# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_4
_database_code_depnum_ccdc_archive 'CCDC 1551292'
_audit_update_record             
;
2017-06-16 deposited with the CCDC.
2017-06-26 downloaded from the CCDC.
;
_audit_creation_date             2017-06-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C31 H28 N6 Ru, 2(F6 P)'
_chemical_formula_sum            'C31 H28 F12 N6 P2 Ru'
_chemical_formula_weight         875.60
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   11.443(4)
_cell_length_b                   12.524(4)
_cell_length_c                   13.131(5)
_cell_angle_alpha                110.34(2)
_cell_angle_beta                 108.484(13)
_cell_angle_gamma                90.749(14)
_cell_volume                     1657.3(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3317
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      21.85
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   0.993
_shelx_estimated_absorpt_T_min   0.939
_exptl_absorpt_coefficient_mu    0.672
_exptl_absorpt_correction_T_max  0.9517
_exptl_absorpt_correction_T_min  0.8505
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Krause et al., 2015) was used for absorption correction.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.755
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             876
_exptl_crystal_size_max          0.095
_exptl_crystal_size_mid          0.051
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0626
_diffrn_reflns_av_unetI/netI     0.0639
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            29045
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.444
_diffrn_reflns_theta_min         1.751
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5101
_reflns_number_total             6829
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'APEX2 Ver. 2014.11-0 (Bruker-AXS, 2014)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.971
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     472
_refine_ls_number_reflns         6829
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0391
_refine_ls_restrained_S_all      1.036
_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)+(0.0437P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0860
_refine_ls_wR_factor_ref         0.0906
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C14(H14), C17(H17), C16(H16), C15(H15), C24(H24), C12(H12), C21(H21), C9(H9),
 C10(H10), C23(H23), C11(H11), C28(H28), C29(H29), C2(H2), C27(H27), C4(H4),
 C3(H3), C26(H26), C22(H22)
2.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C31(H31A,H31B,H31C), C19(H19A,H19B,H19C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.65375(2) 0.32075(2) 0.26450(2) 0.01729(9) Uani 1 1 d . . . . .
P2 P 0.89479(9) 0.22445(8) 0.90503(8) 0.0287(2) Uani 1 1 d . . . . .
P1 P 0.25859(9) 0.18845(8) 0.64437(9) 0.0337(3) Uani 1 1 d . . . . .
F1 F 0.34810(18) 0.28167(17) 0.76288(17) 0.0364(5) Uani 1 1 d . . . . .
F8 F 0.9605(2) 0.30495(18) 1.03963(17) 0.0417(6) Uani 1 1 d . . . . .
F4 F 0.3582(2) 0.10065(18) 0.65128(18) 0.0437(6) Uani 1 1 d . . . . .
F11 F 0.8284(2) 0.14391(19) 0.77268(17) 0.0429(6) Uani 1 1 d . . . . .
F12 F 0.9302(2) 0.32601(19) 0.86883(19) 0.0435(6) Uani 1 1 d . . . . .
F6 F 0.3227(2) 0.23978(18) 0.57561(18) 0.0450(6) Uani 1 1 d . . . . .
F7 F 0.7680(2) 0.2728(2) 0.9091(2) 0.0496(6) Uani 1 1 d . . . . .
F2 F 0.15980(19) 0.27799(19) 0.6363(2) 0.0457(6) Uani 1 1 d . . . . .
N6 N 0.7264(2) 0.4162(2) 0.1956(2) 0.0186(6) Uani 1 1 d . . . . .
F3 F 0.1937(2) 0.1409(2) 0.7136(2) 0.0599(7) Uani 1 1 d . . . . .
F10 F 1.0214(2) 0.1783(2) 0.9033(2) 0.0633(8) Uani 1 1 d . . . . .
F9 F 0.8572(3) 0.12407(19) 0.94221(19) 0.0614(8) Uani 1 1 d . . . . .
N3 N 0.7985(2) 0.2226(2) 0.2744(2) 0.0161(6) Uani 1 1 d . . . . .
N2 N 0.7679(2) 0.4217(2) 0.4312(2) 0.0186(6) Uani 1 1 d . . . . .
N4 N 0.5407(2) 0.2139(2) 0.1003(2) 0.0213(6) Uani 1 1 d . . . . .
N1 N 0.5771(2) 0.2282(2) 0.3325(2) 0.0203(6) Uani 1 1 d . . . . .
F5 F 0.1699(3) 0.0962(2) 0.5257(2) 0.0793(10) Uani 1 1 d . . . . .
N5 N 0.5012(2) 0.4107(2) 0.2539(2) 0.0218(6) Uani 1 1 d . . . . .
C13 C 0.8384(3) 0.1863(3) 0.3640(3) 0.0175(7) Uani 1 1 d . . . . .
C14 C 0.9222(3) 0.1080(3) 0.3666(3) 0.0227(8) Uani 1 1 d . . . . .
H14 H 0.946238 0.081538 0.428825 0.027 Uiso 1 1 calc R . . . .
C17 C 0.8515(3) 0.1870(3) 0.1924(3) 0.0186(7) Uani 1 1 d . . . . .
H17 H 0.828517 0.216041 0.131912 0.022 Uiso 1 1 calc R . . . .
C1 C 0.6487(3) 0.2043(3) 0.4241(3) 0.0196(7) Uani 1 1 d . . . . .
C16 C 0.9375(3) 0.1106(3) 0.1913(3) 0.0205(7) Uani 1 1 d . . . . .
H16 H 0.972664 0.087948 0.131777 0.025 Uiso 1 1 calc R . . . .
C8 C 0.8207(3) 0.3712(3) 0.5075(3) 0.0202(7) Uani 1 1 d . . . . .
C15 C 0.9710(3) 0.0682(3) 0.2784(3) 0.0239(8) Uani 1 1 d . . . . .
H15 H 1.026667 0.012557 0.278214 0.029 Uiso 1 1 calc R . . . .
C20 C 0.4236(3) 0.1718(3) 0.0840(3) 0.0252(8) Uani 1 1 d . . . . .
C24 C 0.5793(3) 0.1835(3) 0.0091(3) 0.0242(8) Uani 1 1 d . . . . .
H24 H 0.660007 0.215748 0.019962 0.029 Uiso 1 1 calc R . . . .
C6 C 0.7891(3) 0.2391(3) 0.4648(3) 0.0211(7) Uani 1 1 d . . . . .
C12 C 0.8004(3) 0.5361(3) 0.4645(3) 0.0225(7) Uani 1 1 d . . . . .
H12 H 0.764963 0.571664 0.410747 0.027 Uiso 1 1 calc R . . . .
C5 C 0.4521(3) 0.1934(3) 0.2903(3) 0.0247(8) Uani 1 1 d . . . . .
C7 C 0.8545(3) 0.1981(3) 0.5631(3) 0.0272(8) Uani 1 1 d . . . . .
H7A H 0.831832 0.114846 0.536875 0.041 Uiso 1 1 calc GR . . . .
H7B H 0.828606 0.237041 0.629632 0.041 Uiso 1 1 calc GR . . . .
H7C H 0.944770 0.216274 0.585588 0.041 Uiso 1 1 calc GR . . . .
C30 C 0.7604(3) 0.4704(3) 0.1530(3) 0.0232(8) Uani 1 1 d . . . . .
C21 C 0.3484(3) 0.0935(3) -0.0235(3) 0.0337(9) Uani 1 1 d . . . . .
H21 H 0.267051 0.063156 -0.034005 0.040 Uiso 1 1 calc R . . . .
C9 C 0.9043(3) 0.4358(3) 0.6169(3) 0.0248(8) Uani 1 1 d . . . . .
H9 H 0.941137 0.399212 0.669268 0.030 Uiso 1 1 calc R . . . .
C10 C 0.9339(3) 0.5526(3) 0.6497(3) 0.0270(8) Uani 1 1 d . . . . .
H10 H 0.989517 0.597211 0.725013 0.032 Uiso 1 1 calc R . . . .
C23 C 0.5081(3) 0.1081(3) -0.0996(3) 0.0311(9) Uani 1 1 d . . . . .
H23 H 0.538300 0.089710 -0.162341 0.037 Uiso 1 1 calc R . . . .
C11 C 0.8818(3) 0.6035(3) 0.5718(3) 0.0257(8) Uani 1 1 d . . . . .
H11 H 0.901725 0.683669 0.591653 0.031 Uiso 1 1 calc R . . . .
C28 C 0.4121(3) 0.5832(3) 0.2578(3) 0.0310(9) Uani 1 1 d . . . . .
H28 H 0.423962 0.662892 0.271604 0.037 Uiso 1 1 calc R . . . .
C29 C 0.5116(3) 0.5233(3) 0.2732(3) 0.0255(8) Uani 1 1 d . . . . .
H29 H 0.592571 0.564019 0.298996 0.031 Uiso 1 1 calc R . . . .
C18 C 0.3756(3) 0.2206(3) 0.1849(3) 0.0272(8) Uani 1 1 d . . . . .
C2 C 0.5963(3) 0.1489(3) 0.4776(3) 0.0272(8) Uani 1 1 d . . . . .
H2 H 0.647495 0.134385 0.542756 0.033 Uiso 1 1 calc R . . . .
C31 C 0.8030(4) 0.5387(3) 0.0981(3) 0.0339(9) Uani 1 1 d . . . . .
H31A H 0.733941 0.538588 0.030925 0.051 Uiso 1 1 calc GR . . . .
H31B H 0.870902 0.505475 0.073054 0.051 Uiso 1 1 calc GR . . . .
H31C H 0.832784 0.617817 0.153520 0.051 Uiso 1 1 calc GR . . . .
C27 C 0.2947(3) 0.5248(3) 0.2220(3) 0.0328(9) Uani 1 1 d . . . . .
H27 H 0.223749 0.563897 0.212487 0.039 Uiso 1 1 calc R . . . .
C4 C 0.3986(3) 0.1367(3) 0.3411(3) 0.0332(9) Uani 1 1 d . . . . .
H4 H 0.311424 0.112299 0.310264 0.040 Uiso 1 1 calc R . . . .
C25 C 0.3857(3) 0.3519(3) 0.2154(3) 0.0259(8) Uani 1 1 d . . . . .
C3 C 0.4700(3) 0.1153(3) 0.4356(3) 0.0342(9) Uani 1 1 d . . . . .
