# Electronic Supplementary Material (ESI) for ChemComm.
# 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_062915a_xie
_database_code_depnum_ccdc_archive 'CCDC 1495721'
_audit_update_record             
;
2016-07-25 deposited with the CCDC.
2016-08-19 downloaded from the CCDC.
;
_audit_creation_date             
;
'Thu Jul 02 16:25:27 2015'
;
_audit_creation_method           
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C25 H28 N4 O2 Ru, 2(F3 P0.5)'
_chemical_formula_sum            'C25 H28 F6 N4 O2 P Ru'
_chemical_formula_weight         662.55
_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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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'

_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_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z+1/2'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x, -y, z-1/2'
7 '-x+1/2, -y+1/2, -z'
8 'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   30.6243(5)
_cell_length_b                   19.9078(3)
_cell_length_c                   11.58630(18)
_cell_angle_alpha                90.0
_cell_angle_beta                 102.8133(16)
_cell_angle_gamma                90.0
_cell_volume                     6887.8(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6935
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      71.6066
_cell_measurement_theta_min      2.9572
_cell_oxdiff_angle_alpha         89.946(3)
_cell_oxdiff_angle_beta          102.772(3)
_cell_oxdiff_angle_gamma         90.002(3)
_cell_oxdiff_length_a            30.6191(12)
_cell_oxdiff_length_b            19.9011(8)
_cell_oxdiff_length_c            11.5903(5)
_cell_oxdiff_measurement_reflns_used 6934
_cell_oxdiff_volume              6887.8(5)
_exptl_absorpt_coefficient_mu    4.632
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67017
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2680
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.02
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_unetI/netI     0.0784
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            15986
_diffrn_reflns_theta_full        66.99
_diffrn_reflns_theta_max         66.99
_diffrn_reflns_theta_min         2.96
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 16.1270
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   10.00   48.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000 -110.0000   -6.0000 38

#__ type_ start__ end____ width___ exp.time_
  2 omega  -24.00   40.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -        0.0000  -99.0000 -180.0000 64

#__ type_ start__ end____ width___ exp.time_
  3 omega  -72.00    9.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -      -55.0000   57.0000 -150.0000 81

#__ type_ start__ end____ width___ exp.time_
  4 omega -124.00  -92.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -      -55.0000  -57.0000 -180.0000 32

#__ type_ start__ end____ width___ exp.time_
  5 omega   73.00   98.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -       55.0000  125.0000   90.0000 25

#__ type_ start__ end____ width___ exp.time_
  6 omega   73.00  120.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -       55.0000  125.0000  150.0000 47

#__ type_ start__ end____ width___ exp.time_
  7 omega   73.00   98.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -       55.0000  125.0000 -120.0000 25

#__ type_ start__ end____ width___ exp.time_
  8 omega  -10.00   70.00   1.0000   32.0000
omega____ theta____ kappa____ phi______ frames
    -       55.0000  -57.0000  -90.0000 80

#__ type_ start__ end____ width___ exp.time_
  9 omega  -63.00  -11.00   1.0000   64.0000
omega____ theta____ kappa____ phi______ frames
    -      -64.0000   37.0000  -60.0000 52

#__ type_ start__ end____ width___ exp.time_
 10 omega   40.00   72.00   1.0000   64.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -25.0000 -150.0000 32

#__ type_ start__ end____ width___ exp.time_
 11 omega   52.00   83.00   1.0000   64.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -50.0000 -180.0000 31

#__ type_ start__ end____ width___ exp.time_
 12 omega   37.00   72.00   1.0000   64.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -25.0000   90.0000 35

#__ type_ start__ end____ width___ exp.time_
 13 omega   38.00   64.00   1.0000   64.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -37.0000  -60.0000 26

#__ type_ start__ end____ width___ exp.time_
 14 omega   38.00   65.00   1.0000   64.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000 -111.0000 -120.0000 27

#__ type_ start__ end____ width___ exp.time_
 15 omega   54.00   80.00   1.0000   64.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -50.0000 -120.0000 26

