 . . ?
C19 C18 H18B 109.5 . . ?
C19 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C19 O1 C19 113.6(7) 2_755 . ?
O1 O1 C19 85.6(8) 2_755 2_755 ?
O1 O1 C19 52.5(8) 2_755 . ?

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 N2 C6 C5 15.5(2) . . . . ?
Ru1 N2 C6 C7 -168.99(17) . . . . ?
Ru1 N2 C10 N3 -17.5(3) . . . . ?
Ru1 N2 C10 C9 166.99(16) . . . . ?
Ru1 N1 C5 C6 -10.4(2) . . . . ?
Ru1 N1 C5 C4 173.36(17) . . . . ?
Ru1 N1 C1 C2 -172.98(17) . . . . ?
Ru1 N4 C17 N5 169.16(16) . . . . ?
Ru1 N4 C17 N3 -8.4(3) . . . . ?
Ru1 N4 C16 C15 -131.51(16) . . . . ?
N2 C6 C5 N1 -3.1(3) . . . . ?
N2 C6 C5 C4 173.1(2) . . . . ?
N2 C6 C7 C8 -0.5(3) . . . . ?
N2 C10 C9 C8 3.3(3) . . . . ?
N1 C5 C4 C3 0.4(3) . . . . ?
N1 C1 C2 C3 0.1(4) . . . . ?
N4 C16 C15 C14 -62.8(2) . . . . ?
N5 C13 C12 C11 40.0(2) . . . . ?
N5 C14 C15 C16 43.5(3) . . . . ?
N3 C10 C9 C8 -172.1(2) . . . . ?
N3 C11 C12 C13 -67.4(2) . . . . ?
C6 N2 C10 N3 169.11(18) . . . . ?
C6 N2 C10 C9 -6.4(3) . . . . ?
C6 C5 C4 C3 -175.5(2) . . . . ?
C6 C7 C8 C9 -2.7(4) . . . . ?
C10 N2 C6 C5 -170.47(18) . . . . ?
C10 N2 C6 C7 5.1(3) . . . . ?
C10 N3 C17 N4 -34.7(3) . . . . ?
C10 N3 C17 N5 147.6(2) . . . . ?
C10 N3 C11 C12 -106.7(2) . . . . ?
C10 C9 C8 C7 1.3(4) . . . . ?
C5 N1 C1 C2 2.3(3) . . . . ?
C5 C6 C7 C8 174.6(2) . . . . ?
C1 N1 C5 C6 173.67(18) . . . . ?
C1 N1 C5 C4 -2.6(3) . . . . ?
C1 C2 C3 C4 -2.3(4) . . . . ?
C17 N4 C16 C15 46.3(3) . . . . ?
C17 N5 C13 C12 1.0(3) . . . . ?
C17 N5 C14 C15 -8.5(3) . . . . ?
C17 N3 C10 N2 49.0(3) . . . . ?
C17 N3 C10 C9 -135.5(2) . . . . ?
C17 N3 C11 C12 55.7(3) . . . . ?
C7 C6 C5 N1 -178.5(2) . . . . ?
C7 C6 C5 C4 -2.3(3) . . . . ?
C13 N5 C17 N4 165.7(2) . . . . ?
C13 N5 C17 N3 -16.7(3) . . . . ?
C13 N5 C14 C15 174.0(2) . . . . ?
C2 C3 C4 C5 2.0(4) . . . . ?
C16 N4 C17 N5 -8.5(3) . . . . ?
C16 N4 C17 N3 173.94(18) . . . . ?
C14 N5 C17 N4 -11.5(3) . . . . ?
C14 N5 C17 N3 166.1(2) . . . . ?
C14 N5 C13 C12 178.45(19) . . . . ?
C11 N3 C10 N2 -150.49(19) . . . . ?
C11 N3 C10 C9 25.0(3) . . . . ?
C11 N3 C17 N4 164.6(2) . . . . ?
C11 N3 C17 N5 -13.1(3) . . . . ?
C18 C19 O1 C19 163.7(7) . . . 2_755 ?
C18 C19 O1 O1 -132.5(7) . . . 2_755 ?
O1 C19 O1 C19 -63.8(10) 2_755 . . 2_755 ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_bala66_0m
_database_code_depnum_ccdc_archive 'CCDC 1472078'
_audit_update_record             
;
2016-04-04 deposited with the CCDC.
2016-07-12 downloaded from the CCDC.
;
_audit_creation_date             2016-04-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
#==============================================================================
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '4(C38 H34 N8 Ru), 8(F6 P), 4(C3 H6 O)'
_chemical_formula_sum            'C164 H160 F48 N32 O4 P8 Ru4'
_chemical_formula_weight         4207.27
_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 0.0150 0.0070 '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'
F F 0.0600 0.0410 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0250 0.0140 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2600 0.3360 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -0.0760 2.5670 '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                   13.4632(3)
_cell_length_b                   17.4582(5)
_cell_length_c                   19.4702(5)
_cell_angle_alpha                69.3920(10)
_cell_angle_beta                 80.4920(10)
_cell_angle_gamma                79.5240(10)
_cell_volume                     4186.57(19)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    8978
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      53.94
_cell_measurement_theta_min      2.61
_shelx_estimated_absorpt_T_max   119.709
_shelx_estimated_absorpt_T_min   4.749
_exptl_absorpt_coefficient_mu    3.066
_exptl_absorpt_correction_T_max  0.7517
_exptl_absorpt_correction_T_min  0.5773
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.1302 before and 0.0454 after correction.
The Ratio of minimum to maximum transmission is 0.7260.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2128
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0319
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            18299
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        53.618
_diffrn_reflns_theta_max         59.876
_diffrn_reflns_theta_min         2.123
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.3418
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17364
_reflns_number_total             18299
_reflns_special_details          
;
 _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  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.176
_refine_diff_density_min         -0.669
_refine_diff_density_rms         0.096
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1179
_refine_ls_number_reflns         18299
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0331
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0450P)²+4.1787P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0835
_refine_ls_wR_factor_ref         0.0857
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.6209(5) 0.3791(5)
2. 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
3.a Secondary CH2 refined with riding coordinates:
 C32(H32A,H32B), C74(H74A,H74B), C34(H34A,H34B), C37(H37A,H37B), C71(H71A,
 H71B), C38(H38A,H38B), C36(H36A,H36B), C72(H72A,H72B), C33(H33A,H33B),
 C70(H70A,H70B), C76(H76A,H76B), C75(H75A,H75B)
3.b Aromatic/amide H refined with riding coordinates:
 C60(H60), C15(H15), C7(H7), C22(H22), C61(H61), C53(H53), C12(H12), C63(H63),
 C68(H68), C42(H42), C25(H25), C45(H45), C47(H47), C14(H14), C39(H39), C41(H41),
  C13(H13), C4(H4), C3(H3), C50(H50), C9(H9), C67(H67), C30(H30), C23(H23),
 C2(H2), C56(H56), C40(H40), C52(H52), C55(H55), C66(H66), C28(H28), C20(H20),
 C24(H24), C62(H62), C1(H1), C21(H21), C29(H29), C51(H51), C59(H59), C18(H18),
 C57(H57), C58(H58), C19(H19), C17(H17)
3.c Idealised Me refined as rotating group:
 C82(H82A,H82B,H82C), C79(H79A,H79B,H79C), C80(H80A,H80B,H80C), C77(H77A,H77B,
 H77C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.66140(2) 0.24995(2) 0.07446(2) 0.01281(5) Uani 1 1 d . . . . .
Ru1 Ru 0.64939(2) 0.72105(2) 0.40589(2) 0.01265(5) Uani 1 1 d . . . . .
P4 P 0.5000 1.0000 0.5000 0.02099(19) Uani 1 2 d S T P . .
P3 P 0.09671(5) 1.04535(4) 0.28136(4) 0.01763(12) Uani 1 1 d . . . . .
P5 P 0.5000 0.0000 0.0000 0.02175(19) Uani 1 2 d S T P . .
P1 P 0.21162(6) 0.53221(5) 0.27203(5) 0.02733(14) Uani 1 1 d . . . . .
P2 P 0.71809(6) 0.48892(5) 0.22773(4) 0.02729(16) Uani 1 1 d . . . . .
F16 F 0.08393(14) 1.14421(10) 0.24833(10) 0.0313(4) Uani 1 1 d . . . . .
F17 F 0.17130(13) 1.04096(11) 0.20891(9) 0.0284(4) Uani 1 1 d . . . . .
F14 F 0.11175(14) 0.94614(10) 0.31374(10) 0.0319(4) Uani 1 1 d . . . . .
N10 N 0.71324(16) 0.23385(12) 0.16756(11) 0.0145(4) Uani 1 1 d . . . . .
N5 N 0.59229(16) 0.70164(13) 0.51274(11) 0.0169(4) Uani 1 1 d . . . . .
F13 F 0.19387(13) 1.04526(11) 0.31964(10) 0.0297(4) Uani 1 1 d . . . . .
N12 N 0.55680(16) 0.35129(13) 0.07564(12) 0.0160(4) Uani 1 1 d . . . . .
F11 F 0.71743(16) 0.49189(13) 0.14429(11) 0.0421(5) Uani 1 1 d . . . . .
F9 F 0.71667(16) 0.48465(13) 0.31202(11) 0.0421(5) Uani 1 1 d . . . . .
N3 N 0.77494(15) 0.63218(13) 0.41984(12) 0.0157(4) Uani 1 1 d . . . . .
F15 F 0.02523(14) 1.04944(12) 0.35398(10) 0.0368(4) Uani 1 1 d . . . . .
F22 F 0.58168(15) -0.01097(13) -0.06663(10) 0.0398(4) Uani 1 1 d . . . . .
N13 N 0.60029(16) 0.27475(13) -0.02101(11) 0.0166(4) Uani 1 1 d . . . . .
F18 F 0.00144(14) 1.04466(13) 0.24275(11) 0.0394(4) Uani 1 1 d . . . . .
F24 F 0.41092(15) 0.00287(14) -0.04624(11) 0.0444(5) Uani 1 1 d . . . . .
F8 F 0.71038(18) 0.39204(12) 0.25677(12) 0.0467(5) Uani 1 1 d . . . . .
N2 N 0.70007(15) 0.73468(13) 0.30268(11) 0.0141(4) Uani 1 1 d . . . . .
N4 N 0.54920(15) 0.64033(13) 0.41906(12) 0.0152(4) Uani 1 1 d . . . . .
F12 F 0.59626(13) 0.50433(12) 0.23646(11) 0.0367(4) Uani 1 1 d . . . . .
N1 N 0.53623(16) 0.80907(13) 0.35302(11) 0.0155(4) Uani 1 1 d . . . . .
N9 N 0.55643(16) 0.18014(12) 0.14889(11) 0.0153(4) Uani 1 1 d . . . . .
F3 F 0.13517(17) 0.46905(14) 0.32090(14) 0.0525(6) Uani 1 1 d . . . . .
N11 N 0.78512(16) 0.31416(13) 0.03538(12) 0.0152(4) Uani 1 1 d . . . . .
N15 N 0.74232(17) 0.14153(13) 0.06104(12) 0.0186(4) Uani 1 1 d . . . . .
N7 N 0.72703(16) 0.81151(13) 0.41002(12) 0.0168(4) Uani 1 1 d . . . . .
F10 F 0.7182(2) 0.58586(13) 0.20047(14) 0.0570(6) Uani 1 1 d . . . . .
N6 N 0.72772(17) 0.75164(14) 0.53874(12) 0.0192(4) Uani 1 1 d . . . . .
F7 F 0.83785(16) 0.4711(2) 0.22028(15) 0.0658(7) Uani 1 1 d . . . . .
F6 F 0.12035(19) 0.59380(18) 0.23057(14) 0.0654(7) Uani 1 1 d . . . . .
N14 N 0.73564(18) 0.19511(14) -0.06734(13) 0.0215(5) Uani 1 1 d . . . . .
F23 F 0.50559(19) -0.09788(12) 0.03587(12) 0.0482(5) Uani 1 1 d . . . . .
C60 C 0.5439(2) 0.39143(16) 0.12504(14) 0.0196(5) Uani 1 1 d . . . . .
H60 H 0.5945 0.3799 0.1574 0.024 Uiso 1 1 calc R . . . .
O2 O 0.0269(2) 0.69021(16) 0.42662(15) 0.0501(7) Uani 1 1 d . . . . .
C5 C 0.55023(18) 0.82867(15) 0.27742(14) 0.0160(5) Uani 1 1 d . . . . .
C10 C 0.78815(18) 0.68927(15) 0.28761(14) 0.0157(5) Uani 1 1 d . . . . .
C31 C 0.6318(2) 0.72410(15) 0.56072(14) 0.0186(5) Uani 1 1 d . . . . .
F4 F 0.1862(3) 0.57673(17) 0.33260(16) 0.0760(9) Uani 1 1 d . . . . .
N16 N 0.8198(2) 0.06284(16) -0.01476(15) 0.0308(6) Uani 1 1 d . . . . .
C44 C 0.66239(18) 0.19208(15) 0.23202(13) 0.0155(4) Uani 1 1 d . . . . .
C43 C 0.57123(19) 0.16367(15) 0.22132(13) 0.0162(5) Uani 1 1 d . . . . .
C6 C 0.64754(18) 0.79007(15) 0.24837(13) 0.0150(4) Uani 1 1 d . . . . .
N8 N 0.82364(18) 0.85698(14) 0.47497(13) 0.0224(5) Uani 1 1 d . . . . .
C48 C 0.79859(19) 0.26521(15) 0.16569(14) 0.0167(5) Uani 1 1 d . . . . .
C64 C 0.48634(19) 0.37019(15) 0.02764(14) 0.0169(5) Uani 1 1 d . . . . .
C15 C 0.80375(19) 0.57516(16) 0.48363(14) 0.0189(5) Uani 1 1 d . . . . .
H15 H 0.7715 0.5806 0.5292 0.023 Uiso 1 1 calc R . . . .
F2 F 0.2329(2) 0.4883(2) 0.21251(18) 0.0850(10) Uani 1 1 d . . . . .
C65 C 0.5108(2) 0.32866(16) -0.02846(14) 0.0191(5) Uani 1 1 d . . . . .