H3 H 0.432766 0.077878 0.471698 0.041 Uiso 1 1 calc R . . . .
C26 C 0.2820(3) 0.4088(3) 0.2001(3) 0.0319(9) Uani 1 1 d . . . . .
H26 H 0.201420 0.367205 0.174235 0.038 Uiso 1 1 calc R . . . .
C19 C 0.2381(3) 0.1710(3) 0.1480(4) 0.0377(10) Uani 1 1 d . . . . .
H19A H 0.188946 0.186431 0.079814 0.057 Uiso 1 1 calc GR . . . .
H19B H 0.206692 0.207171 0.211467 0.057 Uiso 1 1 calc GR . . . .
H19C H 0.231330 0.087751 0.129389 0.057 Uiso 1 1 calc GR . . . .
C22 C 0.3923(4) 0.0602(3) -0.1147(3) 0.0374(10) Uani 1 1 d . . . . .
H22 H 0.342779 0.004580 -0.187402 0.045 Uiso 1 1 calc R . . . .


_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 N6 2.035(3) . ?
Ru1 N3 2.073(3) . ?
Ru1 N2 2.078(3) . ?
Ru1 N4 2.072(3) . ?
Ru1 N1 2.025(3) . ?
Ru1 N5 2.084(3) . ?
P2 F8 1.614(2) . ?
P2 F11 1.593(2) . ?
P2 F12 1.593(2) . ?
P2 F7 1.588(2) . ?
P2 F10 1.571(2) . ?
P2 F9 1.597(2) . ?
P1 F1 1.590(2) . ?
P1 F4 1.598(2) . ?
P1 F6 1.605(2) . ?
P1 F2 1.608(2) . ?
P1 F3 1.589(3) . ?
P1 F5 1.584(2) . ?
N6 C30 1.149(4) . ?
N3 C13 1.354(4) . ?
N3 C17 1.348(4) . ?
N2 C8 1.355(4) . ?
N2 C12 1.352(4) . ?
N4 C20 1.357(4) . ?
N4 C24 1.341(4) . ?
N1 C1 1.357(4) . ?
N1 C5 1.362(4) . ?
N5 C29 1.340(4) . ?
N5 C25 1.355(4) . ?
C13 C14 1.381(4) . ?
C13 C6 1.544(4) . ?
C14 C15 1.384(5) . ?
C17 C16 1.381(4) . ?
C1 C6 1.527(4) . ?
C1 C2 1.387(4) . ?
C16 C15 1.374(5) . ?
C8 C6 1.547(4) . ?
C8 C9 1.390(4) . ?
C20 C21 1.393(5) . ?
C20 C18 1.528(5) . ?
C24 C23 1.378(4) . ?
C6 C7 1.532(4) . ?
C12 C11 1.374(4) . ?
C5 C18 1.537(5) . ?
C5 C4 1.379(5) . ?
C30 C31 1.459(5) . ?
C21 C22 1.378(5) . ?
C9 C10 1.377(5) . ?
C10 C11 1.373(5) . ?
C23 C22 1.373(5) . ?
C28 C29 1.371(4) . ?
C28 C27 1.377(5) . ?
C18 C25 1.545(5) . ?
C18 C19 1.542(4) . ?
C2 C3 1.374(5) . ?
C27 C26 1.376(5) . ?
C4 C3 1.369(5) . ?
C25 C26 1.389(5) . ?

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
N6 Ru1 N3 93.04(10) . . ?
N6 Ru1 N2 91.80(11) . . ?
N6 Ru1 N4 90.22(11) . . ?
N6 Ru1 N5 90.22(11) . . ?
N3 Ru1 N2 82.49(10) . . ?
N3 Ru1 N5 176.37(10) . . ?
N2 Ru1 N5 99.01(11) . . ?
N4 Ru1 N3 95.95(10) . . ?
N4 Ru1 N2 177.51(10) . . ?
N4 Ru1 N5 82.44(10) . . ?
N1 Ru1 N6 178.33(10) . . ?
N1 Ru1 N3 88.62(10) . . ?
N1 Ru1 N2 88.55(11) . . ?
N1 Ru1 N4 89.48(11) . . ?
N1 Ru1 N5 88.11(11) . . ?
F11 P2 F8 179.05(13) . . ?
F11 P2 F9 89.53(13) . . ?
F12 P2 F8 89.99(13) . . ?
F12 P2 F11 90.83(13) . . ?
F12 P2 F9 178.82(15) . . ?
F7 P2 F8 89.18(12) . . ?
F7 P2 F11 90.36(13) . . ?
F7 P2 F12 89.33(13) . . ?
F7 P2 F9 89.55(14) . . ?
F10 P2 F8 89.77(13) . . ?
F10 P2 F11 90.70(13) . . ?
F10 P2 F12 90.55(15) . . ?
F10 P2 F7 178.94(15) . . ?
F10 P2 F9 90.57(16) . . ?
F9 P2 F8 89.64(12) . . ?
F1 P1 F4 90.26(12) . . ?
F1 P1 F6 89.40(12) . . ?
F1 P1 F2 89.62(12) . . ?
F4 P1 F6 90.27(13) . . ?
F4 P1 F2 178.85(14) . . ?
F6 P1 F2 88.59(12) . . ?
F3 P1 F1 89.94(14) . . ?
F3 P1 F4 91.16(13) . . ?
F3 P1 F6 178.42(14) . . ?
F3 P1 F2 89.98(13) . . ?
F5 P1 F1 179.45(16) . . ?
F5 P1 F4 89.82(13) . . ?
F5 P1 F6 90.06(16) . . ?
F5 P1 F2 90.28(14) . . ?
F5 P1 F3 90.60(17) . . ?
C30 N6 Ru1 176.0(2) . . ?
C13 N3 Ru1 119.3(2) . . ?
C17 N3 Ru1 123.3(2) . . ?
C17 N3 C13 117.4(3) . . ?
C8 N2 Ru1 119.6(2) . . ?
C12 N2 Ru1 122.3(2) . . ?
C12 N2 C8 117.9(3) . . ?
C20 N4 Ru1 119.1(2) . . ?
C24 N4 Ru1 122.4(2) . . ?
C24 N4 C20 118.4(3) . . ?
C1 N1 Ru1 120.5(2) . . ?
C1 N1 C5 119.0(3) . . ?
C5 N1 Ru1 120.5(2) . . ?
C29 N5 Ru1 122.3(2) . . ?
C29 N5 C25 118.3(3) . . ?
C25 N5 Ru1 119.1(2) . . ?
N3 C13 C14 121.5(3) . . ?
N3 C13 C6 117.0(3) . . ?
C14 C13 C6 121.4(3) . . ?
C13 C14 C15 120.0(3) . . ?
N3 C17 C16 123.6(3) . . ?
N1 C1 C6 117.3(3) . . ?
N1 C1 C2 121.2(3) . . ?
C2 C1 C6 121.5(3) . . ?
C15 C16 C17 118.5(3) . . ?
N2 C8 C6 117.0(3) . . ?
N2 C8 C9 120.7(3) . . ?
C9 C8 C6 122.3(3) . . ?
C16 C15 C14 118.8(3) . . ?
N4 C20 C21 120.5(3) . . ?
N4 C20 C18 117.3(3) . . ?
C21 C20 C18 122.1(3) . . ?
N4 C24 C23 123.5(3) . . ?
C13 C6 C8 107.0(3) . . ?
C1 C6 C13 110.4(3) . . ?
C1 C6 C8 110.5(3) . . ?
C1 C6 C7 109.7(3) . . ?
C7 C6 C13 109.6(3) . . ?
C7 C6 C8 109.5(3) . . ?
N2 C12 C11 123.5(3) . . ?
N1 C5 C18 116.9(3) . . ?
N1 C5 C4 120.6(3) . . ?
C4 C5 C18 122.5(3) . . ?
N6 C30 C31 179.5(4) . . ?
C22 C21 C20 119.8(3) . . ?
C10 C9 C8 120.4(3) . . ?
C11 C10 C9 118.9(3) . . ?
C22 C23 C24 118.2(4) . . ?
C10 C11 C12 118.6(3) . . ?
C29 C28 C27 118.2(3) . . ?
N5 C29 C28 123.9(3) . . ?
C20 C18 C5 111.8(3) . . ?
C20 C18 C25 106.3(3) . . ?
C20 C18 C19 110.3(3) . . ?
C5 C18 C25 110.4(3) . . ?
C5 C18 C19 108.9(3) . . ?
C19 C18 C25 109.2(3) . . ?
C3 C2 C1 119.6(3) . . ?
C26 C27 C28 118.7(3) . . ?
C3 C4 C5 120.6(3) . . ?
N5 C25 C18 117.3(3) . . ?
N5 C25 C26 120.2(3) . . ?
C26 C25 C18 122.5(3) . . ?
C4 C3 C2 118.9(3) . . ?
C27 C26 C25 120.7(3) . . ?
C23 C22 C21 119.5(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 N3 C13 C14 170.9(2) . . . . ?
Ru1 N3 C13 C6 -10.8(3) . . . . ?
Ru1 N3 C17 C16 -172.0(2) . . . . ?
Ru1 N2 C8 C6 -1.3(4) . . . . ?
Ru1 N2 C8 C9 175.5(2) . . . . ?
Ru1 N2 C12 C11 -175.8(2) . . . . ?
Ru1 N4 C20 C21 -175.5(2) . . . . ?
Ru1 N4 C20 C18 8.9(4) . . . . ?
Ru1 N4 C24 C23 176.6(2) . . . . ?
Ru1 N1 C1 C6 -6.0(4) . . . . ?
Ru1 N1 C1 C2 174.8(2) . . . . ?
Ru1 N1 C5 C18 4.0(4) . . . . ?
Ru1 N1 C5 C4 -175.9(3) . . . . ?
Ru1 N5 C29 C28 174.4(3) . . . . ?
Ru1 N5 C25 C18 1.7(4) . . . . ?
Ru1 N5 C25 C26 -175.6(3) . . . . ?
N3 C13 C14 C15 2.6(5) . . . . ?
N3 C13 C6 C1 65.0(4) . . . . ?
N3 C13 C6 C8 -55.3(3) . . . . ?
N3 C13 C6 C7 -174.0(3) . . . . ?
N3 C17 C16 C15 0.1(5) . . . . ?