#__ type_ start__ end____ width___ exp.time_
 16 omega   39.00   68.00   1.0000   64.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -25.0000   30.0000 29

#__ type_ start__ end____ width___ exp.time_
 17 omega   53.00   89.00   1.0000   64.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000 -111.0000  -60.0000 36

#__ type_ start__ end____ width___ exp.time_
 18 omega   37.00   67.00   1.0000   64.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -25.0000   60.0000 30

#__ type_ start__ end____ width___ exp.time_
 19 omega   42.00   87.00   1.0000   64.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000 -111.0000 -150.0000 45

#__ type_ start__ end____ width___ exp.time_
 20 omega   96.00  168.00   1.0000   64.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000   50.0000  120.0000 72

#__ type_ start__ end____ width___ exp.time_
 21 omega   41.00   80.00   1.0000   64.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000 -111.0000    0.0000 39

#__ type_ start__ end____ width___ exp.time_
 22 omega   39.00   69.00   1.0000   64.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -25.0000  120.0000 30

#__ type_ start__ end____ width___ exp.time_
 23 omega   49.00   76.00   1.0000   64.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -50.0000    0.0000 27

#__ type_ start__ end____ width___ exp.time_
 24 omega   88.00  165.00   1.0000   64.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000   63.0000    0.0000 77

#__ type_ start__ end____ width___ exp.time_
 25 omega   39.00   68.00   1.0000   64.0000
omega____ theta____ kappa____ phi______ frames
    -      110.0000  -25.0000 -120.0000 29
;
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0383909000
_diffrn_orient_matrix_UB_12      0.0350542000
_diffrn_orient_matrix_UB_13      -0.0428889000
_diffrn_orient_matrix_UB_21      0.0327961000
_diffrn_orient_matrix_UB_22      -0.0546608000
_diffrn_orient_matrix_UB_23      0.0607439000
_diffrn_orient_matrix_UB_31      -0.0105855000
_diffrn_orient_matrix_UB_32      -0.0421434000
_diffrn_orient_matrix_UB_33      -0.1142190000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'Enhance Ultra (Cu) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5451
_reflns_number_total             6148
_reflns_odcompleteness_completeness 98.12
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     71.61
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_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    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.308
_refine_diff_density_min         -0.555
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         6148
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0407
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0661P)²+7.3987P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1083
_refine_ls_wR_factor_ref         0.1120
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.500 -0.024 1033 188 ' '
2 0.500 0.000 0.106 1033 188 ' '
_platon_squeeze_details          
;
;