F1 F 0.3014(2) 0.47417(17) 0.31506(19) 0.0762(9) Uani 1 1 d . . . . .
C73 C 0.7633(2) 0.13129(16) -0.00323(15) 0.0192(5) Uani 1 1 d . . . . .
C7 C 0.68692(19) 0.80499(16) 0.17499(14) 0.0173(5) Uani 1 1 d . . . . .
H7 H 0.6500 0.8434 0.1366 0.021 Uiso 1 1 calc R . . . .
C11 C 0.82635(18) 0.62625(16) 0.35440(14) 0.0165(5) Uani 1 1 d . . . . .
C22 C 0.5354(2) 0.60784(16) 0.36814(14) 0.0193(5) Uani 1 1 d . . . . .
H22 H 0.5845 0.6124 0.3263 0.023 Uiso 1 1 calc R . . . .
F20 F 0.4243(2) 0.93344(17) 0.53820(13) 0.0646(7) Uani 1 1 d . . . . .
F21 F 0.4632(2) 1.03431(16) 0.56651(13) 0.0656(7) Uani 1 1 d . . . . .
C26 C 0.48101(19) 0.63076(16) 0.48046(14) 0.0182(5) Uani 1 1 d . . . . .
F19 F 0.58526(19) 0.9399(2) 0.54575(14) 0.0910(12) Uani 1 1 d . . . . .
F5 F 0.2872(2) 0.59466(18) 0.2242(2) 0.0889(11) Uani 1 1 d . . . . .
C69 C 0.6389(2) 0.24202(16) -0.07368(14) 0.0190(5) Uani 1 1 d . . . . .
C61 C 0.4594(2) 0.44899(17) 0.13042(16) 0.0244(6) Uani 1 1 d . . . . .
H61 H 0.4514 0.4755 0.1664 0.029 Uiso 1 1 calc R . . . .
C27 C 0.5065(2) 0.66288(16) 0.53517(14) 0.0190(5) Uani 1 1 d . . . . .
C35 C 0.75654(19) 0.80959(16) 0.47155(15) 0.0184(5) Uani 1 1 d . . . . .
C53 C 0.81705(19) 0.35714(15) -0.03468(14) 0.0181(5) Uani 1 1 d . . . . .
H53 H 0.7813 0.3577 -0.0731 0.022 Uiso 1 1 calc R . . . .
C12 C 0.9035(2) 0.56199(17) 0.35305(15) 0.0212(5) Uani 1 1 d . . . . .
H12 H 0.9386 0.5591 0.3073 0.025 Uiso 1 1 calc R . . . .
C63 C 0.4010(2) 0.42768(17) 0.03012(16) 0.0232(5) Uani 1 1 d . . . . .
H63 H 0.3523 0.4401 -0.0038 0.028 Uiso 1 1 calc R . . . .
C49 C 0.83819(19) 0.31293(16) 0.09055(14) 0.0172(5) Uani 1 1 d . . . . .
C68 C 0.5867(2) 0.25839(18) -0.13532(15) 0.0258(6) Uani 1 1 d . . . . .
H68 H 0.6137 0.2342 -0.1723 0.031 Uiso 1 1 calc R . . . .
C42 C 0.5052(2) 0.12156(17) 0.27920(15) 0.0210(5) Uani 1 1 d . . . . .
H42 H 0.5163 0.1109 0.3289 0.025 Uiso 1 1 calc R . . . .
C32 C 0.7944(2) 0.73621(18) 0.59679(16) 0.0262(6) Uani 1 1 d . . . . .
H32A H 0.8647 0.7164 0.5802 0.031 Uiso 1 1 calc R . . . .
H32B H 0.7704 0.6931 0.6423 0.031 Uiso 1 1 calc R . . . .
C25 C 0.3965(2) 0.59148(18) 0.49011(16) 0.0241(6) Uani 1 1 d . . . . .
H25 H 0.3496 0.5852 0.5332 0.029 Uiso 1 1 calc R . . . .
C45 C 0.69765(19) 0.17957(15) 0.29895(14) 0.0173(5) Uani 1 1 d . . . . .
H45 H 0.6614 0.1507 0.3442 0.021 Uiso 1 1 calc R . . . .
C47 C 0.83788(19) 0.25241(16) 0.23131(14) 0.0182(5) Uani 1 1 d . . . . .
H47 H 0.8993 0.2725 0.2302 0.022 Uiso 1 1 calc R . . . .
C14 C 0.8788(2) 0.50922(17) 0.48448(15) 0.0225(5) Uani 1 1 d . . . . .
H14 H 0.8956 0.4691 0.5301 0.027 Uiso 1 1 calc R . . . .
C39 C 0.4774(2) 0.15221(16) 0.13542(15) 0.0200(5) Uani 1 1 d . . . . .
H39 H 0.4679 0.1619 0.0856 0.024 Uiso 1 1 calc R . . . .
C41 C 0.4232(2) 0.09520(18) 0.26391(16) 0.0249(6) Uani 1 1 d . . . . .
H41 H 0.3766 0.0672 0.3029 0.030 Uiso 1 1 calc R . . . .
C8 C 0.78160(19) 0.76288(16) 0.15805(14) 0.0174(5) Uani 1 1 d . . . . .
C13 C 0.9292(2) 0.50198(18) 0.41877(16) 0.0249(6) Uani 1 1 d . . . . .
H13 H 0.9805 0.4568 0.4186 0.030 Uiso 1 1 calc R . . . .
C4 C 0.47591(19) 0.87852(16) 0.23372(15) 0.0194(5) Uani 1 1 d . . . . .
H4 H 0.4869 0.8922 0.1816 0.023 Uiso 1 1 calc R . . . .
C3 C 0.3852(2) 0.90814(17) 0.26737(16) 0.0224(5) Uani 1 1 d . . . . .
H3 H 0.3330 0.9416 0.2384 0.027 Uiso 1 1 calc R . . . .
C50 C 0.9213(2) 0.35544(17) 0.07450(15) 0.0228(5) Uani 1 1 d . . . . .
H50 H 0.9568 0.3542 0.1133 0.027 Uiso 1 1 calc R . . . .
C74 C 0.7639(2) 0.06947(18) 0.12680(16) 0.0298(6) Uani 1 1 d . . . . .
H74A H 0.7053 0.0379 0.1429 0.036 Uiso 1 1 calc R . . . .
H74B H 0.7725 0.0887 0.1674 0.036 Uiso 1 1 calc R . . . .
C9 C 0.83110(19) 0.70331(16) 0.21543(14) 0.0175(5) Uani 1 1 d . . . . .
H9 H 0.8940 0.6726 0.2049 0.021 Uiso 1 1 calc R . . . .
C46 C 0.7865(2) 0.20979(16) 0.29906(14) 0.0184(5) Uani 1 1 d . . . . .
C34 C 0.8250(2) 0.88172(18) 0.53997(17) 0.0265(6) Uani 1 1 d . . . . .
H34A H 0.7789 0.9340 0.5352 0.032 Uiso 1 1 calc R . . . .
H34B H 0.8945 0.8919 0.5414 0.032 Uiso 1 1 calc R . . . .
C67 C 0.4963(3) 0.30969(19) -0.14112(16) 0.0298(6) Uani 1 1 d . . . . .
H67 H 0.4599 0.3205 -0.1821 0.036 Uiso 1 1 calc R . . . .
O1 O 0.1442(2) 0.39417(17) 0.09808(16) 0.0487(7) Uani 1 1 d . . . . .
C30 C 0.5818(2) 0.71459(18) 0.63187(15) 0.0241(6) Uani 1 1 d . . . . .
H30 H 0.6083 0.7327 0.6649 0.029 Uiso 1 1 calc R . . . .
C23 C 0.4527(2) 0.56852(18) 0.37491(16) 0.0248(6) Uani 1 1 d . . . . .
H23 H 0.4449 0.5466 0.3381 0.030 Uiso 1 1 calc R . . . .
C2 C 0.3715(2) 0.88868(16) 0.34314(15) 0.0220(5) Uani 1 1 d . . . . .
H2 H 0.3099 0.9085 0.3669 0.026 Uiso 1 1 calc R . . . .
C56 C 0.8544(2) 0.11467(18) 0.49440(15) 0.0257(6) Uani 1 1 d . . . . .
H56 H 0.8500 0.0643 0.5342 0.031 Uiso 1 1 calc R . . . .
C37 C 0.7859(2) 0.95131(17) 0.35420(16) 0.0243(6) Uani 1 1 d . . . . .
H37A H 0.7320 0.9846 0.3769 0.029 Uiso 1 1 calc R . . . .
H37B H 0.8145 0.9882 0.3064 0.029 Uiso 1 1 calc R . . . .
C40 C 0.4097(2) 0.11017(18) 0.19092(16) 0.0252(6) Uani 1 1 d . . . . .
H40 H 0.3545 0.0916 0.1794 0.030 Uiso 1 1 calc R . . . .
C52 C 0.8995(2) 0.40056(17) -0.05344(15) 0.0235(5) Uani 1 1 d . . . . .
H52 H 0.9193 0.4305 -0.1036 0.028 Uiso 1 1 calc R . . . .
C71 C 0.7825(3) 0.1094(2) -0.14548(18) 0.0325(7) Uani 1 1 d . . . . .
H71A H 0.7097 0.1076 -0.1466 0.039 Uiso 1 1 calc R . . . .
H71B H 0.8204 0.1050 -0.1923 0.039 Uiso 1 1 calc R . . . .
C55 C 0.8165(2) 0.12618(17) 0.42890(15) 0.0229(5) Uani 1 1 d . . . . .
H55 H 0.7849 0.0840 0.4245 0.028 Uiso 1 1 calc R . . . .
C66 C 0.4572(2) 0.34620(18) -0.08767(16) 0.0254(6) Uani 1 1 d . . . . .
H66 H 0.3950 0.3824 -0.0919 0.030 Uiso 1 1 calc R . . . .
C81 C 0.0743(3) 0.72563(19) 0.3695(2) 0.0346(7) Uani 1 1 d . . . . .
C28 C 0.4557(2) 0.65122(18) 0.60507(15) 0.0247(6) Uani 1 1 d . . . . .
H28 H 0.3961 0.6250 0.6201 0.030 Uiso 1 1 calc R . . . .
C20 C 0.9807(2) 0.80472(17) -0.00688(16) 0.0273(6) Uani 1 1 d . . . . .
H20 H 1.0516 0.8075 -0.0168 0.033 Uiso 1 1 calc R . . . .
C38 C 0.8687(2) 0.91055(18) 0.40491(17) 0.0252(6) Uani 1 1 d . . . . .
H38A H 0.9225 0.8776 0.3819 0.030 Uiso 1 1 calc R . . . .
H38B H 0.8996 0.9532 0.4135 0.030 Uiso 1 1 calc R . . . .
C36 C 0.7423(2) 0.88339(17) 0.34247(15) 0.0222(5) Uani 1 1 d . . . . .
H36A H 0.6762 0.9066 0.3225 0.027 Uiso 1 1 calc R . . . .
H36B H 0.7886 0.8642 0.3050 0.027 Uiso 1 1 calc R . . . .
C54 C 0.82452(19) 0.19889(17) 0.36961(14) 0.0196(5) Uani 1 1 d . . . . .
C24 C 0.3814(2) 0.56122(18) 0.43576(17) 0.0275(6) Uani 1 1 d . . . . .
H24 H 0.3226 0.5359 0.4406 0.033 Uiso 1 1 calc R . . . .
C16 C 0.8301(2) 0.78106(16) 0.08106(14) 0.0193(5) Uani 1 1 d . . . . .
C62 C 0.3874(2) 0.46662(18) 0.08224(17) 0.0265(6) Uani 1 1 d . . . . .
H62 H 0.3287 0.5054 0.0849 0.032 Uiso 1 1 calc R . . . .
C1 C 0.44901(19) 0.83975(16) 0.38415(14) 0.0182(5) Uani 1 1 d . . . . .
H1 H 0.4399 0.8276 0.4362 0.022 Uiso 1 1 calc R . . . .
C72 C 0.8227(3) 0.0395(2) -0.08089(19) 0.0348(7) Uani 1 1 d . . . . .
H72A H 0.7822 -0.0065 -0.0683 0.042 Uiso 1 1 calc R . . . .
H72B H 0.8938 0.0193 -0.0956 0.042 Uiso 1 1 calc R . . . .
C21 C 0.9342(2) 0.78386(17) 0.06572(15) 0.0229(5) Uani 1 1 d . . . . .
H21 H 0.9742 0.7714 0.1051 0.027 Uiso 1 1 calc R . . . .
C33 C 0.7921(3) 0.81551(19) 0.61228(17) 0.0309(7) Uani 1 1 d . . . . .
H33A H 0.8389 0.8068 0.6494 0.037 Uiso 1 1 calc R . . . .
H33B H 0.7227 0.8334 0.6320 0.037 Uiso 1 1 calc R . . . .
C70 C 0.7961(2) 0.1899(2) -0.13607(16) 0.0287(6) Uani 1 1 d . . . . .
H70A H 0.8687 0.1909 -0.1337 0.034 Uiso 1 1 calc R . . . .
H70B H 0.7729 0.2375 -0.1786 0.034 Uiso 1 1 calc R . . . .
C29 C 0.4941(2) 0.67882(18) 0.65296(15) 0.0268(6) Uani 1 1 d . . . . .
H29 H 0.4593 0.6728 0.7008 0.032 Uiso 1 1 calc R . . . .
C51 C 0.9527(2) 0.39975(18) 0.00208(17) 0.0262(6) Uani 1 1 d . . . . .
H51 H 1.0096 0.4290 -0.0093 0.031 Uiso 1 1 calc R . . . .
C59 C 0.8688(2) 0.26145(19) 0.37739(16) 0.0259(6) Uani 1 1 d . . . . .
H59 H 0.8742 0.3116 0.3374 0.031 Uiso 1 1 calc R . . . .
C18 C 0.8199(3) 0.8173(2) -0.04968(16) 0.0327(7) Uani 1 1 d . . . . .
H18 H 0.7809 0.8275 -0.0892 0.039 Uiso 1 1 calc R . . . .
C57 C 0.8987(2) 0.1768(2) 0.50168(16) 0.0286(6) Uani 1 1 d . . . . .