N2 C8 C6 C13 62.5(3) . . . . ?
N2 C8 C6 C1 -57.8(4) . . . . ?
N2 C8 C6 C7 -178.8(3) . . . . ?
N2 C8 C9 C10 0.6(5) . . . . ?
N2 C12 C11 C10 0.3(5) . . . . ?
N4 C20 C21 C22 -1.3(5) . . . . ?
N4 C20 C18 C5 -63.5(4) . . . . ?
N4 C20 C18 C25 57.0(4) . . . . ?
N4 C20 C18 C19 175.2(3) . . . . ?
N4 C24 C23 C22 -1.0(5) . . . . ?
N1 C1 C6 C13 -55.4(4) . . . . ?
N1 C1 C6 C8 62.9(4) . . . . ?
N1 C1 C6 C7 -176.3(3) . . . . ?
N1 C1 C2 C3 1.5(5) . . . . ?
N1 C5 C18 C20 56.0(4) . . . . ?
N1 C5 C18 C25 -62.0(4) . . . . ?
N1 C5 C18 C19 178.1(3) . . . . ?
N1 C5 C4 C3 0.6(5) . . . . ?
N5 C25 C26 C27 1.0(6) . . . . ?
C13 N3 C17 C16 4.3(4) . . . . ?
C13 C14 C15 C16 2.0(5) . . . . ?
C14 C13 C6 C1 -116.7(3) . . . . ?
C14 C13 C6 C8 123.0(3) . . . . ?
C14 C13 C6 C7 4.3(4) . . . . ?
C17 N3 C13 C14 -5.5(4) . . . . ?
C17 N3 C13 C6 172.7(3) . . . . ?
C17 C16 C15 C14 -3.2(4) . . . . ?
C1 N1 C5 C18 -178.8(3) . . . . ?
C1 N1 C5 C4 1.3(5) . . . . ?
C1 C2 C3 C4 0.4(5) . . . . ?
C8 N2 C12 C11 -1.3(5) . . . . ?
C8 C9 C10 C11 -1.5(5) . . . . ?
C20 N4 C24 C23 -2.7(5) . . . . ?
C20 C21 C22 C23 -2.5(5) . . . . ?
C20 C18 C25 N5 -63.4(4) . . . . ?
C20 C18 C25 C26 113.8(4) . . . . ?
C24 N4 C20 C21 3.8(5) . . . . ?
C24 N4 C20 C18 -171.7(3) . . . . ?
C24 C23 C22 C21 3.6(5) . . . . ?
C6 C13 C14 C15 -175.6(3) . . . . ?
C6 C1 C2 C3 -177.7(3) . . . . ?
C6 C8 C9 C10 177.2(3) . . . . ?
C12 N2 C8 C6 -176.0(3) . . . . ?
C12 N2 C8 C9 0.8(4) . . . . ?
C5 N1 C1 C6 176.8(3) . . . . ?
C5 N1 C1 C2 -2.4(5) . . . . ?
C5 C18 C25 N5 58.0(4) . . . . ?
C5 C18 C25 C26 -124.8(3) . . . . ?
C5 C4 C3 C2 -1.5(6) . . . . ?
C21 C20 C18 C5 121.1(3) . . . . ?
C21 C20 C18 C25 -118.4(3) . . . . ?
C21 C20 C18 C19 -0.2(5) . . . . ?
C9 C8 C6 C13 -114.2(3) . . . . ?
C9 C8 C6 C1 125.5(3) . . . . ?
C9 C8 C6 C7 4.5(4) . . . . ?
C9 C10 C11 C12 1.0(5) . . . . ?
C28 C27 C26 C25 0.9(6) . . . . ?
C29 N5 C25 C18 175.4(3) . . . . ?
C29 N5 C25 C26 -1.9(5) . . . . ?
C29 C28 C27 C26 -1.8(6) . . . . ?
C18 C20 C21 C22 174.0(3) . . . . ?
C18 C5 C4 C3 -179.3(3) . . . . ?
C18 C25 C26 C27 -176.1(3) . . . . ?
C2 C1 C6 C13 123.8(3) . . . . ?
C2 C1 C6 C8 -117.9(3) . . . . ?
C2 C1 C6 C7 2.9(4) . . . . ?
C27 C28 C29 N5 0.9(6) . . . . ?
C4 C5 C18 C20 -124.1(3) . . . . ?
C4 C5 C18 C25 117.8(3) . . . . ?
C4 C5 C18 C19 -2.0(5) . . . . ?
C25 N5 C29 C28 1.0(5) . . . . ?
C19 C18 C25 N5 177.7(3) . . . . ?
C19 C18 C25 C26 -5.1(5) . . . . ?

_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_3
_database_code_depnum_ccdc_archive 'CCDC 1551290'
_audit_update_record             
;
2017-06-16 deposited with the CCDC.
2017-06-26 downloaded from the CCDC.
;
_audit_creation_date             2017-06-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C29 H27 N5 O Ru, 2(F6 P), 2(H2 O)'
_chemical_formula_sum            'C29 H31 F12 N5 O3 P2 Ru'
_chemical_formula_weight         888.60
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   11.563(4)
_cell_length_b                   12.841(5)
_cell_length_c                   13.303(5)
_cell_angle_alpha                82.409(11)
_cell_angle_beta                 65.522(13)
_cell_angle_gamma                64.36(2)
_cell_volume                     1618.1(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4837
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.38
_cell_measurement_theta_min      2.37
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.695
_exptl_absorpt_correction_T_max  0.8014
_exptl_absorpt_correction_T_min  0.7149
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Krause et al., 2015) was used for absorption correction.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.824
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             892
_exptl_crystal_size_max          0.409
_exptl_crystal_size_mid          0.237
_exptl_crystal_size_min          0.044
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0734
_diffrn_reflns_av_unetI/netI     0.0777
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            32212
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.513
_diffrn_reflns_theta_min         1.685
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4962
_reflns_number_total             7421
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'APEX2 Ver. 2014.11-0 (Bruker-AXS, 2014)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.811
_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.102
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     543
_refine_ls_number_reflns         7421
_refine_ls_number_restraints     104
_refine_ls_R_factor_all          0.0795
_refine_ls_R_factor_gt           0.0472
_refine_ls_restrained_S_all      1.026
_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)+(0.0649P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1168
_refine_ls_wR_factor_ref         0.1250
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 P2A-F7A = P2A-F11A = P2A-F12A = P2A-F9A = P2A-F10A = P2A-F8A
 1.59684 with sigma of 0.01
 F7A-F8A = F7A-F9A = F7A-F10A = F7A-F12A = F12A-F8A = F12A-F10A = F12A-F11A =
 F10A-F9A = F10A-F11A = F8A-F9A
 2.257932 with sigma of 0.015
 P2-F7 = P2-F11 = P2-F12 = P2-F9 = P2-F10 = P2-F8
 1.59684 with sigma of 0.01
 F7-F8 = F7-F9 = F7-F10 = F7-F12 = F12-F8 = F12-F10 = F12-F11 = F10-F9 = F10-
 F11 = F8-F9
 2.257932 with sigma of 0.015
3. Rigid bond restraints
 P2A, F7A, F11A, F12A, F9A, F10A, F8A
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 P2, F7, F11, F12, F9, F10, F8
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
F7 \\sim F11: within 2A with sigma of 0.008 and sigma for terminal atoms of
0.016
F10 \\sim F8: within 2A with sigma of 0.008 and sigma for terminal atoms of
0.016
F7A \\sim F11A: within 2A with sigma of 0.008 and sigma for terminal atoms of
0.016
F12A \\sim F9A: within 2A with sigma of 0.008 and sigma for terminal atoms of
0.016
F8A \\sim F10A: within 2A with sigma of 0.008 and sigma for terminal atoms of
0.016
F9 \\sim F12: within 2A with sigma of 0.008 and sigma for terminal atoms of
0.016
Uanis(F7) \\sim Ueq, Uanis(F8) \\sim Ueq, Uanis(F9) \\sim Ueq, Uanis(F10) \\sim
Ueq, Uanis(F11) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of
0.02
5. Others
 1(DFIX)=1(DFIX)=FVAR(1)
 1(DFIX)=1(DFIX)=1.414*FVAR(2)
 Sof(P2A)=Sof(F8A)=Sof(F7A)=Sof(F12A)=Sof(F10A)=Sof(F11A)=Sof(F9A)=1-FVAR(2)
 Sof(P2)=Sof(F7)=Sof(F11)=Sof(F10)=Sof(F8)=Sof(F9)=Sof(F12)=FVAR(2)
6.a Free rotating group:
 O2(H2A,H2B), O3(H3A,H3B)
6.b Rotating group:
 O1(H1A,H1B)
6.c Aromatic/amide H refined with riding coordinates:
 C29(H29), C17(H17), C14(H14), C9(H9), C24(H24), C28(H28), C12(H12), C16(H16),
 C27(H27), C26(H26), C2(H2), C22(H22), C3(H3), C21(H21), C23(H23), C15(H15),
 C4(H4), C10(H10), C11(H11)
6.d Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C19(H19A,H19B,H19C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.28501(3) 0.67682(3) 0.31036(3) 0.02390(11) Uani 1 1 d . . . . .
P1 P 0.61936(12) 0.16560(9) 0.32836(9) 0.0309(3) Uani 1 1 d . . . . .
F1 F 0.7059(3) 0.0642(2) 0.2345(2) 0.0409(6) Uani 1 1 d . . . . .
F2 F 0.7117(3) 0.0944(2) 0.3965(2) 0.0484(7) Uani 1 1 d . . . . .
F3 F 0.5124(3) 0.1098(3) 0.3933(2) 0.0568(8) Uani 1 1 d . . . . .
F4 F 0.5279(3) 0.2381(2) 0.2596(2) 0.0491(7) Uani 1 1 d . . . . .
O1 O 0.3922(3) 0.5769(2) 0.4140(2) 0.0353(7) Uani 1 1 d . . . . .
H1A H 0.485147 0.537037 0.373672 0.053 Uiso 1 1 d GR . . . .
H1B H 0.358409 0.524315 0.450130 0.053 Uiso 1 1 d GR . . . .
F5 F 0.5291(3) 0.2695(2) 0.4222(2) 0.0595(8) Uani 1 1 d . . . . .