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Ru1 Ru 0.180743(7) 0.188826(11) 0.424443(17) 0.03587(10) Uani 1 1 d . . . .
P1 P 0.0000 0.02407(7) 0.2500 0.0459(3) Uani 1 2 d . . S T
P2 P 0.2500 0.7500 0.5000 0.0638(4) Uani 1 2 d . . S T
F1 F 0.05335(7) 0.02361(13) 0.2835(2) 0.0680(6) Uani 1 1 d . . . .
F2 F -0.00152(10) 0.0184(3) 0.3813(2) 0.1277(16) Uani 1 1 d . . . .
F3 F 0.0000 0.1006(2) 0.2500 0.138(2) Uani 1 2 d . . S T
F4 F 0.0000 -0.0561(2) 0.2500 0.135(2) Uani 1 2 d . . S T
F5 F 0.28173(15) 0.7786(2) 0.6153(3) 0.1247(13) Uani 1 1 d . . . .
F6 F 0.2619(2) 0.81020(19) 0.4289(4) 0.156(2) Uani 1 1 d . . . .
F7 F 0.21212(16) 0.7906(2) 0.5373(4) 0.1507(18) Uani 1 1 d . . . .
O1 O 0.23048(8) 0.15482(10) 0.55558(18) 0.0427(5) Uani 1 1 d . . . .
O2 O 0.18048(8) 0.27940(11) 0.50313(19) 0.0442(5) Uani 1 1 d . . . .
N1 N 0.17782(9) 0.10180(13) 0.3378(2) 0.0406(6) Uani 1 1 d . . . .
N2 N 0.13366(9) 0.21613(15) 0.2850(2) 0.0446(6) Uani 1 1 d . . . .
N3 N 0.22887(9) 0.22524(14) 0.3358(2) 0.0419(6) Uani 1 1 d . . . .
H3A H 0.2553 0.2037 0.3632 0.063 Uiso 1 1 calc . . GR .
H3B H 0.2327 0.2701 0.3490 0.063 Uiso 1 1 calc . . GR .
H3C H 0.2194 0.2176 0.2568 0.063 Uiso 1 1 calc . . GR .
N4 N 0.13728(10) 0.15822(14) 0.5309(2) 0.0439(6) Uani 1 1 d . . . .
C1 C 0.23845(11) 0.09046(16) 0.5789(3) 0.0436(7) Uani 1 1 d . . . .
C2 C 0.26404(14) 0.0736(2) 0.6917(3) 0.0581(9) Uani 1 1 d . . . .
H2 H 0.2732 0.1080 0.7487 0.070 Uiso 1 1 calc . . R .
C3 C 0.27590(17) 0.0082(2) 0.7205(4) 0.0734(12) Uani 1 1 d . . . .
H3 H 0.2929 -0.0020 0.7974 0.088 Uiso 1 1 calc . . R .
C4 C 0.26339(17) -0.0436(2) 0.6383(4) 0.0724(12) Uani 1 1 d . . . .
H4 H 0.2726 -0.0885 0.6581 0.087 Uiso 1 1 calc . . R .
C5 C 0.23774(15) -0.02862(19) 0.5289(4) 0.0609(10) Uani 1 1 d . . . .
H5 H 0.2290 -0.0638 0.4733 0.073 Uiso 1 1 calc . . R .
C6 C 0.22387(12) 0.03750(17) 0.4966(3) 0.0463(7) Uani 1 1 d . . . .
C7 C 0.19685(12) 0.04650(16) 0.3798(3) 0.0464(8) Uani 1 1 d . . . .
H7 H 0.1926 0.0085 0.3291 0.056 Uiso 1 1 calc . . R .
C8 C 0.15468(12) 0.10987(19) 0.2096(3) 0.0505(8) Uani 1 1 d . . . .
H8 H 0.1767 0.1316 0.1691 0.061 Uiso 1 1 calc . . R .
C9 C 0.13939(15) 0.0458(2) 0.1430(3) 0.0608(10) Uani 1 1 d . . . .
H9A H 0.1177 0.0219 0.1803 0.073 Uiso 1 1 calc . . R .
H9B H 0.1653 0.0158 0.1441 0.073 Uiso 1 1 calc . . R .
C10 C 0.11698(18) 0.0651(3) 0.0139(3) 0.0755(13) Uani 1 1 d . . . .
H10A H 0.1399 0.0846 -0.0247 0.091 Uiso 1 1 calc . . R .
H10B H 0.1051 0.0241 -0.0302 0.091 Uiso 1 1 calc . . R .