H57 H 0.9247 0.1689 0.5465 0.034 Uiso 1 1 calc R . . . .
C58 C 0.9050(2) 0.2502(2) 0.44378(17) 0.0311(6) Uani 1 1 d . . . . .
H58 H 0.9340 0.2932 0.4493 0.037 Uiso 1 1 calc R . . . .
C82 C 0.1853(3) 0.7363(2) 0.3609(2) 0.0470(9) Uani 1 1 d . . . . .
H82A H 0.2131 0.7074 0.4081 0.071 Uiso 1 1 calc GR . . . .
H82B H 0.1916 0.7952 0.3455 0.071 Uiso 1 1 calc GR . . . .
H82C H 0.2230 0.7133 0.3234 0.071 Uiso 1 1 calc GR . . . .
C79 C 0.0761(3) 0.3574(2) 0.2248(2) 0.0393(8) Uani 1 1 d . . . . .
H79A H 0.0179 0.3978 0.2059 0.059 Uiso 1 1 calc GR . . . .
H79B H 0.1045 0.3738 0.2600 0.059 Uiso 1 1 calc GR . . . .
H79C H 0.0540 0.3029 0.2497 0.059 Uiso 1 1 calc GR . . . .
C78 C 0.1557(3) 0.3539(2) 0.1620(2) 0.0363(7) Uani 1 1 d . . . . .
C19 C 0.9229(2) 0.82123(19) -0.06420(16) 0.0317(7) Uani 1 1 d . . . . .
H19 H 0.9543 0.8353 -0.1136 0.038 Uiso 1 1 calc R . . . .
C17 C 0.7725(2) 0.79842(19) 0.02252(16) 0.0279(6) Uani 1 1 d . . . . .
H17 H 0.7011 0.7974 0.0319 0.033 Uiso 1 1 calc R . . . .
C80 C 0.0226(3) 0.7634(2) 0.3007(2) 0.0382(7) Uani 1 1 d . . . . .
H80A H 0.0496 0.7327 0.2666 0.057 Uiso 1 1 calc GR . . . .
H80B H 0.0350 0.8210 0.2772 0.057 Uiso 1 1 calc GR . . . .
H80C H -0.0506 0.7613 0.3131 0.057 Uiso 1 1 calc GR . . . .
C76 C 0.8574(3) -0.0063(2) 0.0473(2) 0.0515(10) Uani 1 1 d . . . . .
H76A H 0.8151 -0.0511 0.0592 0.062 Uiso 1 1 calc R . . . .
H76B H 0.9278 -0.0277 0.0323 0.062 Uiso 1 1 calc R . . . .
C75 C 0.8567(3) 0.0144(2) 0.1125(2) 0.0519(10) Uani 1 1 d . . . . .
H75A H 0.9170 0.0419 0.1074 0.062 Uiso 1 1 calc R . . . .
H75B H 0.8619 -0.0371 0.1555 0.062 Uiso 1 1 calc R . . . .
C77 C 0.2517(3) 0.2960(2) 0.1826(2) 0.0481(9) Uani 1 1 d . . . . .
H77A H 0.2954 0.2936 0.1377 0.072 Uiso 1 1 calc GR . . . .
H77B H 0.2347 0.2407 0.2121 0.072 Uiso 1 1 calc GR . . . .
H77C H 0.2875 0.3160 0.2116 0.072 Uiso 1 1 calc GR . . . .


_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 N10 1.960(2) . ?
Ru2 N12 2.056(2) . ?
Ru2 N13 2.032(2) . ?
Ru2 N9 2.071(2) . ?
Ru2 N11 2.066(2) . ?
Ru2 N15 2.084(2) . ?
Ru1 N5 2.026(2) . ?
Ru1 N3 2.059(2) . ?
Ru1 N2 1.957(2) . ?
Ru1 N4 2.048(2) . ?
Ru1 N1 2.072(2) . ?
Ru1 N7 2.076(2) . ?
P4 F20 1.586(2) 2_676 ?
P4 F20 1.586(2) . ?
P4 F21 1.583(2) 2_676 ?
P4 F21 1.583(2) . ?
P4 F19 1.567(2) . ?
P4 F19 1.567(2) 2_676 ?
P3 F16 1.6028(18) . ?
P3 F17 1.6077(17) . ?
P3 F14 1.6075(18) . ?
P3 F13 1.6083(17) . ?
P3 F15 1.5896(18) . ?
P3 F18 1.5941(18) . ?
P5 F22 1.5988(18) . ?
P5 F22 1.5988(18) 2_655 ?
P5 F24 1.5984(18) . ?
P5 F24 1.5984(18) 2_655 ?
P5 F23 1.5950(19) . ?
P5 F23 1.5949(19) 2_655 ?
P1 F3 1.591(2) . ?
P1 F6 1.598(2) . ?
P1 F4 1.590(2) . ?
P1 F2 1.565(2) . ?
P1 F1 1.575(3) . ?
P1 F5 1.571(3) . ?
P2 F11 1.609(2) . ?
P2 F9 1.614(2) . ?
P2 F8 1.601(2) . ?
P2 F12 1.6035(19) . ?
P2 F10 1.586(2) . ?
P2 F7 1.578(2) . ?
N10 C44 1.352(3) . ?
N10 C48 1.350(3) . ?
N5 C31 1.345(3) . ?
N5 C27 1.375(3) . ?
N12 C60 1.350(3) . ?
N12 C64 1.358(3) . ?
N3 C15 1.354(3) . ?
N3 C11 1.374(3) . ?
N13 C65 1.381(3) . ?
N13 C69 1.333(3) . ?
N2 C10 1.352(3) . ?
N2 C6 1.353(3) . ?
N4 C22 1.354(3) . ?
N4 C26 1.361(3) . ?
N1 C5 1.377(3) . ?
N1 C1 1.341(3) . ?
N9 C43 1.378(3) . ?
N9 C39 1.345(3) . ?
N11 C53 1.346(3) . ?
N11 C49 1.377(3) . ?
N15 C73 1.304(3) . ?
N15 C74 1.470(3) . ?
N7 C35 1.311(3) . ?
N7 C36 1.480(3) . ?
N6 C31 1.407(3) . ?
N6 C35 1.389(3) . ?
N6 C32 1.479(3) . ?
N14 C73 1.401(4) . ?
N14 C69 1.406(3) . ?
N14 C70 1.470(3) . ?
C60 H60 0.9500 . ?
C60 C61 1.391(4) . ?
O2 C81 1.205(4) . ?
C5 C6 1.481(3) . ?
C5 C4 1.388(3) . ?
C10 C11 1.474(3) . ?
C10 C9 1.382(3) . ?
C31 C30 1.404(4) . ?
N16 C73 1.364(3) . ?
N16 C72 1.473(4) . ?
N16 C76 1.458(4) . ?
C44 C43 1.475(3) . ?
C44 C45 1.392(3) . ?
C43 C42 1.387(4) . ?
C6 C7 1.389(3) . ?
N8 C35 1.355(3) . ?
N8 C34 1.478(3) . ?
N8 C38 1.462(4) . ?
C48 C49 1.471(4) . ?
C48 C47 1.393(3) . ?
C64 C65 1.476(4) . ?
C64 C63 1.388(4) . ?
C15 H15 0.9500 . ?
C15 C14 1.384(4) . ?
C65 C66 1.375(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.402(3) . ?
C11 C12 1.388(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.376(4) . ?
C26 C27 1.476(4) . ?
C26 C25 1.386(4) . ?
C69 C68 1.407(4) . ?
C61 H61 0.9500 . ?
C61 C62 1.379(4) . ?
C27 C28 1.382(4) . ?
C53 H53 0.9500 . ?
C53 C52 1.385(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.388(4) . ?
C63 H63 0.9500 . ?
C63 C62 1.380(4) . ?
C49 C50 1.387(4) . ?
C68 H68 0.9500 . ?
C68 C67 1.368(4) . ?
C42 H42 0.9500 . ?
C42 C41 1.382(4) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.511(4) . ?
C25 H25 0.9500 . ?
C25 C24 1.395(4) . ?
C45 H45 0.9500 . ?
C45 C46 1.393(4) . ?
C47 H47 0.9500 . ?
C47 C46 1.403(4) . ?
C14 H14 0.9500 . ?
C14 C13 1.382(4) . ?
C39 H39 0.9500 . ?
C39 C40 1.377(4) . ?
C41 H41 0.9500 . ?
C41 C40 1.388(4) . ?
C8 C9 1.396(4) . ?
C8 C16 1.480(3) . ?
C13 H13 0.9500 . ?
C4 H4 0.9500 . ?
C4 C3 1.390(4) . ?
C3 H3 0.9500 . ?
C3 C2 1.381(4) . ?
C50 H50 0.9500 . ?
C50 C51 1.385(4) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C74 C75 1.483(5) . ?
C9 H9 0.9500 . ?
C46 C54 1.483(3) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C33 1.533(4) . ?
C67 H67 0.9500 . ?
C67 C66 1.389(4) . ?
O1 C78 1.215(4) . ?
C30 H30 0.9500 . ?
C30 C29 1.371(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.380(4) . ?
C2 H2 0.9500 . ?
C2 C1 1.389(4) . ?
C56 H56 0.9500 . ?
C56 C55 1.387(4) . ?
C56 C57 1.387(4) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C38 1.518(4) . ?
C37 C36 1.513(4) . ?
C40 H40 0.9500 . ?
C52 H52 0.9500 . ?
C52 C51 1.387(4) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C71 C72 1.506(5) . ?
C71 C70 1.525(4) . ?
C55 H55 0.9500 . ?
C55 C54 1.390(4) . ?
C66 H66 0.9500 . ?
C81 C82 1.514(5) . ?
C81 C80 1.494(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.391(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.397(4) . ?
C20 C19 1.383(4) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C54 C59 1.398(4) . ?
C24 H24 0.9500 . ?
C16 C21 1.390(4) . ?
C16 C17 1.398(4) . ?
C62 H62 0.9500 . ?
C1 H1 0.9500 . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C21 H21 0.9500 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C29 H29 0.9500 . ?
C51 H51 0.9500 . ?
C59 H59 0.9500 . ?
C59 C58 1.394(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.378(5) . ?
C18 C17 1.395(4) . ?
C57 H57 0.9500 . ?
C57 C58 1.383(4) . ?
C58 H58 0.9500 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C79 C78 1.498(5) . ?
C78 C77 1.505(5) . ?
C19 H19 0.9500 . ?
C17 H17 0.9500 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C76 C75 1.436(6) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 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
N10 Ru2 N12 96.19(8) . . ?
N10 Ru2 N13 175.40(8) . . ?
N10 Ru2 N9 79.73(8) . . ?
N10 Ru2 N11 79.65(9) . . ?
N10 Ru2 N15 95.10(8) . . ?
N12 Ru2 N9 86.30(8) . . ?
N12 Ru2 N11 95.57(8) . . ?
N12 Ru2 N15 166.61(8) . . ?
N13 Ru2 N12 79.22(9) . . ?
N13 Ru2 N9 100.02(8) . . ?
N13 Ru2 N11 100.50(8) . . ?
N13 Ru2 N15 89.48(9) . . ?
N9 Ru2 N15 88.65(8) . . ?
N11 Ru2 N9 159.38(8) . . ?
N11 Ru2 N15 93.53(8) . . ?
N5 Ru1 N3 99.91(8) . . ?
N5 Ru1 N4 79.31(9) . . ?
N5 Ru1 N1 100.39(8) . . ?
N5 Ru1 N7 89.46(9) . . ?
N3 Ru1 N1 159.00(8) . . ?
N3 Ru1 N7 93.95(8) . . ?
N2 Ru1 N5 176.59(8) . . ?
N2 Ru1 N3 79.87(8) . . ?
N2 Ru1 N4 97.31(8) . . ?
N2 Ru1 N1 79.55(8) . . ?
N2 Ru1 N7 93.95(8) . . ?
N4 Ru1 N3 94.63(8) . . ?
N4 Ru1 N1 83.87(8) . . ?
N4 Ru1 N7 166.89(8) . . ?
N1 Ru1 N7 91.61(8) . . ?
F20 P4 F20 180.0 2_676 . ?
F21 P4 F20 87.39(14) 2_676 2_676 ?
F21 P4 F20 92.61(14) 2_676 . ?
F21 P4 F20 87.39(14) . . ?
F21 P4 F20 92.61(14) . 2_676 ?
F21 P4 F21 180.0 . 2_676 ?
F19 P4 F20 90.39(17) 2_676 . ?
F19 P4 F20 89.61(17) 2_676 2_676 ?
F19 P4 F20 90.39(17) . 2_676 ?
F19 P4 F20 89.62(17) . . ?
F19 P4 F21 88.68(17) . . ?
F19 P4 F21 91.33(17) 2_676 . ?
F19 P4 F21 91.33(17) . 2_676 ?
F19 P4 F21 88.67(17) 2_676 2_676 ?
F19 P4 F19 180.0 . 2_676 ?
F16 P3 F17 89.70(10) . . ?
F16 P3 F14 178.90(11) . . ?
F16 P3 F13 90.08(10) . . ?
F17 P3 F13 89.04(9) . . ?
F14 P3 F17 89.38(10) . . ?
F14 P3 F13 89.30(10) . . ?
F15 P3 F16 90.45(10) . . ?
F15 P3 F17 178.65(11) . . ?
F15 P3 F14 90.46(10) . . ?
F15 P3 F13 89.62(10) . . ?
F15 P3 F18 91.11(11) . . ?
F18 P3 F16 90.33(11) . . ?
F18 P3 F17 90.23(10) . . ?
F18 P3 F14 90.27(11) . . ?
F18 P3 F13 179.16(11) . . ?
F22 P5 F22 180.0 2_655 . ?
F24 P5 F22 90.51(10) 2_655 . ?
F24 P5 F22 90.51(10) . 2_655 ?
F24 P5 F22 89.49(10) . . ?
F24 P5 F22 89.49(10) 2_655 2_655 ?
F24 P5 F24 180.0 . 2_655 ?
F23 P5 F22 90.08(11) 2_655 . ?
F23 P5 F22 89.92(11) 2_655 2_655 ?
F23 P5 F22 90.08(11) . 2_655 ?
F23 P5 F22 89.92(11) . . ?