F6 F 0.7241(3) 0.2245(3) 0.2654(3) 0.0676(9) Uani 1 1 d . . . . .
N1 N 0.1829(3) 0.7678(3) 0.2154(3) 0.0244(7) Uani 1 1 d . . . . .
N2 N 0.1119(3) 0.7719(3) 0.4459(3) 0.0268(8) Uani 1 1 d . . . . .
N3 N 0.1835(3) 0.5696(3) 0.3384(3) 0.0250(7) Uani 1 1 d . . . . .
N4 N 0.4607(3) 0.5886(3) 0.1689(3) 0.0255(7) Uani 1 1 d . . . . .
N5 N 0.3847(3) 0.7850(3) 0.2789(3) 0.0250(7) Uani 1 1 d . . . . .
C18 C 0.4035(4) 0.7799(4) 0.0877(3) 0.0287(9) Uani 1 1 d . . . . .
C5 C 0.2500(4) 0.8045(3) 0.1171(3) 0.0276(9) Uani 1 1 d . . . . .
C29 C 0.4214(4) 0.8116(4) 0.3524(3) 0.0301(9) Uani 1 1 d . . . . .
H29 H 0.406088 0.774561 0.420438 0.036 Uiso 1 1 calc R . . . .
C17 C 0.2510(4) 0.4546(4) 0.3384(3) 0.0310(10) Uani 1 1 d . . . . .
H17 H 0.344353 0.423110 0.333378 0.037 Uiso 1 1 calc R . . . .
C13 C 0.0478(4) 0.6149(3) 0.3544(3) 0.0271(9) Uani 1 1 d . . . . .
C25 C 0.4175(4) 0.8311(4) 0.1788(3) 0.0283(9) Uani 1 1 d . . . . .
C6 C -0.0278(4) 0.7483(3) 0.3573(3) 0.0295(9) Uani 1 1 d . . . . .
C14 C -0.0186(4) 0.5448(4) 0.3635(3) 0.0312(10) Uani 1 1 d . . . . .
H14 H -0.114317 0.578656 0.374449 0.037 Uiso 1 1 calc R . . . .
C7 C -0.1817(4) 0.7847(4) 0.3802(4) 0.0348(10) Uani 1 1 d . . . . .
H7A H -0.187457 0.751290 0.321276 0.052 Uiso 1 1 calc GR . . . .
H7B H -0.229139 0.869244 0.382604 0.052 Uiso 1 1 calc GR . . . .
H7C H -0.226817 0.756807 0.451421 0.052 Uiso 1 1 calc GR . . . .
C20 C 0.4938(4) 0.6490(4) 0.0783(3) 0.0282(9) Uani 1 1 d . . . . .
C9 C -0.1358(4) 0.8732(3) 0.5359(4) 0.0342(10) Uani 1 1 d . . . . .
H9 H -0.225932 0.894767 0.537000 0.041 Uiso 1 1 calc R . . . .
C24 C 0.5473(4) 0.4777(4) 0.1673(3) 0.0296(9) Uani 1 1 d . . . . .
H24 H 0.523191 0.436182 0.231514 0.035 Uiso 1 1 calc R . . . .
C28 C 0.4796(4) 0.8891(4) 0.3353(3) 0.0346(10) Uani 1 1 d . . . . .
H28 H 0.502598 0.905754 0.390177 0.042 Uiso 1 1 calc R . . . .
C19 C 0.4578(5) 0.8340(4) -0.0223(3) 0.0355(11) Uani 1 1 d . . . . .
H19A H 0.450986 0.800515 -0.080548 0.053 Uiso 1 1 calc GR . . . .
H19B H 0.555714 0.818274 -0.042175 0.053 Uiso 1 1 calc GR . . . .
H19C H 0.401296 0.917838 -0.014195 0.053 Uiso 1 1 calc GR . . . .
C1 C 0.0463(4) 0.7885(3) 0.2451(3) 0.0282(9) Uani 1 1 d . . . . .
C12 C 0.1224(4) 0.8097(4) 0.5305(3) 0.0337(10) Uani 1 1 d . . . . .
H12 H 0.213087 0.786061 0.529239 0.040 Uiso 1 1 calc R . . . .
C16 C 0.1918(4) 0.3798(4) 0.3452(4) 0.0347(10) Uani 1 1 d . . . . .
H16 H 0.244476 0.298526 0.342171 0.042 Uiso 1 1 calc R . . . .
C27 C 0.5035(5) 0.9419(4) 0.2365(4) 0.0372(11) Uani 1 1 d . . . . .
H27 H 0.540730 0.997869 0.222581 0.045 Uiso 1 1 calc R . . . .
C26 C 0.4725(4) 0.9119(4) 0.1579(3) 0.0334(10) Uani 1 1 d . . . . .
H26 H 0.489055 0.947149 0.088943 0.040 Uiso 1 1 calc R . . . .
C2 C -0.0207(5) 0.8395(4) 0.1746(4) 0.0364(11) Uani 1 1 d . . . . .
H2 H -0.115088 0.851856 0.196095 0.044 Uiso 1 1 calc R . . . .
C22 C 0.7002(5) 0.4794(4) -0.0168(4) 0.0416(12) Uani 1 1 d . . . . .
H22 H 0.780467 0.441522 -0.081876 0.050 Uiso 1 1 calc R . . . .
C3 C 0.0494(5) 0.8723(4) 0.0736(4) 0.0394(11) Uani 1 1 d . . . . .
H3 H 0.005415 0.904777 0.023407 0.047 Uiso 1 1 calc R . . . .
C21 C 0.6134(4) 0.5939(4) -0.0160(4) 0.0355(10) Uani 1 1 d . . . . .
H21 H 0.635183 0.635783 -0.080289 0.043 Uiso 1 1 calc R . . . .
C8 C -0.0179(4) 0.8014(3) 0.4499(3) 0.0291(9) Uani 1 1 d . . . . .
C23 C 0.6695(4) 0.4203(4) 0.0777(4) 0.0345(10) Uani 1 1 d . . . . .
H23 H 0.730566 0.342505 0.080967 0.041 Uiso 1 1 calc R . . . .
C15 C 0.0535(5) 0.4254(4) 0.3567(3) 0.0341(10) Uani 1 1 d . . . . .
H15 H 0.009930 0.376379 0.359800 0.041 Uiso 1 1 calc R . . . .
C4 C 0.1845(5) 0.8573(4) 0.0461(4) 0.0354(10) Uani 1 1 d . . . . .
H4 H 0.232684 0.883361 -0.021826 0.043 Uiso 1 1 calc R . . . .
C10 C -0.1229(5) 0.9136(4) 0.6197(4) 0.0416(12) Uani 1 1 d . . . . .
H10 H -0.203772 0.963718 0.678228 0.050 Uiso 1 1 calc R . . . .
C11 C 0.0089(5) 0.8808(4) 0.6184(4) 0.0400(11) Uani 1 1 d . . . . .
H11 H 0.020424 0.906338 0.676027 0.048 Uiso 1 1 calc R . . . .
P2 P 0.1221(11) 0.2195(10) 0.0667(10) 0.121(5) Uani 0.243(5) 1 d D U P A 1
F7 F 0.007(2) 0.3063(16) 0.0219(19) 0.155(9) Uani 0.243(5) 1 d D U P A 1
F11 F 0.238(2) 0.1370(18) 0.1123(15) 0.145(7) Uani 0.243(5) 1 d D U P A 1
F10 F 0.220(2) 0.2859(17) -0.0020(16) 0.155(9) Uani 0.243(5) 1 d D U P A 1
F8 F 0.019(2) 0.1587(18) 0.1326(14) 0.153(8) Uani 0.243(5) 1 d D U P A 1
F9 F 0.056(2) 0.306(2) 0.1709(15) 0.190(9) Uani 0.243(5) 1 d D U P A 1
F12 F 0.1939(14) 0.1318(12) -0.0361(11) 0.092(5) Uani 0.243(5) 1 d D U P A 1
O2 O 0.6784(4) 0.4588(4) 0.3568(3) 0.0624(10) Uani 1 1 d . . . . .
H2A H 0.747311 0.418134 0.376533 0.094 Uiso 1 1 d G . . . .
H2B H 0.676332 0.527342 0.340850 0.094 Uiso 1 1 d G . . . .
O3 O 0.8055(5) 0.5828(4) 0.2036(3) 0.0764(12) Uani 1 1 d . . . . .
H3A H 0.770195 0.640498 0.167152 0.115 Uiso 1 1 d G . . . .
H3B H 0.886482 0.533785 0.158507 0.115 Uiso 1 1 d G . . . .
P2A P 0.0990(2) 0.2735(2) 0.08197(18) 0.0424(6) Uani 0.757(5) 1 d D U P A 2
F8A F 0.2360(4) 0.2550(5) -0.0291(4) 0.0668(15) Uani 0.757(5) 1 d D U P A 2
F7A F 0.0080(5) 0.3126(4) 0.0106(4) 0.0606(14) Uani 0.757(5) 1 d D U P A 2
F12A F 0.0764(4) 0.4030(3) 0.0933(3) 0.0507(11) Uani 0.757(5) 1 d D U P A 2
F10A F -0.0374(4) 0.2972(3) 0.1955(3) 0.0576(12) Uani 0.757(5) 1 d D U P A 2
F11A F 0.1930(4) 0.2334(3) 0.1530(3) 0.0485(11) Uani 0.757(5) 1 d D U P A 2
F9A F 0.1215(5) 0.1429(4) 0.0742(5) 0.0795(17) Uani 0.757(5) 1 d D U P A 2


_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 O1 2.158(3) . ?
Ru1 N1 2.001(3) . ?
Ru1 N2 2.055(3) . ?
Ru1 N3 2.076(3) . ?
Ru1 N4 2.087(3) . ?
Ru1 N5 2.065(3) . ?
P1 F1 1.588(3) . ?
P1 F2 1.592(3) . ?
P1 F3 1.583(3) . ?
P1 F4 1.596(3) . ?
P1 F5 1.607(3) . ?
P1 F6 1.589(3) . ?
O1 H1A 0.9078 . ?
O1 H1B 0.9092 . ?
N1 C5 1.359(5) . ?
N1 C1 1.368(5) . ?
N2 C12 1.352(5) . ?
N2 C8 1.358(5) . ?
N3 C17 1.339(5) . ?
N3 C13 1.346(5) . ?