C11 C 0.07997(17) 0.1142(3) 0.0070(3) 0.0778(14) Uani 1 1 d . . . .
H11A H 0.0558 0.0933 0.0386 0.093 Uiso 1 1 calc . . R .
H11B H 0.0676 0.1258 -0.0769 0.093 Uiso 1 1 calc . . R .
C12 C 0.09529(15) 0.1778(2) 0.0756(3) 0.0650(11) Uani 1 1 d . . . .
H12A H 0.0694 0.2081 0.0733 0.078 Uiso 1 1 calc . . R .
H12B H 0.1174 0.2017 0.0397 0.078 Uiso 1 1 calc . . R .
C13 C 0.11649(12) 0.1592(2) 0.2034(3) 0.0532(9) Uani 1 1 d . . . .
H13 H 0.0930 0.1359 0.2362 0.064 Uiso 1 1 calc . . R .
C14 C 0.11940(13) 0.2765(2) 0.2614(3) 0.0595(9) Uani 1 1 d . . . .
H14 H 0.0989 0.2835 0.1879 0.071 Uiso 1 1 calc . . R .
C15 C 0.13146(14) 0.3339(2) 0.3354(4) 0.0640(10) Uani 1 1 d . . . .
C16 C 0.1113(2) 0.3950(3) 0.2918(5) 0.0983(19) Uani 1 1 d . . . .
H16 H 0.0921 0.3959 0.2153 0.118 Uiso 1 1 calc . . R .
C17 C 0.1185(2) 0.4530(3) 0.3555(7) 0.120(3) Uani 1 1 d . . . .
H17 H 0.1052 0.4938 0.3228 0.143 Uiso 1 1 calc . . R .
C18 C 0.1457(2) 0.4520(3) 0.4692(6) 0.101(2) Uani 1 1 d . . . .
H18 H 0.1509 0.4923 0.5141 0.122 Uiso 1 1 calc . . R .
C19 C 0.16493(16) 0.3929(2) 0.5167(4) 0.0713(12) Uani 1 1 d . . . .
H19 H 0.1823 0.3927 0.5954 0.086 Uiso 1 1 calc . . R .
C20 C 0.15943(12) 0.33291(19) 0.4510(3) 0.0518(8) Uani 1 1 d . . . .
C21 C 0.09976(13) 0.12345(19) 0.4953(3) 0.0536(9) Uani 1 1 d . . . .
H21 H 0.0913 0.1103 0.4147 0.064 Uiso 1 1 calc . . R .
C22 C 0.07270(16) 0.1058(3) 0.5700(4) 0.0744(13) Uani 1 1 d . . . .
H22 H 0.0464 0.0801 0.5417 0.089 Uiso 1 1 calc . . R .
C23 C 0.08399(18) 0.1255(3) 0.6858(4) 0.0851(16) Uani 1 1 d . . . .
H23 H 0.0653 0.1148 0.7385 0.102 Uiso 1 1 calc . . R .
C24 C 0.12307(18) 0.1614(2) 0.7249(4) 0.0742(13) Uani 1 1 d . . . .
H24 H 0.1320 0.1750 0.8052 0.089 Uiso 1 1 calc . . R .
C25 C 0.14884(15) 0.1772(2) 0.6458(3) 0.0573(10) Uani 1 1 d . . . .
H25 H 0.1756 0.2021 0.6724 0.069 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 O1 2.017(2) . ?
Ru1 O2 2.022(2) . ?
Ru1 N1 1.995(3) . ?
Ru1 N2 1.990(3) . ?
Ru1 N3 2.104(2) . ?
Ru1 N4 2.097(3) . ?
P1 F1 1.595(2) . ?
P1 F1 1.595(2) 2 ?
P1 F2 1.538(3) . ?
P1 F2 1.538(3) 2 ?
P1 F3 1.524(4) . ?
P1 F4 1.597(5) . ?
P2 F5 1.575(4) 7_566 ?
P2 F5 1.575(4) . ?
P2 F6 1.544(3) . ?
P2 F6 1.544(3) 7_566 ?
P2 F7 1.552(3) . ?
P2 F7 1.552(3) 7_566 ?
O1 C1 1.321(4) . ?
O2 C20 1.320(4) . ?
N1 C7 1.290(4) . ?
N1 C8 1.507(4) . ?
N2 C13 1.495(4) . ?
N2 C14 1.287(5) . ?
N3 H3A 0.9100 . ?
N3 H3B 0.9100 . ?
N3 H3C 0.9100 . ?
N4 C21 1.327(4) . ?
N4 C25 1.354(4) . ?
C1 C2 1.408(5) . ?
C1 C6 1.426(5) . ?