F23 P5 F24 90.61(12) 2_655 2_655 ?
F23 P5 F24 89.39(12) 2_655 . ?
F23 P5 F24 89.39(12) . 2_655 ?
F23 P5 F24 90.61(12) . . ?
F23 P5 F23 180.0 2_655 . ?
F3 P1 F6 90.59(14) . . ?
F4 P1 F3 87.98(16) . . ?
F4 P1 F6 87.84(16) . . ?
F2 P1 F3 90.73(15) . . ?
F2 P1 F6 90.85(18) . . ?
F2 P1 F4 178.15(18) . . ?
F2 P1 F1 91.7(2) . . ?
F2 P1 F5 89.6(2) . . ?
F1 P1 F3 89.98(15) . . ?
F1 P1 F6 177.37(17) . . ?
F1 P1 F4 89.62(17) . . ?
F5 P1 F3 179.64(19) . . ?
F5 P1 F6 89.56(16) . . ?
F5 P1 F4 91.7(2) . . ?
F5 P1 F1 89.85(16) . . ?
F11 P2 F9 178.68(13) . . ?
F8 P2 F11 89.98(12) . . ?
F8 P2 F9 89.08(12) . . ?
F8 P2 F12 87.61(12) . . ?
F12 P2 F11 89.43(11) . . ?
F12 P2 F9 89.61(11) . . ?
F10 P2 F11 90.68(13) . . ?
F10 P2 F9 90.21(13) . . ?
F10 P2 F8 176.37(14) . . ?
F10 P2 F12 88.83(13) . . ?
F7 P2 F11 90.81(13) . . ?
F7 P2 F9 90.12(13) . . ?
F7 P2 F8 90.78(15) . . ?
F7 P2 F12 178.37(15) . . ?
F7 P2 F10 92.77(16) . . ?
C44 N10 Ru2 119.25(16) . . ?
C48 N10 Ru2 119.08(17) . . ?
C48 N10 C44 121.7(2) . . ?
C31 N5 Ru1 124.78(18) . . ?
C31 N5 C27 119.9(2) . . ?
C27 N5 Ru1 115.31(17) . . ?
C60 N12 Ru2 126.53(18) . . ?
C60 N12 C64 118.6(2) . . ?
C64 N12 Ru2 114.17(16) . . ?
C15 N3 Ru1 127.93(17) . . ?
C15 N3 C11 118.3(2) . . ?
C11 N3 Ru1 113.28(16) . . ?
C65 N13 Ru2 114.95(16) . . ?
C69 N13 Ru2 125.05(18) . . ?
C69 N13 C65 120.0(2) . . ?
C10 N2 Ru1 118.75(17) . . ?
C10 N2 C6 121.7(2) . . ?
C6 N2 Ru1 119.51(16) . . ?
C22 N4 Ru1 126.15(18) . . ?
C22 N4 C26 118.7(2) . . ?
C26 N4 Ru1 114.22(17) . . ?
C5 N1 Ru1 113.32(16) . . ?
C1 N1 Ru1 127.53(18) . . ?
C1 N1 C5 118.6(2) . . ?
C43 N9 Ru2 112.88(16) . . ?
C39 N9 Ru2 128.90(18) . . ?
C39 N9 C43 118.2(2) . . ?
C53 N11 Ru2 128.76(17) . . ?
C53 N11 C49 118.0(2) . . ?
C49 N11 Ru2 113.25(17) . . ?
C73 N15 Ru2 122.33(18) . . ?
C73 N15 C74 117.9(2) . . ?
C74 N15 Ru2 119.20(17) . . ?
C35 N7 Ru1 122.03(18) . . ?
C35 N7 C36 119.2(2) . . ?
C36 N7 Ru1 118.55(16) . . ?
C31 N6 C32 117.8(2) . . ?
C35 N6 C31 125.6(2) . . ?
C35 N6 C32 114.5(2) . . ?
C73 N14 C69 124.0(2) . . ?
C73 N14 C70 114.9(2) . . ?
C69 N14 C70 117.0(2) . . ?
N12 C60 H60 118.8 . . ?
N12 C60 C61 122.5(2) . . ?
C61 C60 H60 118.8 . . ?
N1 C5 C6 114.7(2) . . ?
N1 C5 C4 121.3(2) . . ?
C4 C5 C6 124.0(2) . . ?
N2 C10 C11 112.7(2) . . ?
N2 C10 C9 120.1(2) . . ?
C9 C10 C11 127.2(2) . . ?
N5 C31 N6 117.6(2) . . ?
N5 C31 C30 120.6(2) . . ?
C30 C31 N6 121.7(2) . . ?
C73 N16 C72 125.0(3) . . ?
C73 N16 C76 120.2(3) . . ?
C76 N16 C72 112.4(3) . . ?
N10 C44 C43 112.7(2) . . ?
N10 C44 C45 120.5(2) . . ?
C45 C44 C43 126.9(2) . . ?
N9 C43 C44 115.3(2) . . ?
N9 C43 C42 121.4(2) . . ?
C42 C43 C44 123.3(2) . . ?
N2 C6 C5 112.5(2) . . ?
N2 C6 C7 120.0(2) . . ?
C7 C6 C5 127.5(2) . . ?
C35 N8 C34 123.3(2) . . ?
C35 N8 C38 117.1(2) . . ?
C38 N8 C34 115.5(2) . . ?
N10 C48 C49 113.0(2) . . ?
N10 C48 C47 119.8(2) . . ?
C47 C48 C49 127.2(2) . . ?
N12 C64 C65 115.0(2) . . ?
N12 C64 C63 121.3(2) . . ?
C63 C64 C65 123.7(2) . . ?
N3 C15 H15 119.0 . . ?
N3 C15 C14 122.0(2) . . ?
C14 C15 H15 119.0 . . ?
N13 C65 C64 113.8(2) . . ?
C66 C65 N13 121.2(2) . . ?
C66 C65 C64 124.8(2) . . ?
N15 C73 N14 120.8(2) . . ?
N15 C73 N16 124.1(3) . . ?
N16 C73 N14 114.9(2) . . ?
C6 C7 H7 120.3 . . ?
C6 C7 C8 119.4(2) . . ?
C8 C7 H7 120.3 . . ?
N3 C11 C10 114.8(2) . . ?
N3 C11 C12 121.3(2) . . ?
C12 C11 C10 123.8(2) . . ?
N4 C22 H22 118.9 . . ?
N4 C22 C23 122.3(2) . . ?
C23 C22 H22 118.9 . . ?
N4 C26 C27 114.7(2) . . ?
N4 C26 C25 121.3(2) . . ?
C25 C26 C27 124.0(2) . . ?
N13 C69 N14 117.5(2) . . ?
N13 C69 C68 120.7(3) . . ?
N14 C69 C68 121.7(2) . . ?
C60 C61 H61 120.8 . . ?
C62 C61 C60 118.4(3) . . ?
C62 C61 H61 120.8 . . ?
N5 C27 C26 113.7(2) . . ?
N5 C27 C28 121.2(2) . . ?
C28 C27 C26 124.9(3) . . ?
N7 C35 N6 121.2(2) . . ?
N7 C35 N8 124.1(3) . . ?
N8 C35 N6 114.4(2) . . ?
N11 C53 H53 118.4 . . ?
N11 C53 C52 123.1(2) . . ?
C52 C53 H53 118.4 . . ?
C11 C12 H12 120.1 . . ?
C13 C12 C11 119.7(2) . . ?
C13 C12 H12 120.1 . . ?
C64 C63 H63 120.3 . . ?
C62 C63 C64 119.4(3) . . ?
C62 C63 H63 120.3 . . ?
N11 C49 C48 114.9(2) . . ?
N11 C49 C50 121.0(2) . . ?
C50 C49 C48 124.0(2) . . ?
C69 C68 H68 120.5 . . ?
C67 C68 C69 119.0(3) . . ?
C67 C68 H68 120.5 . . ?
C43 C42 H42 120.3 . . ?
C41 C42 C43 119.3(2) . . ?
C41 C42 H42 120.3 . . ?
N6 C32 H32A 109.9 . . ?
N6 C32 H32B 109.9 . . ?
N6 C32 C33 109.1(2) . . ?
H32A C32 H32B 108.3 . . ?
C33 C32 H32A 109.9 . . ?
C33 C32 H32B 109.9 . . ?
C26 C25 H25 120.4 . . ?
C26 C25 C24 119.2(3) . . ?
C24 C25 H25 120.4 . . ?
C44 C45 H45 120.3 . . ?
C44 C45 C46 119.4(2) . . ?
C46 C45 H45 120.3 . . ?
C48 C47 H47 120.1 . . ?
C48 C47 C46 119.9(2) . . ?
C46 C47 H47 120.1 . . ?
C15 C14 H14 120.1 . . ?
C13 C14 C15 119.8(2) . . ?
C13 C14 H14 120.1 . . ?
N9 C39 H39 118.7 . . ?
N9 C39 C40 122.6(2) . . ?
C40 C39 H39 118.7 . . ?
C42 C41 H41 120.4 . . ?
C42 C41 C40 119.2(3) . . ?
C40 C41 H41 120.4 . . ?
C7 C8 C16 121.3(2) . . ?
C9 C8 C7 118.9(2) . . ?
C9 C8 C16 119.8(2) . . ?
C12 C13 H13 120.6 . . ?
C14 C13 C12 118.7(2) . . ?
C14 C13 H13 120.6 . . ?
C5 C4 H4 120.5 . . ?
C5 C4 C3 119.0(2) . . ?
C3 C4 H4 120.5 . . ?
C4 C3 H3 120.2 . . ?
C2 C3 C4 119.6(2) . . ?
C2 C3 H3 120.2 . . ?
C49 C50 H50 119.9 . . ?
C51 C50 C49 120.2(3) . . ?
C51 C50 H50 119.9 . . ?
N15 C74 H74A 109.2 . . ?
N15 C74 H74B 109.2 . . ?
N15 C74 C75 112.1(3) . . ?
H74A C74 H74B 107.9 . . ?
C75 C74 H74A 109.2 . . ?
C75 C74 H74B 109.2 . . ?
C10 C9 C8 119.7(2) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C45 C46 C47 118.8(2) . . ?
C45 C46 C54 120.5(2) . . ?
C47 C46 C54 120.7(2) . . ?
N8 C34 H34A 109.2 . . ?
N8 C34 H34B 109.2 . . ?
N8 C34 C33 111.9(2) . . ?
H34A C34 H34B 107.9 . . ?
C33 C34 H34A 109.2 . . ?
C33 C34 H34B 109.2 . . ?
C68 C67 H67 119.7 . . ?
C68 C67 C66 120.7(3) . . ?
C66 C67 H67 119.7 . . ?
C31 C30 H30 120.5 . . ?
C29 C30 C31 119.1(3) . . ?
C29 C30 H30 120.5 . . ?
C22 C23 H23 120.4 . . ?
C22 C23 C24 119.2(3) . . ?
C24 C23 H23 120.4 . . ?
C3 C2 H2 120.5 . . ?
C3 C2 C1 119.0(2) . . ?
C1 C2 H2 120.5 . . ?
C55 C56 H56 120.0 . . ?
C57 C56 H56 120.0 . . ?
C57 C56 C55 119.9(3) . . ?
H37A C37 H37B 108.5 . . ?
C38 C37 H37A 110.2 . . ?
C38 C37 H37B 110.2 . . ?
C36 C37 H37A 110.2 . . ?
C36 C37 H37B 110.2 . . ?
C36 C37 C38 107.5(2) . . ?
C39 C40 C41 119.2(3) . . ?
C39 C40 H40 120.4 . . ?
C41 C40 H40 120.4 . . ?
C53 C52 H52 120.5 . . ?
C53 C52 C51 119.0(3) . . ?
C51 C52 H52 120.5 . . ?
H71A C71 H71B 108.5 . . ?
C72 C71 H71A 110.2 . . ?
C72 C71 H71B 110.2 . . ?
C72 C71 C70 107.5(3) . . ?
C70 C71 H71A 110.2 . . ?
C70 C71 H71B 110.2 . . ?
C56 C55 H55 119.7 . . ?
C56 C55 C54 120.6(3) . . ?
C54 C55 H55 119.7 . . ?
C65 C66 C67 118.4(3) . . ?
C65 C66 H66 120.8 . . ?
C67 C66 H66 120.8 . . ?
O2 C81 C82 124.9(4) . . ?
O2 C81 C80 119.6(3) . . ?
C80 C81 C82 115.5(3) . . ?
C27 C28 H28 120.8 . . ?
C27 C28 C29 118.4(3) . . ?
C29 C28 H28 120.8 . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C19 C20 C21 119.7(3) . . ?
N8 C38 C37 108.7(2) . . ?
N8 C38 H38A 110.0 . . ?
N8 C38 H38B 110.0 . . ?
C37 C38 H38A 110.0 . . ?
C37 C38 H38B 110.0 . . ?
H38A C38 H38B 108.3 . . ?
N7 C36 C37 114.2(2) . . ?
N7 C36 H36A 108.7 . . ?
N7 C36 H36B 108.7 . . ?
C37 C36 H36A 108.7 . . ?
C37 C36 H36B 108.7 . . ?
H36A C36 H36B 107.6 . . ?
C55 C54 C46 120.3(2) . . ?
C55 C54 C59 119.2(2) . . ?
C59 C54 C46 120.5(2) . . ?
C25 C24 H24 120.4 . . ?
C23 C24 C25 119.2(3) . . ?
C23 C24 H24 120.4 . . ?
C21 C16 C8 119.9(2) . . ?
C21 C16 C17 118.9(2) . . ?
C17 C16 C8 121.2(2) . . ?
C61 C62 C63 119.7(3) . . ?
C61 C62 H62 120.1 . . ?
C63 C62 H62 120.1 . . ?
N1 C1 C2 122.4(2) . . ?
N1 C1 H1 118.8 . . ?
C2 C1 H1 118.8 . . ?
N16 C72 C71 113.5(2) . . ?
N16 C72 H72A 108.9 . . ?
N16 C72 H72B 108.9 . . ?
C71 C72 H72A 108.9 . . ?
C71 C72 H72B 108.9 . . ?
H72A C72 H72B 107.7 . . ?
C20 C21 H21 119.6 . . ?
C16 C21 C20 120.8(3) . . ?