N4 C20 1.352(5) . ?
N4 C24 1.337(5) . ?
N5 C29 1.347(5) . ?
N5 C25 1.355(5) . ?
C18 C5 1.541(5) . ?
C18 C25 1.547(5) . ?
C18 C20 1.535(6) . ?
C18 C19 1.539(5) . ?
C5 C4 1.380(6) . ?
C29 H29 0.9500 . ?
C29 C28 1.373(5) . ?
C17 H17 0.9500 . ?
C17 C16 1.376(5) . ?
C13 C6 1.548(6) . ?
C13 C14 1.380(5) . ?
C25 C26 1.380(5) . ?
C6 C7 1.531(5) . ?
C6 C1 1.533(6) . ?
C6 C8 1.550(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.387(6) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C20 C21 1.392(6) . ?
C9 H9 0.9500 . ?
C9 C8 1.384(6) . ?
C9 C10 1.376(6) . ?
C24 H24 0.9500 . ?
C24 C23 1.377(6) . ?
C28 H28 0.9500 . ?
C28 C27 1.374(6) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C1 C2 1.380(6) . ?
C12 H12 0.9500 . ?
C12 C11 1.377(6) . ?
C16 H16 0.9500 . ?
C16 C15 1.391(6) . ?
C27 H27 0.9500 . ?
C27 C26 1.382(6) . ?
C26 H26 0.9500 . ?
C2 H2 0.9500 . ?
C2 C3 1.373(6) . ?
C22 H22 0.9500 . ?
C22 C21 1.373(6) . ?
C22 C23 1.376(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.377(6) . ?
C21 H21 0.9500 . ?
C23 H23 0.9500 . ?
C15 H15 0.9500 . ?
C4 H4 0.9500 . ?
C10 H10 0.9500 . ?
C10 C11 1.387(6) . ?
C11 H11 0.9500 . ?
P2 F7 1.599(10) . ?
P2 F11 1.599(9) . ?
P2 F10 1.615(9) . ?
P2 F8 1.598(9) . ?
P2 F9 1.590(9) . ?
P2 F12 1.577(9) . ?
O2 H2A 0.8686 . ?
O2 H2B 0.8704 . ?
O3 H3A 0.8707 . ?
O3 H3B 0.8699 . ?
P2A F8A 1.605(4) . ?
P2A F7A 1.583(4) . ?
P2A F12A 1.586(4) . ?
P2A F10A 1.611(4) . ?
P2A F11A 1.606(4) . ?
P2A F9A 1.593(4) . ?

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
N1 Ru1 O1 178.80(11) . . ?
N1 Ru1 N2 88.38(13) . . ?
N1 Ru1 N3 88.15(12) . . ?
N1 Ru1 N4 89.78(13) . . ?
N1 Ru1 N5 90.43(12) . . ?
N2 Ru1 O1 91.23(13) . . ?
N2 Ru1 N3 83.80(12) . . ?
N2 Ru1 N4 176.94(12) . . ?
N2 Ru1 N5 96.63(12) . . ?
N3 Ru1 O1 90.68(12) . . ?
N3 Ru1 N4 98.58(12) . . ?
N4 Ru1 O1 90.66(12) . . ?
N5 Ru1 O1 90.74(12) . . ?
N5 Ru1 N3 178.50(13) . . ?
N5 Ru1 N4 80.93(12) . . ?
F1 P1 F2 91.15(15) . . ?
F1 P1 F4 89.04(14) . . ?
F1 P1 F5 178.68(16) . . ?
F1 P1 F6 90.84(16) . . ?
F2 P1 F4 179.25(16) . . ?
F2 P1 F5 90.14(15) . . ?
F3 P1 F1 90.66(15) . . ?
F3 P1 F2 89.93(16) . . ?
F3 P1 F4 90.79(16) . . ?
F3 P1 F5 89.03(17) . . ?
F3 P1 F6 178.49(18) . . ?
F4 P1 F5 89.68(15) . . ?
F6 P1 F2 90.27(16) . . ?
F6 P1 F4 89.00(17) . . ?
F6 P1 F5 89.47(17) . . ?
Ru1 O1 H1A 111.4 . . ?
Ru1 O1 H1B 111.5 . . ?
H1A O1 H1B 107.1 . . ?
C5 N1 Ru1 120.8(3) . . ?
C5 N1 C1 118.5(4) . . ?
C1 N1 Ru1 120.6(3) . . ?
C12 N2 Ru1 122.1(3) . . ?
C12 N2 C8 118.3(3) . . ?
C8 N2 Ru1 119.5(3) . . ?
C17 N3 Ru1 121.5(3) . . ?
C17 N3 C13 118.4(3) . . ?
C13 N3 Ru1 120.2(3) . . ?
C20 N4 Ru1 118.2(3) . . ?
C24 N4 Ru1 122.6(3) . . ?
C24 N4 C20 119.0(3) . . ?
C29 N5 Ru1 123.5(3) . . ?
C29 N5 C25 117.3(3) . . ?
C25 N5 Ru1 119.1(2) . . ?
C5 C18 C25 111.4(3) . . ?
C20 C18 C5 110.6(3) . . ?
C20 C18 C25 106.5(3) . . ?
C20 C18 C19 110.4(3) . . ?
C19 C18 C5 108.7(3) . . ?
C19 C18 C25 109.2(3) . . ?
N1 C5 C18 116.6(4) . . ?
N1 C5 C4 121.2(4) . . ?
C4 C5 C18 122.2(4) . . ?
N5 C29 H29 118.0 . . ?
N5 C29 C28 124.0(4) . . ?
C28 C29 H29 118.0 . . ?
N3 C17 H17 118.4 . . ?
N3 C17 C16 123.2(4) . . ?
C16 C17 H17 118.4 . . ?
N3 C13 C6 116.9(3) . . ?
N3 C13 C14 121.2(4) . . ?
C14 C13 C6 121.8(4) . . ?
N5 C25 C18 116.4(3) . . ?
N5 C25 C26 120.9(4) . . ?
C26 C25 C18 122.5(4) . . ?
C13 C6 C8 109.0(3) . . ?
C7 C6 C13 109.9(3) . . ?
C7 C6 C1 110.6(4) . . ?
C7 C6 C8 109.8(3) . . ?
C1 C6 C13 108.1(3) . . ?
C1 C6 C8 109.5(3) . . ?
C13 C14 H14 119.8 . . ?
C13 C14 C15 120.5(4) . . ?
C15 C14 H14 119.8 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N4 C20 C18 117.8(3) . . ?
N4 C20 C21 119.7(4) . . ?
C21 C20 C18 122.3(4) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C10 C9 C8 120.3(4) . . ?
N4 C24 H24 118.2 . . ?
N4 C24 C23 123.6(4) . . ?
C23 C24 H24 118.2 . . ?
C29 C28 H28 120.9 . . ?
C29 C28 C27 118.2(4) . . ?
C27 C28 H28 120.9 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N1 C1 C6 117.5(4) . . ?
N1 C1 C2 121.2(4) . . ?
C2 C1 C6 121.2(4) . . ?
N2 C12 H12 118.2 . . ?
N2 C12 C11 123.6(4) . . ?
C11 C12 H12 118.2 . . ?
C17 C16 H16 120.6 . . ?
C17 C16 C15 118.8(4) . . ?
C15 C16 H16 120.6 . . ?
C28 C27 H27 120.7 . . ?
C28 C27 C26 118.7(4) . . ?
C26 C27 H27 120.7 . . ?
C25 C26 C27 120.5(4) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 119.9(4) . . ?
C3 C2 H2 120.0 . . ?
C21 C22 H22 120.4 . . ?
C21 C22 C23 119.2(4) . . ?
C23 C22 H22 120.4 . . ?
C2 C3 H3 120.5 . . ?
C2 C3 C4 118.9(4) . . ?
C4 C3 H3 120.5 . . ?
C20 C21 H21 119.7 . . ?
C22 C21 C20 120.6(4) . . ?
C22 C21 H21 119.7 . . ?
N2 C8 C6 117.4(3) . . ?
N2 C8 C9 120.6(4) . . ?
C9 C8 C6 122.0(4) . . ?
C24 C23 H23 121.1 . . ?
C22 C23 C24 117.8(4) . . ?
C22 C23 H23 121.1 . . ?
C14 C15 C16 117.7(4) . . ?
C14 C15 H15 121.1 . . ?
C16 C15 H15 121.1 . . ?
C5 C4 H4 120.0 . . ?
C3 C4 C5 120.0(4) . . ?
C3 C4 H4 120.0 . . ?
C9 C10 H10 120.2 . . ?
C9 C10 C11 119.6(4) . . ?
C11 C10 H10 120.2 . . ?
C12 C11 C10 117.6(4) . . ?
C12 C11 H11 121.2 . . ?
C10 C11 H11 121.2 . . ?
F7 P2 F11 177.7(10) . . ?
F7 P2 F10 88.4(8) . . ?
F11 P2 F10 90.0(8) . . ?
F8 P2 F7 88.6(8) . . ?
F8 P2 F11 93.1(11) . . ?
F8 P2 F10 176.9(10) . . ?
F9 P2 F7 90.9(8) . . ?
F9 P2 F11 87.5(12) . . ?
F9 P2 F10 89.2(7) . . ?
F9 P2 F8 90.7(7) . . ?
F12 P2 F7 91.4(8) . . ?
F12 P2 F11 90.1(7) . . ?
F12 P2 F10 89.8(7) . . ?
F12 P2 F8 90.5(7) . . ?
F12 P2 F9 177.5(10) . . ?
H2A O2 H2B 109.5 . . ?
H3A O3 H3B 109.4 . . ?
F8A P2A F10A 177.1(3) . . ?
F8A P2A F11A 89.8(2) . . ?
F7A P2A F8A 89.5(3) . . ?
F7A P2A F12A 90.2(2) . . ?
F7A P2A F10A 91.7(2) . . ?
F7A P2A F11A 179.3(3) . . ?
F7A P2A F9A 91.2(3) . . ?
F12A P2A F8A 88.6(2) . . ?
F12A P2A F10A 88.8(2) . . ?
F12A P2A F11A 89.9(2) . . ?
F12A P2A F9A 178.3(3) . . ?
F11A P2A F10A 89.0(2) . . ?
F9A P2A F8A 92.5(3) . . ?