C2 H2 0.9500 . ?
C2 C3 1.372(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.399(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.369(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.408(5) . ?
C6 C7 1.434(5) . ?
C7 H7 0.9500 . ?
C8 H8 1.0000 . ?
C8 C9 1.511(5) . ?
C8 C13 1.517(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.551(5) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.485(7) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.514(6) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C13 1.526(5) . ?
C13 H13 1.0000 . ?
C14 H14 0.9500 . ?
C14 C15 1.427(6) . ?
C15 C16 1.408(6) . ?
C15 C20 1.422(6) . ?
C16 H16 0.9500 . ?
C16 C17 1.362(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.395(8) . ?
C18 H18 0.9500 . ?
C18 C19 1.374(7) . ?
C19 H19 0.9500 . ?
C19 C20 1.407(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.371(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.368(6) . ?
C23 H23 0.9500 . ?
C23 C24 1.382(7) . ?
C24 H24 0.9500 . ?
C24 C25 1.373(5) . ?
C25 H25 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
O1 Ru1 O2 92.12(9) . . ?
O1 Ru1 N3 89.41(10) . . ?
O1 Ru1 N4 86.04(10) . . ?
O2 Ru1 N3 89.22(10) . . ?
O2 Ru1 N4 85.82(10) . . ?
N1 Ru1 O1 91.75(10) . . ?
N1 Ru1 O2 176.13(10) . . ?
N1 Ru1 N3 90.66(10) . . ?
N1 Ru1 N4 94.62(10) . . ?
N2 Ru1 O1 174.54(10) . . ?
N2 Ru1 O2 92.78(11) . . ?
N2 Ru1 N1 83.35(12) . . ?
N2 Ru1 N3 88.24(11) . . ?
N2 Ru1 N4 96.73(11) . . ?
N4 Ru1 N3 173.13(10) . . ?
F1 P1 F1 179.3(2) 2 . ?
F1 P1 F4 89.67(11) 2 . ?
F1 P1 F4 89.67(11) . . ?
F2 P1 F1 90.68(14) 2 2 ?
F2 P1 F1 89.27(14) . 2 ?
F2 P1 F1 90.68(14) . . ?
F2 P1 F1 89.27(14) 2 . ?
F2 P1 F2 171.6(4) . 2 ?
F2 P1 F4 85.8(2) 2 . ?
F2 P1 F4 85.8(2) . . ?
F3 P1 F1 90.33(11) . 2 ?
F3 P1 F1 90.33(11) . . ?
F3 P1 F2 94.2(2) . 2 ?
F3 P1 F2 94.2(2) . . ?
F3 P1 F4 180.0 . . ?
F5 P2 F5 180.000(1) 7_566 . ?
F6 P2 F5 90.1(3) 7_566 . ?
F6 P2 F5 89.9(3) . . ?
F6 P2 F5 90.1(3) . 7_566 ?
F6 P2 F5 89.9(3) 7_566 7_566 ?
F6 P2 F6 180.00(18) 7_566 . ?
F6 P2 F7 88.6(3) . 7_566 ?
F6 P2 F7 91.4(3) 7_566 7_566 ?
F6 P2 F7 91.4(3) . . ?
F6 P2 F7 88.6(3) 7_566 . ?
F7 P2 F5 93.7(3) . 7_566 ?
F7 P2 F5 86.3(3) 7_566 7_566 ?
F7 P2 F5 93.7(3) 7_566 . ?
F7 P2 F5 86.3(3) . . ?
F7 P2 F7 180.000(1) . 7_566 ?
C1 O1 Ru1 123.69(19) . . ?
C20 O2 Ru1 124.3(2) . . ?
C7 N1 Ru1 125.8(2) . . ?
C7 N1 C8 122.6(3) . . ?
C8 N1 Ru1 111.3(2) . . ?
C13 N2 Ru1 113.4(2) . . ?
C14 N2 Ru1 125.4(2) . . ?
C14 N2 C13 121.2(3) . . ?
Ru1 N3 H3A 109.5 . . ?