C16 C21 H21 119.6 . . ?
C32 C33 C34 108.5(2) . . ?
C32 C33 H33A 110.0 . . ?
C32 C33 H33B 110.0 . . ?
C34 C33 H33A 110.0 . . ?
C34 C33 H33B 110.0 . . ?
H33A C33 H33B 108.4 . . ?
N14 C70 C71 108.3(2) . . ?
N14 C70 H70A 110.0 . . ?
N14 C70 H70B 110.0 . . ?
C71 C70 H70A 110.0 . . ?
C71 C70 H70B 110.0 . . ?
H70A C70 H70B 108.4 . . ?
C30 C29 C28 120.7(3) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C50 C51 C52 118.7(3) . . ?
C50 C51 H51 120.7 . . ?
C52 C51 H51 120.7 . . ?
C54 C59 H59 120.0 . . ?
C58 C59 C54 120.0(3) . . ?
C58 C59 H59 120.0 . . ?
C19 C18 H18 119.7 . . ?
C19 C18 C17 120.6(3) . . ?
C17 C18 H18 119.7 . . ?
C56 C57 H57 120.0 . . ?
C58 C57 C56 120.1(3) . . ?
C58 C57 H57 120.0 . . ?
C59 C58 H58 119.9 . . ?
C57 C58 C59 120.1(3) . . ?
C57 C58 H58 119.9 . . ?
C81 C82 H82A 109.5 . . ?
C81 C82 H82B 109.5 . . ?
C81 C82 H82C 109.5 . . ?
H82A C82 H82B 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C78 C79 H79A 109.5 . . ?
C78 C79 H79B 109.5 . . ?
C78 C79 H79C 109.5 . . ?
O1 C78 C79 122.9(3) . . ?
O1 C78 C77 121.3(4) . . ?
C79 C78 C77 115.8(3) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 C20 120.1(3) . . ?
C18 C19 H19 120.0 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 119.9(3) . . ?
C18 C17 H17 120.0 . . ?
C81 C80 H80A 109.5 . . ?
C81 C80 H80B 109.5 . . ?
C81 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
N16 C76 H76A 108.8 . . ?
N16 C76 H76B 108.8 . . ?
H76A C76 H76B 107.7 . . ?
C75 C76 N16 113.9(3) . . ?
C75 C76 H76A 108.8 . . ?
C75 C76 H76B 108.8 . . ?
C74 C75 H75A 109.0 . . ?
C74 C75 H75B 109.0 . . ?
C76 C75 C74 112.9(3) . . ?
C76 C75 H75A 109.0 . . ?
C76 C75 H75B 109.0 . . ?
H75A C75 H75B 107.8 . . ?
C78 C77 H77A 109.5 . . ?
C78 C77 H77B 109.5 . . ?
C78 C77 H77C 109.5 . . ?
H77A C77 H77B 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 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 N10 C44 C43 0.1(3) . . . . ?
Ru2 N10 C44 C45 179.84(17) . . . . ?
Ru2 N10 C48 C49 3.4(3) . . . . ?
Ru2 N10 C48 C47 -178.32(18) . . . . ?
Ru2 N12 C60 C61 -167.2(2) . . . . ?
Ru2 N12 C64 C65 -14.0(3) . . . . ?
Ru2 N12 C64 C63 169.1(2) . . . . ?
Ru2 N13 C65 C64 10.8(3) . . . . ?
Ru2 N13 C65 C66 -175.2(2) . . . . ?
Ru2 N13 C69 N14 -8.6(3) . . . . ?
Ru2 N13 C69 C68 175.16(19) . . . . ?
Ru2 N9 C43 C44 -5.0(3) . . . . ?
Ru2 N9 C43 C42 176.44(19) . . . . ?
Ru2 N9 C39 C40 -176.1(2) . . . . ?
Ru2 N11 C53 C52 177.29(19) . . . . ?
Ru2 N11 C49 C48 1.3(3) . . . . ?
Ru2 N11 C49 C50 -177.62(19) . . . . ?
Ru2 N15 C73 N14 2.8(4) . . . . ?
Ru2 N15 C73 N16 177.0(2) . . . . ?
Ru2 N15 C74 C75 -153.4(3) . . . . ?
Ru1 N5 C31 N6 -10.0(3) . . . . ?
Ru1 N5 C31 C30 174.33(19) . . . . ?
Ru1 N5 C27 C26 9.1(3) . . . . ?
Ru1 N5 C27 C28 -175.3(2) . . . . ?
Ru1 N3 C15 C14 167.64(19) . . . . ?
Ru1 N3 C11 C10 5.7(3) . . . . ?
Ru1 N3 C11 C12 -170.3(2) . . . . ?
Ru1 N2 C10 C11 7.9(3) . . . . ?
Ru1 N2 C10 C9 -173.57(18) . . . . ?
Ru1 N2 C6 C5 -5.1(3) . . . . ?
Ru1 N2 C6 C7 174.86(17) . . . . ?
Ru1 N4 C22 C23 -165.8(2) . . . . ?
Ru1 N4 C26 C27 -14.4(3) . . . . ?
Ru1 N4 C26 C25 167.3(2) . . . . ?
Ru1 N1 C5 C6 -6.0(3) . . . . ?
Ru1 N1 C5 C4 171.87(19) . . . . ?
Ru1 N1 C1 C2 -169.48(19) . . . . ?
Ru1 N7 C35 N6 -7.0(3) . . . . ?
Ru1 N7 C35 N8 166.56(19) . . . . ?
Ru1 N7 C36 C37 171.55(18) . . . . ?
N10 C44 C43 N9 3.3(3) . . . . ?
N10 C44 C43 C42 -178.1(2) . . . . ?
N10 C44 C45 C46 -0.6(4) . . . . ?
N10 C48 C49 N11 -3.0(3) . . . . ?
N10 C48 C49 C50 175.9(2) . . . . ?
N10 C48 C47 C46 -2.4(4) . . . . ?
N5 C31 C30 C29 2.7(4) . . . . ?
N5 C27 C28 C29 -0.8(4) . . . . ?
N12 C60 C61 C62 -1.4(4) . . . . ?
N12 C64 C65 N13 2.3(3) . . . . ?
N12 C64 C65 C66 -171.5(3) . . . . ?
N12 C64 C63 C62 0.2(4) . . . . ?
N3 C15 C14 C13 2.3(4) . . . . ?
N3 C11 C12 C13 0.5(4) . . . . ?
N13 C65 C66 C67 -1.4(4) . . . . ?
N13 C69 C68 C67 1.2(4) . . . . ?
N2 C10 C11 N3 -8.7(3) . . . . ?
N2 C10 C11 C12 167.1(2) . . . . ?
N2 C10 C9 C8 -1.9(4) . . . . ?
N2 C6 C7 C8 -0.7(4) . . . . ?
N4 C22 C23 C24 -0.4(4) . . . . ?
N4 C26 C27 N5 3.6(3) . . . . ?
N4 C26 C27 C28 -171.7(2) . . . . ?
N4 C26 C25 C24 0.0(4) . . . . ?
N1 C5 C6 N2 7.1(3) . . . . ?
N1 C5 C6 C7 -172.8(2) . . . . ?
N1 C5 C4 C3 -0.8(4) . . . . ?
N9 C43 C42 C41 0.3(4) . . . . ?
N9 C39 C40 C41 -0.4(4) . . . . ?
N11 C53 C52 C51 0.4(4) . . . . ?
N11 C49 C50 C51 -0.4(4) . . . . ?
N15 C74 C75 C76 -49.9(5) . . . . ?
N6 C31 C30 C29 -172.7(2) . . . . ?
N6 C32 C33 C34 -57.1(3) . . . . ?
N14 C69 C68 C67 -175.0(3) . . . . ?
C60 N12 C64 C65 175.0(2) . . . . ?
C60 N12 C64 C63 -1.9(4) . . . . ?
C60 C61 C62 C63 -0.4(4) . . . . ?
C5 N1 C1 C2 1.7(4) . . . . ?
C5 C6 C7 C8 179.2(2) . . . . ?
C5 C4 C3 C2 1.1(4) . . . . ?
C10 N2 C6 C5 176.2(2) . . . . ?
C10 N2 C6 C7 -3.9(3) . . . . ?
C10 C11 C12 C13 -175.1(2) . . . . ?
C31 N5 C27 C26 -171.2(2) . . . . ?
C31 N5 C27 C28 4.3(4) . . . . ?
C31 N6 C35 N7 -38.5(4) . . . . ?
C31 N6 C35 N8 147.3(2) . . . . ?
C31 N6 C32 C33 -103.2(3) . . . . ?
C31 C30 C29 C28 0.9(4) . . . . ?
N16 C76 C75 C74 41.1(6) . . . . ?
C44 N10 C48 C49 -176.2(2) . . . . ?
C44 N10 C48 C47 2.1(4) . . . . ?
C44 C43 C42 C41 -178.1(2) . . . . ?
C44 C45 C46 C47 0.2(4) . . . . ?
C44 C45 C46 C54 178.7(2) . . . . ?
C43 N9 C39 C40 1.9(4) . . . . ?
C43 C44 C45 C46 179.1(2) . . . . ?
C43 C42 C41 C40 1.1(4) . . . . ?
C6 N2 C10 C11 -173.3(2) . . . . ?
C6 N2 C10 C9 5.2(4) . . . . ?
C6 C5 C4 C3 176.8(2) . . . . ?
C6 C7 C8 C9 3.8(4) . . . . ?
C6 C7 C8 C16 -175.5(2) . . . . ?
N8 C34 C33 C32 14.5(3) . . . . ?
C48 N10 C44 C43 179.7(2) . . . . ?
C48 N10 C44 C45 -0.5(3) . . . . ?
C48 C49 C50 C51 -179.2(3) . . . . ?
C48 C47 C46 C45 1.3(4) . . . . ?
C48 C47 C46 C54 -177.2(2) . . . . ?
C64 N12 C60 C61 2.5(4) . . . . ?
C64 C65 C66 C67 172.0(3) . . . . ?
C64 C63 C62 C61 1.0(4) . . . . ?
C15 N3 C11 C10 178.3(2) . . . . ?
C15 N3 C11 C12 2.3(4) . . . . ?
C15 C14 C13 C12 0.5(4) . . . . ?
C65 N13 C69 N14 172.9(2) . . . . ?
C65 N13 C69 C68 -3.4(4) . . . . ?
C65 C64 C63 C62 -176.4(3) . . . . ?
C73 N15 C74 C75 35.3(4) . . . . ?
C73 N14 C69 N13 50.1(3) . . . . ?
C73 N14 C69 C68 -133.7(3) . . . . ?
C73 N14 C70 C71 60.8(3) . . . . ?
C73 N16 C72 C71 17.1(5) . . . . ?
C73 N16 C76 C75 -17.8(5) . . . . ?
C7 C8 C9 C10 -2.5(4) . . . . ?
C7 C8 C16 C21 139.7(3) . . . . ?
C7 C8 C16 C17 -38.1(4) . . . . ?
C11 N3 C15 C14 -3.7(4) . . . . ?
C11 C10 C9 C8 176.4(2) . . . . ?
C11 C12 C13 C14 -1.9(4) . . . . ?
C22 N4 C26 C27 175.7(2) . . . . ?
C22 N4 C26 C25 -2.5(4) . . . . ?
C22 C23 C24 C25 -2.1(4) . . . . ?
C26 N4 C22 C23 2.7(4) . . . . ?
C26 C27 C28 C29 174.3(3) . . . . ?
C26 C25 C24 C23 2.3(4) . . . . ?
C69 N13 C65 C64 -170.5(2) . . . . ?
C69 N13 C65 C66 3.5(4) . . . . ?
C69 N14 C73 N15 -47.2(4) . . . . ?
C69 N14 C73 N16 138.2(3) . . . . ?
C69 N14 C70 C71 -97.2(3) . . . . ?
C69 C68 C67 C66 1.0(4) . . . . ?
C27 N5 C31 N6 170.3(2) . . . . ?
C27 N5 C31 C30 -5.3(4) . . . . ?
C27 C26 C25 C24 -178.0(3) . . . . ?
C27 C28 C29 C30 -1.8(4) . . . . ?
C35 N7 C36 C37 -3.9(3) . . . . ?
C35 N6 C31 N5 48.0(3) . . . . ?
C35 N6 C31 C30 -136.4(3) . . . . ?
C35 N6 C32 C33 61.3(3) . . . . ?
C35 N8 C34 C33 32.5(4) . . . . ?
C35 N8 C38 C37 43.1(3) . . . . ?
C53 N11 C49 C48 179.6(2) . . . . ?
C53 N11 C49 C50 0.7(4) . . . . ?
C53 C52 C51 C50 0.0(4) . . . . ?
C63 C64 C65 N13 179.1(2) . . . . ?
C63 C64 C65 C66 5.3(4) . . . . ?
C49 N11 C53 C52 -0.8(4) . . . . ?
C49 C48 C47 C46 175.6(2) . . . . ?
C49 C50 C51 C52 0.0(4) . . . . ?
C68 C67 C66 C65 -0.8(4) . . . . ?
C42 C41 C40 C39 -1.1(4) . . . . ?
C32 N6 C31 N5 -149.4(2) . . . . ?
C32 N6 C31 C30 26.2(3) . . . . ?
C32 N6 C35 N7 158.4(2) . . . . ?
C32 N6 C35 N8 -15.8(3) . . . . ?
C25 C26 C27 N5 -178.2(2) . . . . ?
C25 C26 C27 C28 6.4(4) . . . . ?
C45 C44 C43 N9 -176.4(2) . . . . ?
C45 C44 C43 C42 2.2(4) . . . . ?
C45 C46 C54 C55 37.8(4) . . . . ?
C45 C46 C54 C59 -142.2(3) . . . . ?
C47 C48 C49 N11 178.9(2) . . . . ?
C47 C48 C49 C50 -2.2(4) . . . . ?
C47 C46 C54 C55 -143.7(3) . . . . ?
C47 C46 C54 C59 36.3(4) . . . . ?
C39 N9 C43 C44 176.8(2) . . . . ?
C39 N9 C43 C42 -1.8(4) . . . . ?
C8 C16 C21 C20 -177.0(2) . . . . ?
C8 C16 C17 C18 178.5(3) . . . . ?