F9A P2A F10A 90.1(3) . . ?
F9A P2A F11A 88.8(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 N1 C5 C18 -4.1(4) . . . . ?
Ru1 N1 C5 C4 173.6(3) . . . . ?
Ru1 N1 C1 C6 4.9(4) . . . . ?
Ru1 N1 C1 C2 -172.6(3) . . . . ?
Ru1 N2 C12 C11 174.9(3) . . . . ?
Ru1 N2 C8 C6 7.4(4) . . . . ?
Ru1 N2 C8 C9 -174.7(3) . . . . ?
Ru1 N3 C17 C16 -173.1(3) . . . . ?
Ru1 N3 C13 C6 -3.4(5) . . . . ?
Ru1 N3 C13 C14 174.2(3) . . . . ?
Ru1 N4 C20 C18 2.9(4) . . . . ?
Ru1 N4 C20 C21 177.5(3) . . . . ?
Ru1 N4 C24 C23 -174.8(3) . . . . ?
Ru1 N5 C29 C28 -175.6(3) . . . . ?
Ru1 N5 C25 C18 -11.7(5) . . . . ?
Ru1 N5 C25 C26 174.0(3) . . . . ?
N1 C5 C4 C3 -0.9(6) . . . . ?
N1 C1 C2 C3 -1.2(6) . . . . ?
N2 C12 C11 C10 0.7(7) . . . . ?
N3 C17 C16 C15 -2.4(6) . . . . ?
N3 C13 C6 C7 -178.0(4) . . . . ?
N3 C13 C6 C1 61.3(5) . . . . ?
N3 C13 C6 C8 -57.7(4) . . . . ?
N3 C13 C14 C15 0.3(6) . . . . ?
N4 C20 C21 C22 -1.8(6) . . . . ?
N4 C24 C23 C22 -3.1(6) . . . . ?
N5 C29 C28 C27 -0.8(7) . . . . ?
N5 C25 C26 C27 4.2(7) . . . . ?
C18 C5 C4 C3 176.7(4) . . . . ?
C18 C25 C26 C27 -169.8(4) . . . . ?
C18 C20 C21 C22 172.6(4) . . . . ?
C5 N1 C1 C6 -178.8(3) . . . . ?
C5 N1 C1 C2 3.7(5) . . . . ?
C5 C18 C25 N5 65.2(5) . . . . ?
C5 C18 C25 C26 -120.7(4) . . . . ?
C5 C18 C20 N4 -60.5(4) . . . . ?
C5 C18 C20 C21 125.1(4) . . . . ?
C29 N5 C25 C18 167.5(4) . . . . ?
C29 N5 C25 C26 -6.8(6) . . . . ?
C29 C28 C27 C26 -2.1(7) . . . . ?
C17 N3 C13 C6 178.3(3) . . . . ?
C17 N3 C13 C14 -4.1(6) . . . . ?
C17 C16 C15 C14 -1.6(6) . . . . ?
C13 N3 C17 C16 5.2(6) . . . . ?
C13 C6 C1 N1 -63.1(4) . . . . ?
C13 C6 C1 C2 114.4(4) . . . . ?
C13 C6 C8 N2 55.7(4) . . . . ?
C13 C6 C8 C9 -122.2(4) . . . . ?
C13 C14 C15 C16 2.6(6) . . . . ?
C25 N5 C29 C28 5.3(6) . . . . ?
C25 C18 C5 N1 -56.2(4) . . . . ?
C25 C18 C5 C4 126.1(4) . . . . ?
C25 C18 C20 N4 60.7(4) . . . . ?
C25 C18 C20 C21 -113.8(4) . . . . ?
C6 C13 C14 C15 177.7(4) . . . . ?
C6 C1 C2 C3 -178.6(4) . . . . ?
C14 C13 C6 C7 4.4(5) . . . . ?
C14 C13 C6 C1 -116.3(4) . . . . ?
C14 C13 C6 C8 124.7(4) . . . . ?
C7 C6 C1 N1 176.6(3) . . . . ?
C7 C6 C1 C2 -6.0(5) . . . . ?
C7 C6 C8 N2 176.1(3) . . . . ?
C7 C6 C8 C9 -1.9(5) . . . . ?
C20 N4 C24 C23 -0.2(5) . . . . ?
C20 C18 C5 N1 61.9(4) . . . . ?
C20 C18 C5 C4 -115.7(4) . . . . ?
C20 C18 C25 N5 -55.4(4) . . . . ?
C20 C18 C25 C26 118.7(4) . . . . ?
C9 C10 C11 C12 1.2(7) . . . . ?
C24 N4 C20 C18 -171.9(3) . . . . ?
C24 N4 C20 C21 2.7(5) . . . . ?
C28 C27 C26 C25 0.5(7) . . . . ?
C19 C18 C5 N1 -176.6(3) . . . . ?
C19 C18 C5 C4 5.7(5) . . . . ?
C19 C18 C25 N5 -174.7(4) . . . . ?
C19 C18 C25 C26 -0.5(6) . . . . ?
C19 C18 C20 N4 179.1(3) . . . . ?
C19 C18 C20 C21 4.7(5) . . . . ?
C1 N1 C5 C18 179.6(3) . . . . ?
C1 N1 C5 C4 -2.7(5) . . . . ?
C1 C6 C8 N2 -62.3(5) . . . . ?
C1 C6 C8 C9 119.7(4) . . . . ?
C1 C2 C3 C4 -2.4(6) . . . . ?
C12 N2 C8 C6 -174.8(3) . . . . ?
C12 N2 C8 C9 3.2(6) . . . . ?
C2 C3 C4 C5 3.4(6) . . . . ?
C21 C22 C23 C24 3.9(6) . . . . ?
C8 N2 C12 C11 -2.8(6) . . . . ?
C8 C6 C1 N1 55.5(4) . . . . ?
C8 C6 C1 C2 -127.0(4) . . . . ?
C8 C9 C10 C11 -0.8(6) . . . . ?
C23 C22 C21 C20 -1.6(6) . . . . ?
C10 C9 C8 N2 -1.4(6) . . . . ?
C10 C9 C8 C6 176.5(4) . . . . ?

_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_1
_database_code_depnum_ccdc_archive 'CCDC 1551291'
_audit_update_record             
;
2017-06-16 deposited with the CCDC.
2017-06-26 downloaded from the CCDC.
;
_audit_creation_date             2017-06-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C29 H25 N8 Ru, F6 P'
_chemical_formula_sum            'C29 H25 F6 N8 P Ru'
_chemical_formula_weight         731.61
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   9.805(4)
_cell_length_b                   12.202(4)
_cell_length_c                   12.256(5)
_cell_angle_alpha                94.783(11)
_cell_angle_beta                 99.495(12)
_cell_angle_gamma                106.992(16)
_cell_volume                     1369.6(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4637
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.17
_cell_measurement_theta_min      2.27
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.710
_exptl_absorpt_correction_T_max  0.9037
_exptl_absorpt_correction_T_min  0.7017
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Krause et al., 2015) was used for absorption correction.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.774
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0785
_diffrn_reflns_av_unetI/netI     0.0802
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            20179
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.404
_diffrn_reflns_theta_min         1.701
_diffrn_ambient_temperature      100.01
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4312
_reflns_number_total             5604
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'APEX2 Ver. 2014.11-0 (Bruker-AXS, 2014)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.165
_refine_diff_density_min         -0.471
_refine_diff_density_rms         0.131
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         5604
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0546
_refine_ls_restrained_S_all      1.022
_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)+(0.0701P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1213
_refine_ls_wR_factor_ref         0.1303
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C21(H21), C26(H26), C4(H4), C22(H22), C17(H17), C24(H24), C12(H12), C14(H14),
 C3(H3), C23(H23), C29(H29), C9(H9), C11(H11), C16(H16), C27(H27), C15(H15),
 C2(H2), C28(H28), C10(H10)
2.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C19(H19A,H19B,H19C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.86572(4) 0.21706(3) 0.73090(3) 0.01621(13) Uani 1 1 d . . . . .
P1 P 0.44441(15) 0.61352(11) 0.78872(11) 0.0271(3) Uani 1 1 d . . . . .
F1 F 0.3019(3) 0.6119(2) 0.8382(2) 0.0286(7) Uani 1 1 d . . . . .
F2 F 0.4895(3) 0.7517(3) 0.8011(3) 0.0379(8) Uani 1 1 d . . . . .
F4 F 0.5851(3) 0.6160(3) 0.7384(3) 0.0441(8) Uani 1 1 d . . . . .
F3 F 0.3547(4) 0.6070(4) 0.6665(3) 0.0567(11) Uani 1 1 d . . . . .
N5 N 0.8481(4) 0.0668(3) 0.8008(3) 0.0168(8) Uani 1 1 d . . . . .
F5 F 0.5347(4) 0.6257(4) 0.9116(3) 0.0567(10) Uani 1 1 d . . . . .
N1 N 0.6837(4) 0.2243(3) 0.7848(3) 0.0155(8) Uani 1 1 d . . . . .
N2 N 0.7395(4) 0.1459(3) 0.5740(3) 0.0190(8) Uani 1 1 d . . . . .
N4 N 0.9853(4) 0.2947(3) 0.8881(3) 0.0150(8) Uani 1 1 d . . . . .
N3 N 0.8769(4) 0.3700(3) 0.6653(3) 0.0159(8) Uani 1 1 d . . . . .
N6 N 1.0584(4) 0.2095(4) 0.6823(3) 0.0239(9) Uani 1 1 d . . . . .
F6 F 0.3954(5) 0.4778(3) 0.7763(4) 0.0916(17) Uani 1 1 d . . . . .
C1 C 0.5781(5) 0.2533(4) 0.7173(4) 0.0181(10) Uani 1 1 d . . . . .
C21 C 0.9891(5) 0.3362(4) 1.0815(4) 0.0204(10) Uani 1 1 d . . . . .
H21 H 0.942417 0.321869 1.143224 0.024 Uiso 1 1 calc R . . . .
C25 C 0.8100(5) 0.0592(4) 0.9018(4) 0.0178(10) Uani 1 1 d . . . . .
C13 C 0.7511(5) 0.3897(4) 0.6209(4) 0.0188(10) Uani 1 1 d . . . . .
C26 C 0.7973(5) -0.0412(4) 0.9510(4) 0.0221(11) Uani 1 1 d . . . . .