Ru1 N3 H3B 109.5 . . ?
Ru1 N3 H3C 109.5 . . ?
H3A N3 H3B 109.5 . . ?
H3A N3 H3C 109.5 . . ?
H3B N3 H3C 109.5 . . ?
C21 N4 Ru1 126.0(2) . . ?
C21 N4 C25 118.2(3) . . ?
C25 N4 Ru1 115.9(2) . . ?
O1 C1 C2 117.5(3) . . ?
O1 C1 C6 124.3(3) . . ?
C2 C1 C6 118.2(3) . . ?
C1 C2 H2 119.5 . . ?
C3 C2 C1 121.0(4) . . ?
C3 C2 H2 119.5 . . ?
C2 C3 H3 119.5 . . ?
C2 C3 C4 121.0(4) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 H4 120.5 . . ?
C5 C4 C3 119.0(4) . . ?
C5 C4 H4 120.5 . . ?
C4 C5 H5 119.1 . . ?
C4 C5 C6 121.9(4) . . ?
C6 C5 H5 119.1 . . ?
C1 C6 C7 124.7(3) . . ?
C5 C6 C1 118.8(3) . . ?
C5 C6 C7 116.5(3) . . ?
N1 C7 C6 125.6(3) . . ?
N1 C7 H7 117.2 . . ?
C6 C7 H7 117.2 . . ?
N1 C8 H8 106.9 . . ?
N1 C8 C9 116.0(3) . . ?
N1 C8 C13 107.8(3) . . ?
C9 C8 H8 106.9 . . ?
C9 C8 C13 111.9(3) . . ?
C13 C8 H8 106.9 . . ?
C8 C9 H9A 110.2 . . ?
C8 C9 H9B 110.2 . . ?
C8 C9 C10 107.7(3) . . ?
H9A C9 H9B 108.5 . . ?
C10 C9 H9A 110.2 . . ?
C10 C9 H9B 110.2 . . ?
C9 C10 H10A 109.1 . . ?
C9 C10 H10B 109.1 . . ?
H10A C10 H10B 107.8 . . ?
C11 C10 C9 112.7(4) . . ?
C11 C10 H10A 109.1 . . ?
C11 C10 H10B 109.1 . . ?
C10 C11 H11A 109.2 . . ?
C10 C11 H11B 109.2 . . ?
C10 C11 C12 112.2(4) . . ?
H11A C11 H11B 107.9 . . ?
C12 C11 H11A 109.2 . . ?
C12 C11 H11B 109.2 . . ?
C11 C12 H12A 109.9 . . ?
C11 C12 H12B 109.9 . . ?
C11 C12 C13 108.8(4) . . ?
H12A C12 H12B 108.3 . . ?
C13 C12 H12A 109.9 . . ?
C13 C12 H12B 109.9 . . ?
N2 C13 C8 107.5(3) . . ?
N2 C13 C12 116.4(3) . . ?
N2 C13 H13 107.1 . . ?
C8 C13 C12 111.2(3) . . ?
C8 C13 H13 107.1 . . ?
C12 C13 H13 107.1 . . ?
N2 C14 H14 117.0 . . ?
N2 C14 C15 126.0(4) . . ?
C15 C14 H14 117.0 . . ?
C16 C15 C14 116.2(4) . . ?
C16 C15 C20 118.4(4) . . ?
C20 C15 C14 125.3(4) . . ?
C15 C16 H16 118.9 . . ?
C17 C16 C15 122.2(5) . . ?
C17 C16 H16 118.9 . . ?
C16 C17 H17 120.3 . . ?
C16 C17 C18 119.5(5) . . ?
C18 C17 H17 120.3 . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120.3(5) . . ?
C19 C18 H18 119.9 . . ?
C18 C19 H19 119.3 . . ?
C18 C19 C20 121.4(4) . . ?
C20 C19 H19 119.3 . . ?
O2 C20 C15 125.0(3) . . ?
O2 C20 C19 116.7(3) . . ?
C19 C20 C15 118.3(4) . . ?
N4 C21 H21 118.6 . . ?
N4 C21 C22 122.7(3) . . ?
C22 C21 H21 118.6 . . ?
C21 C22 H22 120.3 . . ?
C23 C22 C21 119.3(4) . . ?
C23 C22 H22 120.3 . . ?
C22 C23 H23 120.6 . . ?
C22 C23 C24 118.9(4) . . ?
C24 C23 H23 120.6 . . ?
C23 C24 H24 120.5 . . ?
C25 C24 C23 118.9(4) . . ?
C25 C24 H24 120.5 . . ?
N4 C25 C24 122.0(4) . . ?
N4 C25 H25 119.0 . . ?
C24 C25 H25 119.0 . . ?