C4 C5 C6 N2 -170.6(2) . . . . ?
C4 C5 C6 C7 9.5(4) . . . . ?
C4 C3 C2 C1 0.0(4) . . . . ?
C3 C2 C1 N1 -1.5(4) . . . . ?
C74 N15 C73 N14 173.8(2) . . . . ?
C74 N15 C73 N16 -12.1(4) . . . . ?
C9 C10 C11 N3 172.9(2) . . . . ?
C9 C10 C11 C12 -11.3(4) . . . . ?
C9 C8 C16 C21 -39.6(4) . . . . ?
C9 C8 C16 C17 142.6(3) . . . . ?
C46 C54 C59 C58 -179.5(3) . . . . ?
C34 N8 C35 N7 153.3(3) . . . . ?
C34 N8 C35 N6 -32.7(4) . . . . ?
C34 N8 C38 C37 -114.9(3) . . . . ?
C56 C55 C54 C46 178.3(2) . . . . ?
C56 C55 C54 C59 -1.7(4) . . . . ?
C56 C57 C58 C59 -1.3(5) . . . . ?
C55 C56 C57 C58 0.1(5) . . . . ?
C55 C54 C59 C58 0.5(4) . . . . ?
C38 N8 C35 N7 -2.9(4) . . . . ?
C38 N8 C35 N6 171.1(2) . . . . ?
C38 N8 C34 C33 -171.0(2) . . . . ?
C38 C37 C36 N7 41.8(3) . . . . ?
C36 N7 C35 N6 168.2(2) . . . . ?
C36 N7 C35 N8 -18.2(4) . . . . ?
C36 C37 C38 N8 -60.2(3) . . . . ?
C54 C59 C58 C57 1.0(5) . . . . ?
C16 C8 C9 C10 176.8(2) . . . . ?
C1 N1 C5 C6 -178.4(2) . . . . ?
C1 N1 C5 C4 -0.5(4) . . . . ?
C72 N16 C73 N15 163.2(3) . . . . ?
C72 N16 C73 N14 -22.4(4) . . . . ?
C72 N16 C76 C75 179.3(4) . . . . ?
C72 C71 C70 N14 -61.9(3) . . . . ?
C21 C20 C19 C18 0.2(5) . . . . ?
C21 C16 C17 C18 0.7(4) . . . . ?
C70 N14 C73 N15 156.6(2) . . . . ?
C70 N14 C73 N16 -18.1(3) . . . . ?
C70 N14 C69 N13 -154.1(2) . . . . ?
C70 N14 C69 C68 22.1(4) . . . . ?
C70 C71 C72 N16 25.6(4) . . . . ?
C57 C56 C55 C54 1.4(4) . . . . ?
C19 C20 C21 C16 -1.3(4) . . . . ?
C19 C18 C17 C16 -1.8(5) . . . . ?
C17 C16 C21 C20 0.9(4) . . . . ?
C17 C18 C19 C20 1.4(5) . . . . ?
C76 N16 C73 N15 2.6(5) . . . . ?
C76 N16 C73 N14 177.1(3) . . . . ?
C76 N16 C72 C71 178.9(3) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.6209(5)
2 0.3791(5)

####################################################################### 
# 
# 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_bala71_0m
_database_code_depnum_ccdc_archive 'CCDC 1472079'
_audit_update_record             
;
2016-04-04 deposited with the CCDC.
2016-07-12 downloaded from the CCDC.
;
_audit_creation_date             2016-04-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
#==============================================================================
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H42 N10 Ru, 2(F6 P), C2 H3 N'
_chemical_formula_sum            'C44 H45 F12 N11 P2 Ru'
_chemical_formula_weight         1118.92
_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'
F F 0.0727 0.0534 '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'
P P 0.2955 0.4335 '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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   22.1907(6)
_cell_length_b                   8.1133(2)
_cell_length_c                   24.9115(6)
_cell_angle_alpha                90
_cell_angle_beta                 104.456(2)
_cell_angle_gamma                90
_cell_volume                     4343.06(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9960
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      72.12
_cell_measurement_theta_min      3.66
_shelx_estimated_absorpt_T_max   144.245
_shelx_estimated_absorpt_T_min   7.329
_exptl_absorpt_coefficient_mu    4.524
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.5771
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.1119 before and 0.0745 after correction.
The Ratio of minimum to maximum transmission is 0.7658.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2272
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1017
_diffrn_reflns_av_unetI/netI     0.0419
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            105462
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.590
_diffrn_reflns_theta_min         2.056
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6926
_reflns_number_total             8562
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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         1.559
_refine_diff_density_min         -0.586
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     632
_refine_ls_number_reflns         8562
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0621
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0790P)²+13.2320P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1554
_refine_ls_wR_factor_ref         0.1659
_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.a Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C39(H39A,H39B), C40(H40A,H40B), C38(H38A,H38B), C41(H41A,
 H41B), C17(H17A,H17B), C36(H36A,H36B), C37(H37A,H37B), C16(H16A,H16B),
 C18(H18A,H18B), C15(H15A,H15B), C19(H19A,H19B)
2.b Aromatic/amide H refined with riding coordinates:
 C32(H32), C4(H4), C13(H13), C12(H12), C29(H29), C11(H11), C3(H3), C2(H2),
 C23(H23), C34(H34), C6(H6), C8(H8), C25(H25), C24(H24), C33(H33), C28(H28),
 C7(H7), C27(H27)
2.c Idealised Me refined as rotating group:
 C01Y(H01A,H01B,H01C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.73699(2) 0.37267(4) 0.46370(2) 0.02973(12) Uani 1 1 d . . . . .
P2 P 0.40452(7) 0.0157(2) 0.30892(6) 0.0496(4) Uani 1 1 d . . . . .
P1 P 0.89347(8) 0.8515(2) 0.27568(6) 0.0527(4) Uani 1 1 d . . . . .
N10 N 0.74291(18) 0.2778(5) 0.38684(15) 0.0297(8) Uani 1 1 d . . . . .
F8 F 0.45609(18) -0.0244(5) 0.36498(15) 0.0650(10) Uani 1 1 d . . . . .
F1 F 0.88762(19) 0.9824(5) 0.32208(15) 0.0666(11) Uani 1 1 d . . . . .
N5 N 0.7778(2) 0.6010(5) 0.45610(17) 0.0368(9) Uani 1 1 d . . . . .
F3 F 0.8211(2) 0.8287(6) 0.25949(18) 0.0749(12) Uani 1 1 d . . . . .
F11 F 0.45482(18) 0.1166(5) 0.28695(16) 0.0693(11) Uani 1 1 d . . . . .
N6 N 0.82391(18) 0.2775(5) 0.50529(16) 0.0327(8) Uani 1 1 d . . . . .
N2 N 0.7275(2) 0.4713(5) 0.53699(15) 0.0329(9) Uani 1 1 d . . . . .
N1 N 0.64581(19) 0.4528(5) 0.43052(16) 0.0338(9) Uani 1 1 d . . . . .
N7 N 0.70353(18) 0.1439(5) 0.47430(16) 0.0303(8) Uani 1 1 d . . . . .
N9 N 0.6982(2) 0.1288(5) 0.30515(16) 0.0367(9) Uani 1 1 d . . . . .
N8 N 0.65074(18) 0.1312(5) 0.37931(16) 0.0332(8) Uani 1 1 d . . . . .
F10 F 0.3546(2) 0.0580(8) 0.25231(18) 0.0908(16) Uani 1 1 d . . . . .
F4 F 0.8870(2) 0.9938(6) 0.23132(16) 0.0849(14) Uani 1 1 d . . . . .
F6 F 0.8988(3) 0.7224(6) 0.22850(16) 0.0932(17) Uani 1 1 d . . . . .
N3 N 0.8278(2) 0.5993(6) 0.55170(18) 0.0434(11) Uani 1 1 d . . . . .
F12 F 0.4220(3) -0.1417(6) 0.2804(2) 0.1055(19) Uani 1 1 d . . . . .
C42 C 0.7001(2) 0.1827(6) 0.35736(19) 0.0317(10) Uani 1 1 d . . . . .
F2 F 0.8994(3) 0.7082(7) 0.31978(18) 0.112(2) Uani 1 1 d . . . . .
C20 C 0.7618(2) 0.6985(7) 0.4051(2) 0.0416(12) Uani 1 1 d . . . . .
H20A H 0.7193 0.7378 0.3994 0.050 Uiso 1 1 calc R . . . .
H20B H 0.7633 0.6278 0.3741 0.050 Uiso 1 1 calc R . . . .
C9 C 0.6207(2) 0.3659(7) 0.5160(2) 0.0362(11) Uani 1 1 d . . . . .
C1 C 0.6022(2) 0.4020(6) 0.4582(2) 0.0369(11) Uani 1 1 d . . . . .
C22 C 0.8269(2) 0.2101(7) 0.5568(2) 0.0376(11) Uani 1 1 d . . . . .
C30 C 0.7728(2) 0.1389(7) 0.5689(2) 0.0386(11) Uani 1 1 d . . . . .
C32 C 0.6892(2) -0.0690(7) 0.5373(2) 0.0426(12) Uani 1 1 d . . . . .
H32 H 0.6999 -0.1153 0.5725 0.051 Uiso 1 1 calc R . . . .
C39 C 0.7406(3) 0.1966(8) 0.2736(2) 0.0439(12) Uani 1 1 d . . . . .
H39A H 0.7170 0.2253 0.2366 0.053 Uiso 1 1 calc R . . . .
H39B H 0.7709 0.1135 0.2704 0.053 Uiso 1 1 calc R . . . .
C31 C 0.7196(2) 0.0715(7) 0.5255(2) 0.0370(11) Uani 1 1 d . . . . .
C5 C 0.5391(2) 0.3795(7) 0.4293(2) 0.0391(11) Uani 1 1 d . . . . .
N11 N 0.9538(2) 0.3930(8) 0.4035(2) 0.0591(14) Uani 1 1 d . . . . .
N4 N 0.8694(3) 0.7596(7) 0.4920(2) 0.0530(13) Uani 1 1 d . . . . .
C4 C 0.5202(3) 0.4361(8) 0.3740(2) 0.0467(13) Uani 1 1 d . . . . .
H4 H 0.4790 0.4243 0.3539 0.056 Uiso 1 1 calc R . . . .
C13 C 0.7712(3) 0.6134(7) 0.6233(2) 0.0438(12) Uani 1 1 d . . . . .
H13 H 0.8040 0.6717 0.6459 0.053 Uiso 1 1 calc R . . . .
C14 C 0.7742(3) 0.5617(6) 0.5708(2) 0.0379(11) Uani 1 1 d . . . . .
F9 F 0.3544(2) -0.0836(10) 0.33008(19) 0.125(3) Uani 1 1 d . . . . .
F5 F 0.9656(2) 0.8796(12) 0.29196(19) 0.157(4) Uani 1 1 d . . . . .
C40 C 0.7739(2) 0.3470(7) 0.3015(2) 0.0417(12) Uani 1 1 d . . . . .
H40A H 0.7461 0.4411 0.2948 0.050 Uiso 1 1 calc R . . . .
H40B H 0.8093 0.3715 0.2865 0.050 Uiso 1 1 calc R . . . .
F7 F 0.3872(3) 0.1806(9) 0.3353(2) 0.124(2) Uani 1 1 d . . . . .
C21 C 0.8226(3) 0.6584(6) 0.4980(2) 0.0402(12) Uani 1 1 d . . . . .
C38 C 0.6567(3) 0.0003(7) 0.2747(2) 0.0455(13) Uani 1 1 d . . . . .
H38A H 0.6818 -0.0923 0.2684 0.055 Uiso 1 1 calc R . . . .
H38B H 0.6351 0.0435 0.2388 0.055 Uiso 1 1 calc R . . . .
C12 C 0.7195(3) 0.5772(7) 0.6410(2) 0.0467(13) Uani 1 1 d . . . . .
H12 H 0.7173 0.6074 0.6765 0.056 Uiso 1 1 calc R . . . .
C29 C 0.7750(3) 0.1067(8) 0.6240(2) 0.0488(14) Uani 1 1 d . . . . .
H29 H 0.7395 0.0675 0.6332 0.059 Uiso 1 1 calc R . . . .
C41 C 0.7957(2) 0.3141(7) 0.36319(19) 0.0347(10) Uani 1 1 d . . . . .
H41A H 0.8243 0.2215 0.3696 0.042 Uiso 1 1 calc R . . . .
H41B H 0.8178 0.4098 0.3815 0.042 Uiso 1 1 calc R . . . .
C35 C 0.6615(2) 0.0662(6) 0.4329(2) 0.0342(10) Uani 1 1 d . . . . .
C11 C 0.6702(3) 0.4958(7) 0.6065(2) 0.0449(13) Uani 1 1 d . . . . .
H11 H 0.6341 0.4757 0.6179 0.054 Uiso 1 1 calc R . . . .
C3 C 0.5629(3) 0.5085(8) 0.3502(2) 0.0516(14) Uani 1 1 d . . . . .
H3 H 0.5503 0.5585 0.3156 0.062 Uiso 1 1 calc R . . . .
C2 C 0.6246(3) 0.5063(7) 0.3781(2) 0.0397(11) Uani 1 1 d . . . . .
H2 H 0.6535 0.5441 0.3596 0.048 Uiso 1 1 calc R . . . .
C23 C 0.8776(2) 0.3141(7) 0.4928(2) 0.0384(11) Uani 1 1 d . . . . .
H23 H 0.8759 0.3513 0.4572 0.046 Uiso 1 1 calc R . . . .
C10 C 0.6749(3) 0.4434(7) 0.5540(2) 0.0382(11) Uani 1 1 d . . . . .
C34 C 0.6294(3) -0.0746(7) 0.4433(2) 0.0416(12) Uani 1 1 d . . . . .
H34 H 0.5994 -0.1238 0.4150 0.050 Uiso 1 1 calc R . . . .
C6 C 0.4985(3) 0.2951(8) 0.4552(2) 0.0480(13) Uani 1 1 d . . . . .
H6 H 0.4573 0.2771 0.4363 0.058 Uiso 1 1 calc R . . . .
C8 C 0.5796(3) 0.2794(8) 0.5391(2) 0.0459(13) Uani 1 1 d . . . . .