H26 H 0.773244 -0.044227 1.022865 0.027 Uiso 1 1 calc R . . . .
C4 C 0.5348(5) 0.1965(4) 0.9232(4) 0.0198(10) Uani 1 1 d . . . . .
H4 H 0.521769 0.176830 0.995004 0.024 Uiso 1 1 calc R . . . .
C8 C 0.6303(5) 0.1874(4) 0.5318(4) 0.0200(10) Uani 1 1 d . . . . .
C22 C 1.1207(5) 0.4222(4) 1.0952(4) 0.0226(11) Uani 1 1 d . . . . .
H22 H 1.164116 0.468573 1.165618 0.027 Uiso 1 1 calc R . . . .
C5 C 0.6613(5) 0.1960(4) 0.8863(4) 0.0171(10) Uani 1 1 d . . . . .
C6 C 0.6098(5) 0.2881(4) 0.6048(4) 0.0198(10) Uani 1 1 d . . . . .
C20 C 0.9247(5) 0.2707(4) 0.9779(4) 0.0159(9) Uani 1 1 d . . . . .
C17 C 1.0040(5) 0.4532(4) 0.6673(4) 0.0200(10) Uani 1 1 d . . . . .
H17 H 1.092239 0.437603 0.693633 0.024 Uiso 1 1 calc R . . . .
C24 C 1.1177(5) 0.3751(4) 0.9043(4) 0.0199(10) Uani 1 1 d . . . . .
H24 H 1.164164 0.387270 0.842194 0.024 Uiso 1 1 calc R . . . .
N7 N 1.0861(5) 0.1904(4) 0.5942(4) 0.0408(12) Uani 1 1 d . . . . .
C12 C 0.7666(5) 0.0647(4) 0.5075(4) 0.0211(10) Uani 1 1 d . . . . .
H12 H 0.843701 0.036182 0.536234 0.025 Uiso 1 1 calc R . . . .
C7 C 0.4826(5) 0.3236(4) 0.5441(4) 0.0245(11) Uani 1 1 d . . . . .
H7A H 0.393392 0.257468 0.529671 0.037 Uiso 1 1 calc GR . . . .
H7B H 0.503744 0.348498 0.473000 0.037 Uiso 1 1 calc GR . . . .
H7C H 0.469508 0.387519 0.590763 0.037 Uiso 1 1 calc GR . . . .
C14 C 0.7536(6) 0.4960(4) 0.5873(4) 0.0237(11) Uani 1 1 d . . . . .
H14 H 0.664743 0.509661 0.558792 0.028 Uiso 1 1 calc R . . . .
C3 C 0.4292(5) 0.2255(4) 0.8552(4) 0.0234(11) Uani 1 1 d . . . . .
H3 H 0.341853 0.225771 0.878968 0.028 Uiso 1 1 calc R . . . .
C19 C 0.7447(5) 0.1415(4) 1.0734(4) 0.0225(11) Uani 1 1 d . . . . .
H19A H 0.659154 0.072512 1.061853 0.034 Uiso 1 1 calc GR . . . .
H19B H 0.722561 0.207672 1.108691 0.034 Uiso 1 1 calc GR . . . .
H19C H 0.826461 0.127966 1.121957 0.034 Uiso 1 1 calc GR . . . .
C23 C 1.1882(5) 0.4398(4) 1.0051(4) 0.0228(11) Uani 1 1 d . . . . .
H23 H 1.281283 0.495513 1.012932 0.027 Uiso 1 1 calc R . . . .
C29 C 0.8734(5) -0.0266(4) 0.7506(4) 0.0238(11) Uani 1 1 d . . . . .
H29 H 0.903119 -0.021505 0.680761 0.029 Uiso 1 1 calc R . . . .
C9 C 0.5469(5) 0.1436(4) 0.4263(4) 0.0243(11) Uani 1 1 d . . . . .
H9 H 0.468760 0.171750 0.399433 0.029 Uiso 1 1 calc R . . . .
C18 C 0.7850(5) 0.1671(4) 0.9609(4) 0.0181(10) Uani 1 1 d . . . . .
C11 C 0.6900(6) 0.0199(4) 0.4003(4) 0.0266(11) Uani 1 1 d . . . . .
H11 H 0.715007 -0.036180 0.356089 0.032 Uiso 1 1 calc R . . . .
C16 C 1.0122(5) 0.5593(4) 0.6332(4) 0.0228(11) Uani 1 1 d . . . . .
H16 H 1.103852 0.615317 0.635859 0.027 Uiso 1 1 calc R . . . .
C27 C 0.8192(5) -0.1362(4) 0.8965(4) 0.0247(11) Uani 1 1 d . . . . .
H27 H 0.807175 -0.205648 0.928869 0.030 Uiso 1 1 calc R . . . .
N8 N 1.1133(6) 0.1632(4) 0.5022(5) 0.0476(14) Uani 1 1 d . . . . .
C15 C 0.8844(6) 0.5824(4) 0.5950(4) 0.0272(12) Uani 1 1 d . . . . .
H15 H 0.886149 0.656061 0.574328 0.033 Uiso 1 1 calc R . . . .
C2 C 0.4515(5) 0.2546(4) 0.7512(4) 0.0212(10) Uani 1 1 d . . . . .
H2 H 0.379351 0.275477 0.703289 0.025 Uiso 1 1 calc R . . . .
C28 C 0.8585(6) -0.1283(4) 0.7951(4) 0.0292(12) Uani 1 1 d . . . . .
H28 H 0.875406 -0.192033 0.755788 0.035 Uiso 1 1 calc R . . . .
C10 C 0.5754(6) 0.0595(4) 0.3592(4) 0.0298(12) Uani 1 1 d . . . . .
H10 H 0.517841 0.029525 0.286701 0.036 Uiso 1 1 calc R . . . .


_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 N5 2.062(4) . ?
Ru1 N1 2.026(4) . ?
Ru1 N2 2.072(4) . ?
Ru1 N4 2.070(4) . ?
Ru1 N3 2.074(4) . ?
Ru1 N6 2.097(4) . ?
P1 F1 1.609(3) . ?
P1 F2 1.601(3) . ?
P1 F4 1.595(3) . ?
P1 F3 1.590(4) . ?
P1 F5 1.587(4) . ?
P1 F6 1.570(4) . ?
N5 C25 1.353(6) . ?
N5 C29 1.356(5) . ?
N1 C1 1.364(5) . ?
N1 C5 1.353(6) . ?
N2 C8 1.359(6) . ?
N2 C12 1.345(6) . ?
N4 C20 1.348(6) . ?
N4 C24 1.351(6) . ?
N3 C13 1.360(6) . ?
N3 C17 1.353(6) . ?
N6 N7 1.176(6) . ?
C1 C6 1.530(6) . ?
C1 C2 1.377(6) . ?
C21 H21 0.9500 . ?
C21 C22 1.379(7) . ?
C21 C20 1.386(6) . ?
C25 C26 1.392(6) . ?
C25 C18 1.551(6) . ?
C13 C6 1.536(7) . ?
C13 C14 1.388(6) . ?
C26 H26 0.9500 . ?
C26 C27 1.379(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.391(6) . ?
C4 C3 1.367(6) . ?
C8 C6 1.540(6) . ?
C8 C9 1.381(6) . ?
C22 H22 0.9500 . ?
C22 C23 1.379(7) . ?
C5 C18 1.540(6) . ?
C6 C7 1.536(6) . ?
C20 C18 1.538(6) . ?
C17 H17 0.9500 . ?
C17 C16 1.378(6) . ?
C24 H24 0.9500 . ?
C24 C23 1.365(7) . ?
N7 N8 1.241(7) . ?
C12 H12 0.9500 . ?
C12 C11 1.379(7) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C14 H14 0.9500 . ?
C14 C15 1.386(7) . ?
C3 H3 0.9500 . ?
C3 C2 1.386(7) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C19 C18 1.529(6) . ?
C23 H23 0.9500 . ?
C29 H29 0.9500 . ?
C29 C28 1.376(7) . ?
C9 H9 0.9500 . ?
C9 C10 1.382(7) . ?
C11 H11 0.9500 . ?
C11 C10 1.385(7) . ?
C16 H16 0.9500 . ?
C16 C15 1.380(7) . ?
C27 H27 0.9500 . ?
C27 C28 1.363(7) . ?
C15 H15 0.9500 . ?
C2 H2 0.9500 . ?
C28 H28 0.9500 . ?
C10 H10 0.9500 . ?

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 N2 98.91(15) . . ?
N5 Ru1 N4 83.20(14) . . ?
N5 Ru1 N3 177.27(14) . . ?
N5 Ru1 N6 90.39(15) . . ?
N1 Ru1 N5 88.26(14) . . ?
N1 Ru1 N2 89.02(15) . . ?
N1 Ru1 N4 88.62(14) . . ?
N1 Ru1 N3 89.14(14) . . ?
N1 Ru1 N6 177.51(15) . . ?
N2 Ru1 N3 81.89(14) . . ?
N2 Ru1 N6 93.26(15) . . ?
N4 Ru1 N2 176.78(13) . . ?
N4 Ru1 N3 95.90(14) . . ?
N4 Ru1 N6 89.14(15) . . ?
N3 Ru1 N6 92.18(15) . . ?
F2 P1 F1 89.15(15) . . ?
F4 P1 F1 179.25(18) . . ?
F4 P1 F2 90.43(17) . . ?
F3 P1 F1 89.37(17) . . ?
F3 P1 F2 89.2(2) . . ?
F3 P1 F4 90.00(18) . . ?
F5 P1 F1 90.13(17) . . ?
F5 P1 F2 88.5(2) . . ?
F5 P1 F4 90.48(18) . . ?
F5 P1 F3 177.6(2) . . ?
F6 P1 F1 89.34(18) . . ?
F6 P1 F2 178.3(2) . . ?
F6 P1 F4 91.07(19) . . ?
F6 P1 F3 90.1(3) . . ?
F6 P1 F5 92.3(3) . . ?
C25 N5 Ru1 119.5(3) . . ?
C25 N5 C29 117.3(4) . . ?
C29 N5 Ru1 123.2(3) . . ?
C1 N1 Ru1 120.4(3) . . ?
C5 N1 Ru1 120.9(3) . . ?