H8 H 0.5921 0.2470 0.5760 0.055 Uiso 1 1 calc R . . . .
C17 C 0.9070(3) 0.8580(8) 0.5345(3) 0.0497(14) Uani 1 1 d . . . . .
H17A H 0.8965 0.9731 0.5267 0.060 Uiso 1 1 calc R . . . .
H17B H 0.9503 0.8433 0.5344 0.060 Uiso 1 1 calc R . . . .
C25 C 0.9388(3) 0.2588(9) 0.5837(2) 0.0520(15) Uani 1 1 d . . . . .
H25 H 0.9767 0.2590 0.6102 0.062 Uiso 1 1 calc R . . . .
C36 C 0.5938(2) 0.0824(7) 0.3376(2) 0.0403(11) Uani 1 1 d . . . . .
H36A H 0.5783 0.1746 0.3133 0.048 Uiso 1 1 calc R . . . .
H36B H 0.5618 0.0501 0.3559 0.048 Uiso 1 1 calc R . . . .
C26 C 0.8838(3) 0.2159(8) 0.5987(2) 0.0471(13) Uani 1 1 d . . . . .
C24 C 0.9365(3) 0.3000(9) 0.5302(2) 0.0522(15) Uani 1 1 d . . . . .
H24 H 0.9727 0.3182 0.5188 0.063 Uiso 1 1 calc R . . . .
C37 C 0.6092(3) -0.0610(7) 0.3042(2) 0.0441(12) Uani 1 1 d . . . . .
H37A H 0.6260 -0.1522 0.3285 0.053 Uiso 1 1 calc R . . . .
H37B H 0.5720 -0.0985 0.2775 0.053 Uiso 1 1 calc R . . . .
C33 C 0.6430(3) -0.1382(7) 0.4960(3) 0.0455(13) Uani 1 1 d . . . . .
H33 H 0.6210 -0.2287 0.5039 0.055 Uiso 1 1 calc R . . . .
C16 C 0.8988(3) 0.8157(8) 0.5911(3) 0.0536(15) Uani 1 1 d . . . . .
H16A H 0.9360 0.8443 0.6193 0.064 Uiso 1 1 calc R . . . .
H16B H 0.8641 0.8771 0.5983 0.064 Uiso 1 1 calc R . . . .
C01R C 0.9545(3) 0.3748(8) 0.3581(2) 0.0491(14) Uani 1 1 d . . . . .
C28 C 0.8290(3) 0.1316(10) 0.6662(2) 0.0611(18) Uani 1 1 d . . . . .
H28 H 0.8281 0.1158 0.7030 0.073 Uiso 1 1 calc R . . . .
C7 C 0.5200(3) 0.2399(9) 0.5083(3) 0.0564(16) Uani 1 1 d . . . . .
H7 H 0.4945 0.1750 0.5241 0.068 Uiso 1 1 calc R . . . .
C18 C 0.8692(3) 0.8039(9) 0.4354(3) 0.0589(17) Uani 1 1 d . . . . .
H18A H 0.8838 0.7119 0.4172 0.071 Uiso 1 1 calc R . . . .
H18B H 0.8968 0.8968 0.4355 0.071 Uiso 1 1 calc R . . . .
C15 C 0.8868(3) 0.6380(8) 0.5926(2) 0.0508(14) Uani 1 1 d . . . . .
H15A H 0.8841 0.6061 0.6294 0.061 Uiso 1 1 calc R . . . .
H15B H 0.9207 0.5771 0.5837 0.061 Uiso 1 1 calc R . . . .
C19 C 0.8050(3) 0.8478(8) 0.4054(3) 0.0599(18) Uani 1 1 d . . . . .
H19A H 0.8041 0.8792 0.3677 0.072 Uiso 1 1 calc R . . . .
H19B H 0.7907 0.9407 0.4234 0.072 Uiso 1 1 calc R . . . .
C27 C 0.8832(3) 0.1789(9) 0.6541(2) 0.0563(16) Uani 1 1 d . . . . .
H27 H 0.9197 0.1868 0.6822 0.068 Uiso 1 1 calc R . . . .
C01Y C 0.9564(3) 0.3537(9) 0.3007(2) 0.0581(16) Uani 1 1 d . . . . .
H01A H 0.9390 0.4491 0.2797 0.087 Uiso 1 1 calc GR . . . .
H01B H 0.9328 0.2579 0.2856 0.087 Uiso 1 1 calc GR . . . .
H01C H 0.9988 0.3401 0.2988 0.087 Uiso 1 1 calc GR . . . .


_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 N10 2.098(4) . ?
Ru1 N5 2.091(4) . ?
Ru1 N6 2.096(4) . ?
Ru1 N2 2.052(4) . ?
Ru1 N1 2.089(4) . ?
Ru1 N7 2.041(4) . ?
P2 F8 1.603(4) . ?
P2 F11 1.588(4) . ?
P2 F10 1.598(4) . ?
P2 F12 1.557(5) . ?
P2 F9 1.567(5) . ?
P2 F7 1.580(5) . ?
P1 F1 1.599(4) . ?
P1 F3 1.567(4) . ?
P1 F4 1.580(5) . ?
P1 F6 1.601(4) . ?
P1 F2 1.582(5) . ?
P1 F5 1.567(5) . ?
N10 C42 1.300(6) . ?
N10 C41 1.467(6) . ?
N5 C20 1.463(6) . ?
N5 C21 1.333(7) . ?
N6 C22 1.382(6) . ?
N6 C23 1.338(6) . ?
N2 C14 1.373(7) . ?
N2 C10 1.355(7) . ?
N1 C1 1.383(7) . ?
N1 C2 1.346(6) . ?
N7 C31 1.367(6) . ?
N7 C35 1.360(6) . ?
N9 C42 1.363(6) . ?
N9 C39 1.474(7) . ?
N9 C38 1.470(7) . ?
N8 C42 1.404(6) . ?
N8 C35 1.399(6) . ?
N8 C36 1.476(6) . ?
N3 C14 1.420(7) . ?
N3 C21 1.400(7) . ?
N3 C15 1.478(7) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C19 1.544(9) . ?
C9 C1 1.424(7) . ?
C9 C10 1.474(7) . ?
C9 C8 1.386(7) . ?
C1 C5 1.418(7) . ?
C22 C30 1.431(7) . ?
C22 C26 1.423(7) . ?
C30 C31 1.492(8) . ?
C30 C29 1.387(7) . ?
C32 H32 0.9300 . ?
C32 C31 1.393(8) . ?
C32 C33 1.376(8) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 C40 1.503(8) . ?
C5 C4 1.414(8) . ?
C5 C6 1.409(8) . ?
N11 C01R 1.143(8) . ?
N4 C21 1.360(7) . ?
N4 C17 1.418(8) . ?
N4 C18 1.455(7) . ?
C4 H4 0.9300 . ?
C4 C3 1.371(9) . ?
C13 H13 0.9300 . ?
C13 C14 1.392(7) . ?
C13 C12 1.360(8) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 C41 1.515(6) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C38 C37 1.512(8) . ?
C12 H12 0.9300 . ?
C12 C11 1.378(8) . ?
C29 H29 0.9300 . ?
C29 C28 1.397(9) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C35 C34 1.405(7) . ?
C11 H11 0.9300 . ?
C11 C10 1.404(7) . ?
C3 H3 0.9300 . ?
C3 C2 1.371(8) . ?
C2 H2 0.9300 . ?
C23 H23 0.9300 . ?
C23 C24 1.407(8) . ?
C34 H34 0.9300 . ?
C34 C33 1.372(8) . ?
C6 H6 0.9300 . ?
C6 C7 1.364(9) . ?
C8 H8 0.9300 . ?
C8 C7 1.390(8) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C16 1.506(9) . ?
C25 H25 0.9300 . ?
C25 C26 1.407(8) . ?
C25 C24 1.361(8) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C36 C37 1.519(7) . ?
C26 C27 1.416(8) . ?
C24 H24 0.9300 . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C33 H33 0.9300 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C15 1.468(9) . ?
C01R C01Y 1.452(8) . ?
C28 H28 0.9300 . ?
C28 C27 1.366(9) . ?
C7 H7 0.9300 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.478(10) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C27 H27 0.9300 . ?
C01Y H01A 0.9600 . ?
C01Y H01B 0.9600 . ?
C01Y H01C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N5 Ru1 N10 96.62(15) . . ?
N5 Ru1 N6 90.31(17) . . ?
N6 Ru1 N10 93.24(15) . . ?
N2 Ru1 N10 177.30(16) . . ?
N2 Ru1 N5 82.99(16) . . ?
N2 Ru1 N6 89.44(16) . . ?
N2 Ru1 N1 85.76(16) . . ?
N1 Ru1 N10 91.61(15) . . ?
N1 Ru1 N5 94.99(17) . . ?
N1 Ru1 N6 172.36(15) . . ?
N7 Ru1 N10 83.80(15) . . ?
N7 Ru1 N5 175.75(17) . . ?
N7 Ru1 N6 85.44(16) . . ?
N7 Ru1 N2 96.78(16) . . ?
N7 Ru1 N1 89.22(16) . . ?
F11 P2 F8 89.7(2) . . ?
F11 P2 F10 88.7(2) . . ?
F10 P2 F8 178.3(2) . . ?
F12 P2 F8 91.5(3) . . ?
F12 P2 F11 89.4(3) . . ?
F12 P2 F10 88.2(3) . . ?
F12 P2 F9 90.6(4) . . ?
F12 P2 F7 177.1(4) . . ?
F9 P2 F8 90.8(3) . . ?
F9 P2 F11 179.5(3) . . ?
F9 P2 F10 90.8(3) . . ?
F9 P2 F7 91.6(4) . . ?
F7 P2 F8 90.2(3) . . ?
F7 P2 F11 88.4(3) . . ?
F7 P2 F10 89.9(3) . . ?
F1 P1 F6 179.1(3) . . ?
F3 P1 F1 90.1(2) . . ?
F3 P1 F4 89.9(3) . . ?
F3 P1 F6 89.6(3) . . ?
F3 P1 F2 89.7(3) . . ?
F4 P1 F1 90.6(2) . . ?
F4 P1 F6 88.6(3) . . ?
F4 P1 F2 179.5(4) . . ?
F2 P1 F1 89.7(2) . . ?
F2 P1 F6 91.2(3) . . ?
F5 P1 F1 88.8(3) . . ?
F5 P1 F3 178.4(4) . . ?
F5 P1 F4 89.0(4) . . ?
F5 P1 F6 91.5(3) . . ?
F5 P1 F2 91.4(4) . . ?
C42 N10 Ru1 122.0(3) . . ?
C42 N10 C41 115.9(4) . . ?
C41 N10 Ru1 122.1(3) . . ?
C20 N5 Ru1 122.7(4) . . ?
C21 N5 Ru1 119.6(3) . . ?
C21 N5 C20 117.6(4) . . ?
C22 N6 Ru1 115.5(3) . . ?
C23 N6 Ru1 124.5(3) . . ?
C23 N6 C22 117.6(4) . . ?
C14 N2 Ru1 121.6(3) . . ?
C10 N2 Ru1 120.0(3) . . ?
C10 N2 C14 118.3(4) . . ?
C1 N1 Ru1 116.0(3) . . ?
C2 N1 Ru1 123.7(4) . . ?
C2 N1 C1 117.5(4) . . ?
C31 N7 Ru1 119.5(3) . . ?
C35 N7 Ru1 121.7(3) . . ?
C35 N7 C31 118.6(4) . . ?
C42 N9 C39 121.1(4) . . ?
C42 N9 C38 125.8(4) . . ?
C38 N9 C39 113.0(4) . . ?
C42 N8 C36 114.8(4) . . ?
C35 N8 C42 121.3(4) . . ?
C35 N8 C36 118.8(4) . . ?
C14 N3 C15 119.2(4) . . ?
C21 N3 C14 121.2(5) . . ?
C21 N3 C15 115.6(4) . . ?
N10 C42 N9 125.0(5) . . ?
N10 C42 N8 119.2(4) . . ?
N9 C42 N8 115.8(4) . . ?
N5 C20 H20A 108.8 . . ?
N5 C20 H20B 108.8 . . ?
N5 C20 C19 113.8(5) . . ?
H20A C20 H20B 107.7 . . ?
C19 C20 H20A 108.8 . . ?
C19 C20 H20B 108.8 . . ?
C1 C9 C10 123.0(5) . . ?
C8 C9 C1 118.1(5) . . ?
C8 C9 C10 117.7(5) . . ?
N1 C1 C9 120.3(5) . . ?
N1 C1 C5 120.7(5) . . ?
C5 C1 C9 119.0(5) . . ?
N6 C22 C30 120.5(4) . . ?
N6 C22 C26 119.7(5) . . ?
C26 C22 C30 119.8(5) . . ?
C22 C30 C31 123.3(4) . . ?
C29 C30 C22 117.4(5) . . ?
C29 C30 C31 118.4(5) . . ?
C31 C32 H32 120.5 . . ?
C33 C32 H32 120.5 . . ?
C33 C32 C31 119.0(5) . . ?
N9 C39 H39A 109.4 . . ?
N9 C39 H39B 109.4 . . ?
N9 C39 C40 111.3(4) . . ?
H39A C39 H39B 108.0 . . ?
C40 C39 H39A 109.4 . . ?
C40 C39 H39B 109.4 . . ?
N7 C31 C30 119.6(4) . . ?
N7 C31 C32 121.4(5) . . ?
C32 C31 C30 119.0(5) . . ?
C4 C5 C1 117.9(5) . . ?
C6 C5 C1 119.6(5) . . ?
C6 C5 C4 122.4(5) . . ?
C21 N4 C17 125.5(5) . . ?
C21 N4 C18 115.9(5) . . ?
C17 N4 C18 116.3(5) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 C5 119.5(5) . . ?
C3 C4 H4 120.2 . . ?
C14 C13 H13 120.6 . . ?
C12 C13 H13 120.6 . . ?
C12 C13 C14 118.7(6) . . ?
N2 C14 N3 118.4(4) . . ?
N2 C14 C13 122.2(5) . . ?
C13 C14 N3 119.4(5) . . ?
C39 C40 H40A 109.9 . . ?
C39 C40 H40B 109.9 . . ?