C5 N1 C1 118.7(4) . . ?
C8 N2 Ru1 119.6(3) . . ?
C12 N2 Ru1 122.8(3) . . ?
C12 N2 C8 117.5(4) . . ?
C20 N4 Ru1 118.9(3) . . ?
C20 N4 C24 118.2(4) . . ?
C24 N4 Ru1 122.7(3) . . ?
C13 N3 Ru1 118.9(3) . . ?
C17 N3 Ru1 123.0(3) . . ?
C17 N3 C13 118.1(4) . . ?
N7 N6 Ru1 132.2(4) . . ?
N1 C1 C6 116.9(4) . . ?
N1 C1 C2 121.1(4) . . ?
C2 C1 C6 122.0(4) . . ?
C22 C21 H21 119.9 . . ?
C22 C21 C20 120.2(4) . . ?
C20 C21 H21 119.9 . . ?
N5 C25 C26 120.7(4) . . ?
N5 C25 C18 117.4(4) . . ?
C26 C25 C18 121.8(4) . . ?
N3 C13 C6 117.1(4) . . ?
N3 C13 C14 120.5(4) . . ?
C14 C13 C6 122.3(4) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 C25 120.8(4) . . ?
C27 C26 H26 119.6 . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C3 C4 C5 119.4(4) . . ?
N2 C8 C6 116.8(4) . . ?
N2 C8 C9 120.8(4) . . ?
C9 C8 C6 122.3(4) . . ?
C21 C22 H22 120.5 . . ?
C21 C22 C23 118.9(4) . . ?
C23 C22 H22 120.5 . . ?
N1 C5 C4 121.8(4) . . ?
N1 C5 C18 116.8(4) . . ?
C4 C5 C18 121.3(4) . . ?
C1 C6 C13 110.9(4) . . ?
C1 C6 C8 110.9(4) . . ?
C1 C6 C7 109.1(4) . . ?
C13 C6 C8 106.9(4) . . ?
C13 C6 C7 109.3(4) . . ?
C7 C6 C8 109.6(4) . . ?
N4 C20 C21 120.5(4) . . ?
N4 C20 C18 117.5(4) . . ?
C21 C20 C18 122.0(4) . . ?
N3 C17 H17 118.3 . . ?
N3 C17 C16 123.4(4) . . ?
C16 C17 H17 118.3 . . ?
N4 C24 H24 118.3 . . ?
N4 C24 C23 123.5(4) . . ?
C23 C24 H24 118.3 . . ?
N6 N7 N8 176.1(6) . . ?
N2 C12 H12 117.8 . . ?
N2 C12 C11 124.4(4) . . ?
C11 C12 H12 117.8 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.6(5) . . ?
C15 C14 H14 119.7 . . ?
C4 C3 H3 120.4 . . ?
C4 C3 C2 119.1(4) . . ?
C2 C3 H3 120.4 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
C22 C23 H23 120.9 . . ?
C24 C23 C22 118.3(5) . . ?
C24 C23 H23 120.9 . . ?
N5 C29 H29 118.1 . . ?
N5 C29 C28 123.7(5) . . ?
C28 C29 H29 118.1 . . ?
C8 C9 H9 119.5 . . ?
C8 C9 C10 121.0(4) . . ?
C10 C9 H9 119.5 . . ?
C5 C18 C25 109.1(3) . . ?
C20 C18 C25 109.3(4) . . ?
C20 C18 C5 108.7(3) . . ?
C19 C18 C25 109.3(4) . . ?
C19 C18 C5 110.1(4) . . ?
C19 C18 C20 110.3(4) . . ?
C12 C11 H11 121.1 . . ?
C12 C11 C10 117.8(4) . . ?
C10 C11 H11 121.1 . . ?
C17 C16 H16 120.7 . . ?
C17 C16 C15 118.5(5) . . ?
C15 C16 H16 120.7 . . ?
C26 C27 H27 120.7 . . ?
C28 C27 C26 118.5(4) . . ?
C28 C27 H27 120.7 . . ?
C14 C15 H15 120.7 . . ?
C16 C15 C14 118.7(5) . . ?
C16 C15 H15 120.7 . . ?
C1 C2 C3 120.0(4) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C29 C28 H28 120.6 . . ?
C27 C28 C29 118.9(5) . . ?
C27 C28 H28 120.6 . . ?
C9 C10 C11 118.4(5) . . ?
C9 C10 H10 120.8 . . ?
C11 C10 H10 120.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 N5 C25 C26 180.0(3) . . . . ?
Ru1 N5 C25 C18 -1.4(5) . . . . ?
Ru1 N5 C29 C28 -178.3(4) . . . . ?
Ru1 N1 C1 C6 -4.4(5) . . . . ?
Ru1 N1 C1 C2 177.7(3) . . . . ?
Ru1 N1 C5 C4 -177.7(3) . . . . ?
Ru1 N1 C5 C18 4.3(5) . . . . ?
Ru1 N2 C8 C6 1.1(5) . . . . ?
Ru1 N2 C8 C9 178.3(3) . . . . ?
Ru1 N2 C12 C11 -176.3(4) . . . . ?
Ru1 N4 C20 C21 -167.9(3) . . . . ?
Ru1 N4 C20 C18 13.5(5) . . . . ?
Ru1 N4 C24 C23 169.6(3) . . . . ?
Ru1 N3 C13 C6 -10.0(5) . . . . ?
Ru1 N3 C13 C14 173.0(3) . . . . ?
Ru1 N3 C17 C16 -173.9(3) . . . . ?
N5 C25 C26 C27 -1.8(7) . . . . ?
N5 C25 C18 C5 60.1(5) . . . . ?
N5 C25 C18 C20 -58.6(5) . . . . ?
N5 C25 C18 C19 -179.5(4) . . . . ?
N5 C29 C28 C27 -1.5(8) . . . . ?
N1 C1 C6 C13 -56.5(5) . . . . ?
N1 C1 C6 C8 62.1(5) . . . . ?
N1 C1 C6 C7 -177.0(4) . . . . ?
N1 C1 C2 C3 -0.4(7) . . . . ?
N1 C5 C18 C25 -62.1(5) . . . . ?
N1 C5 C18 C20 57.0(5) . . . . ?
N1 C5 C18 C19 177.9(4) . . . . ?
N2 C8 C6 C1 -59.6(5) . . . . ?
N2 C8 C6 C13 61.5(5) . . . . ?
N2 C8 C6 C7 179.9(4) . . . . ?
N2 C8 C9 C10 -2.3(7) . . . . ?
N2 C12 C11 C10 -1.4(7) . . . . ?
N4 C20 C18 C25 51.3(5) . . . . ?
N4 C20 C18 C5 -67.7(5) . . . . ?
N4 C20 C18 C19 171.5(4) . . . . ?
N4 C24 C23 C22 0.0(7) . . . . ?
N3 C13 C6 C1 64.9(5) . . . . ?
N3 C13 C6 C8 -56.1(5) . . . . ?
N3 C13 C6 C7 -174.7(4) . . . . ?
N3 C13 C14 C15 2.1(7) . . . . ?
N3 C17 C16 C15 0.1(7) . . . . ?
C1 N1 C5 C4 -0.4(6) . . . . ?
C1 N1 C5 C18 -178.4(4) . . . . ?
C21 C22 C23 C24 3.4(7) . . . . ?
C21 C20 C18 C25 -127.3(4) . . . . ?
C21 C20 C18 C5 113.7(4) . . . . ?
C21 C20 C18 C19 -7.1(6) . . . . ?
C25 N5 C29 C28 1.9(7) . . . . ?
C25 C26 C27 C28 2.2(7) . . . . ?
C13 N3 C17 C16 4.1(6) . . . . ?
C13 C14 C15 C16 2.1(7) . . . . ?
C26 C25 C18 C5 -121.3(4) . . . . ?
C26 C25 C18 C20 120.0(4) . . . . ?
C26 C25 C18 C19 -0.8(6) . . . . ?
C26 C27 C28 C29 -0.6(7) . . . . ?
C4 C5 C18 C25 119.9(4) . . . . ?
C4 C5 C18 C20 -121.0(4) . . . . ?
C4 C5 C18 C19 -0.1(6) . . . . ?
C4 C3 C2 C1 0.4(7) . . . . ?
C8 N2 C12 C11 -0.8(7) . . . . ?
C8 C9 C10 C11 0.0(7) . . . . ?
C22 C21 C20 N4 -4.0(6) . . . . ?
C22 C21 C20 C18 174.6(4) . . . . ?
C5 N1 C1 C6 178.3(4) . . . . ?
C5 N1 C1 C2 0.4(6) . . . . ?
C5 C4 C3 C2 -0.4(7) . . . . ?
C6 C1 C2 C3 -178.2(4) . . . . ?
C6 C13 C14 C15 -174.7(4) . . . . ?
C6 C8 C9 C10 174.7(4) . . . . ?
C20 N4 C24 C23 -5.4(6) . . . . ?
C20 C21 C22 C23 -1.5(7) . . . . ?
C17 N3 C13 C6 171.9(4) . . . . ?
C17 N3 C13 C14 -5.1(6) . . . . ?
C17 C16 C15 C14 -3.2(7) . . . . ?
C24 N4 C20 C21 7.3(6) . . . . ?
C24 N4 C20 C18 -171.4(4) . . . . ?
C12 N2 C8 C6 -174.5(4) . . . . ?
C12 N2 C8 C9 2.7(6) . . . . ?
C12 C11 C10 C9 1.8(7) . . . . ?
C14 C13 C6 C1 -118.1(4) . . . . ?
C14 C13 C6 C8 120.8(4) . . . . ?
C14 C13 C6 C7 2.2(6) . . . . ?
C3 C4 C5 N1 0.4(7) . . . . ?
C3 C4 C5 C18 178.4(4) . . . . ?
C29 N5 C25 C26 -0.2(6) . . . . ?
C29 N5 C25 C18 178.4(4) . . . . ?
C9 C8 C6 C1 123.2(5) . . . . ?
C9 C8 C6 C13 -115.7(5) . . . . ?
C9 C8 C6 C7 2.7(6) . . . . ?
C18 C25 C26 C27 179.6(4) . . . . ?
C2 C1 C6 C13 121.4(5) . . . . ?
C2 C1 C6 C8 -120.0(5) . . . . ?
C2 C1 C6 C7 0.9(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