C39 C40 C41 108.7(5) . . ?
H40A C40 H40B 108.3 . . ?
C41 C40 H40A 109.9 . . ?
C41 C40 H40B 109.9 . . ?
N5 C21 N3 119.7(5) . . ?
N5 C21 N4 124.6(5) . . ?
N4 C21 N3 115.4(5) . . ?
N9 C38 H38A 108.8 . . ?
N9 C38 H38B 108.8 . . ?
N9 C38 C37 113.9(4) . . ?
H38A C38 H38B 107.7 . . ?
C37 C38 H38A 108.8 . . ?
C37 C38 H38B 108.8 . . ?
C13 C12 H12 119.9 . . ?
C13 C12 C11 120.2(5) . . ?
C11 C12 H12 119.9 . . ?
C30 C29 H29 119.0 . . ?
C30 C29 C28 122.0(6) . . ?
C28 C29 H29 119.0 . . ?
N10 C41 C40 111.0(4) . . ?
N10 C41 H41A 109.4 . . ?
N10 C41 H41B 109.4 . . ?
C40 C41 H41A 109.4 . . ?
C40 C41 H41B 109.4 . . ?
H41A C41 H41B 108.0 . . ?
N7 C35 N8 118.0(4) . . ?
N7 C35 C34 121.3(5) . . ?
N8 C35 C34 120.6(5) . . ?
C12 C11 H11 120.2 . . ?
C12 C11 C10 119.6(5) . . ?
C10 C11 H11 120.2 . . ?
C4 C3 H3 120.5 . . ?
C4 C3 C2 119.1(5) . . ?
C2 C3 H3 120.5 . . ?
N1 C2 C3 124.0(5) . . ?
N1 C2 H2 118.0 . . ?
C3 C2 H2 118.0 . . ?
N6 C23 H23 117.9 . . ?
N6 C23 C24 124.2(5) . . ?
C24 C23 H23 117.9 . . ?
N2 C10 C9 119.9(4) . . ?
N2 C10 C11 120.7(5) . . ?
C11 C10 C9 119.3(5) . . ?
C35 C34 H34 120.6 . . ?
C33 C34 C35 118.8(5) . . ?
C33 C34 H34 120.6 . . ?
C5 C6 H6 120.2 . . ?
C7 C6 C5 119.6(5) . . ?
C7 C6 H6 120.2 . . ?
C9 C8 H8 119.3 . . ?
C9 C8 C7 121.4(5) . . ?
C7 C8 H8 119.3 . . ?
N4 C17 H17A 109.1 . . ?
N4 C17 H17B 109.1 . . ?
N4 C17 C16 112.6(5) . . ?
H17A C17 H17B 107.8 . . ?
C16 C17 H17A 109.1 . . ?
C16 C17 H17B 109.1 . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C24 C25 C26 119.8(5) . . ?
N8 C36 H36A 109.9 . . ?
N8 C36 H36B 109.9 . . ?
N8 C36 C37 108.7(4) . . ?
H36A C36 H36B 108.3 . . ?
C37 C36 H36A 109.9 . . ?
C37 C36 H36B 109.9 . . ?
C25 C26 C22 118.9(5) . . ?
C25 C26 C27 122.1(5) . . ?
C27 C26 C22 119.0(5) . . ?
C23 C24 H24 121.0 . . ?
C25 C24 C23 118.0(5) . . ?
C25 C24 H24 121.0 . . ?
C38 C37 C36 107.1(5) . . ?
C38 C37 H37A 110.3 . . ?
C38 C37 H37B 110.3 . . ?
C36 C37 H37A 110.3 . . ?
C36 C37 H37B 110.3 . . ?
H37A C37 H37B 108.5 . . ?
C32 C33 H33 119.8 . . ?
C34 C33 C32 120.4(5) . . ?
C34 C33 H33 119.8 . . ?
C17 C16 H16A 110.1 . . ?
C17 C16 H16B 110.1 . . ?
H16A C16 H16B 108.4 . . ?
C15 C16 C17 108.2(5) . . ?
C15 C16 H16A 110.1 . . ?
C15 C16 H16B 110.1 . . ?
N11 C01R C01Y 178.8(7) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 C29 120.7(5) . . ?
C27 C28 H28 119.6 . . ?
C6 C7 C8 120.9(6) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 H7 119.5 . . ?
N4 C18 H18A 110.0 . . ?
N4 C18 H18B 110.0 . . ?
N4 C18 C19 108.5(5) . . ?
H18A C18 H18B 108.4 . . ?
C19 C18 H18A 110.0 . . ?
C19 C18 H18B 110.0 . . ?
N3 C15 H15A 109.9 . . ?
N3 C15 H15B 109.9 . . ?
C16 C15 N3 109.0(5) . . ?
C16 C15 H15A 109.9 . . ?
C16 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
C20 C19 H19A 109.8 . . ?
C20 C19 H19B 109.8 . . ?
C18 C19 C20 109.5(5) . . ?
C18 C19 H19A 109.8 . . ?
C18 C19 H19B 109.8 . . ?
H19A C19 H19B 108.2 . . ?
C26 C27 H27 120.1 . . ?
C28 C27 C26 119.9(6) . . ?
C28 C27 H27 120.1 . . ?
C01R C01Y H01A 109.5 . . ?
C01R C01Y H01B 109.5 . . ?
C01R C01Y H01C 109.5 . . ?
H01A C01Y H01B 109.5 . . ?
H01A C01Y H01C 109.5 . . ?
H01B C01Y H01C 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
Ru1 N10 C42 N9 173.9(4) . . . . ?
Ru1 N10 C42 N8 -5.0(6) . . . . ?
Ru1 N10 C41 C40 -138.7(4) . . . . ?
Ru1 N5 C20 C19 -170.3(4) . . . . ?
Ru1 N5 C21 N3 -21.8(7) . . . . ?
Ru1 N5 C21 N4 150.6(5) . . . . ?
Ru1 N6 C22 C30 28.7(6) . . . . ?
Ru1 N6 C22 C26 -149.5(4) . . . . ?
Ru1 N6 C23 C24 156.8(5) . . . . ?
Ru1 N2 C14 N3 5.7(6) . . . . ?
Ru1 N2 C14 C13 -172.6(4) . . . . ?
Ru1 N2 C10 C9 -10.0(6) . . . . ?
Ru1 N2 C10 C11 173.5(4) . . . . ?
Ru1 N1 C1 C9 27.1(6) . . . . ?
Ru1 N1 C1 C5 -150.7(4) . . . . ?
Ru1 N1 C2 C3 158.0(5) . . . . ?
Ru1 N7 C31 C30 -15.2(6) . . . . ?
Ru1 N7 C31 C32 167.8(4) . . . . ?
Ru1 N7 C35 N8 12.6(6) . . . . ?
Ru1 N7 C35 C34 -167.1(4) . . . . ?
N5 C20 C19 C18 35.9(7) . . . . ?
N6 C22 C30 C31 24.9(8) . . . . ?
N6 C22 C30 C29 -166.1(5) . . . . ?
N6 C22 C26 C25 -13.0(9) . . . . ?
N6 C22 C26 C27 166.8(6) . . . . ?
N6 C23 C24 C25 -5.4(10) . . . . ?
N1 C1 C5 C4 -10.3(7) . . . . ?
N1 C1 C5 C6 166.5(5) . . . . ?
N7 C35 C34 C33 -2.9(8) . . . . ?
N9 C39 C40 C41 43.7(6) . . . . ?
N9 C38 C37 C36 31.1(6) . . . . ?
N8 C35 C34 C33 177.4(5) . . . . ?
N8 C36 C37 C38 -62.4(6) . . . . ?
C42 N10 C41 C40 41.6(6) . . . . ?
C42 N9 C39 C40 -11.1(7) . . . . ?
C42 N9 C38 C37 5.9(8) . . . . ?
C42 N8 C35 N7 44.2(6) . . . . ?
C42 N8 C35 C34 -136.1(5) . . . . ?
C42 N8 C36 C37 60.4(6) . . . . ?
C20 N5 C21 N3 161.6(5) . . . . ?
C20 N5 C21 N4 -26.0(8) . . . . ?
C9 C1 C5 C4 171.9(5) . . . . ?
C9 C1 C5 C6 -11.3(8) . . . . ?
C9 C8 C7 C6 -4.6(10) . . . . ?
C1 N1 C2 C3 -2.1(8) . . . . ?
C1 C9 C10 N2 -38.6(7) . . . . ?
C1 C9 C10 C11 137.9(5) . . . . ?
C1 C9 C8 C7 -5.0(9) . . . . ?
C1 C5 C4 C3 0.6(8) . . . . ?
C1 C5 C6 C7 1.8(9) . . . . ?
C22 N6 C23 C24 -5.0(8) . . . . ?
C22 C30 C31 N7 -33.9(7) . . . . ?
C22 C30 C31 C32 143.2(5) . . . . ?
C22 C30 C29 C28 -4.3(9) . . . . ?
C22 C26 C27 C28 2.8(10) . . . . ?
C30 C22 C26 C25 168.8(6) . . . . ?
C30 C22 C26 C27 -11.4(9) . . . . ?
C30 C29 C28 C27 -4.3(11) . . . . ?
C39 N9 C42 N10 -9.8(7) . . . . ?
C39 N9 C42 N8 169.1(4) . . . . ?
C39 N9 C38 C37 -175.1(5) . . . . ?
C39 C40 C41 N10 -60.0(6) . . . . ?
C31 N7 C35 N8 -172.8(4) . . . . ?
C31 N7 C35 C34 7.6(7) . . . . ?
C31 C30 C29 C28 165.2(6) . . . . ?
C31 C32 C33 C34 3.2(8) . . . . ?
C5 C4 C3 C2 8.0(9) . . . . ?
C5 C6 C7 C8 6.3(10) . . . . ?
N4 C17 C16 C15 33.6(7) . . . . ?
N4 C18 C19 C20 -60.2(7) . . . . ?
C4 C5 C6 C7 178.3(6) . . . . ?
C4 C3 C2 N1 -7.5(9) . . . . ?
C13 C12 C11 C10 3.1(9) . . . . ?
C14 N2 C10 C9 172.1(4) . . . . ?
C14 N2 C10 C11 -4.4(7) . . . . ?
C14 N3 C21 N5 -36.9(8) . . . . ?
C14 N3 C21 N4 150.0(5) . . . . ?
C14 N3 C15 C16 -106.3(6) . . . . ?
C14 C13 C12 C11 -2.3(8) . . . . ?
C21 N5 C20 C19 6.1(7) . . . . ?
C21 N3 C14 N2 46.3(7) . . . . ?
C21 N3 C14 C13 -135.4(5) . . . . ?
C21 N3 C15 C16 51.6(7) . . . . ?
C21 N4 C17 C16 11.3(9) . . . . ?
C21 N4 C18 C19 44.8(8) . . . . ?
C38 N9 C42 N10 169.1(5) . . . . ?
C38 N9 C42 N8 -12.0(7) . . . . ?
C38 N9 C39 C40 169.8(5) . . . . ?
C12 C13 C14 N2 -2.0(8) . . . . ?
C12 C13 C14 N3 179.8(5) . . . . ?
C12 C11 C10 N2 0.3(8) . . . . ?
C12 C11 C10 C9 -176.2(5) . . . . ?
C29 C30 C31 N7 157.3(5) . . . . ?
C29 C30 C31 C32 -25.6(7) . . . . ?
C29 C28 C27 C26 5.0(11) . . . . ?
C41 N10 C42 N9 -6.4(7) . . . . ?
C41 N10 C42 N8 174.7(4) . . . . ?
C35 N7 C31 C30 170.1(4) . . . . ?
C35 N7 C31 C32 -7.0(7) . . . . ?
C35 N8 C42 N10 -48.4(6) . . . . ?
C35 N8 C42 N9 132.6(5) . . . . ?
C35 N8 C36 C37 -94.9(5) . . . . ?
C35 C34 C33 C32 -2.6(8) . . . . ?
C2 N1 C1 C9 -171.2(5) . . . . ?
C2 N1 C1 C5 11.0(7) . . . . ?
C23 N6 C22 C30 -167.8(5) . . . . ?
C23 N6 C22 C26 14.0(8) . . . . ?
C10 N2 C14 N3 -176.4(5) . . . . ?
C10 N2 C14 C13 5.3(7) . . . . ?
C10 C9 C1 N1 27.8(7) . . . . ?
C10 C9 C1 C5 -154.4(5) . . . . ?
C10 C9 C8 C7 162.9(6) . . . . ?
C6 C5 C4 C3 -176.0(6) . . . . ?
C8 C9 C1 N1 -165.0(5) . . . . ?
C8 C9 C1 C5 12.8(7) . . . . ?
C8 C9 C10 N2 154.1(5) . . . . ?
C8 C9 C10 C11 -29.4(7) . . . . ?
C17 N4 C21 N5 161.5(6) . . . . ?
C17 N4 C21 N3 -25.8(9) . . . . ?
C17 N4 C18 C19 -119.1(6) . . . . ?
C17 C16 C15 N3 -63.3(7) . . . . ?
C25 C26 C27 C28 -177.4(7) . . . . ?
C36 N8 C42 N10 157.0(4) . . . . ?
C36 N8 C42 N9 -22.1(6) . . . . ?
C36 N8 C35 N7 -162.1(4) . . . . ?
C36 N8 C35 C34 17.5(7) . . . . ?
C26 C22 C30 C31 -156.9(5) . . . . ?
C26 C22 C30 C29 12.0(8) . . . . ?
C26 C25 C24 C23 6.3(10) . . . . ?
C24 C25 C26 C22 2.5(10) . . . . ?
C24 C25 C26 C27 -177.3(7) . . . . ?
C33 C32 C31 N7 1.6(8) . . . . ?
C33 C32 C31 C30 -175.4(5) . . . . ?
C18 N4 C21 N5 -0.7(9) . . . . ?
C18 N4 C21 N3 171.9(6) . . . . ?
C18 N4 C17 C16 173.6(6) . . . . ?
C15 N3 C14 N2 -157.1(5) . . . . ?
C15 N3 C14 C13 21.3(8) . . . . ?
C15 N3 C21 N5 165.7(5) . . . . ?
C15 N3 C21 N4 -7.4(7) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
