#------------------------------------------------------------------------------
#$Date: 2017-01-14 12:49:08 +0200 (Sat, 14 Jan 2017) $
#$Revision: 190514 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/94/7119447.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7119447
loop_
_publ_author_name
Yanay
Popowski
Israel
Goldberg
Moshe
Kol
_publ_section_title
;
 The stereoselectivity of bipyrrolidine-based sequential polydentate
 ligands around Ru(II)
;
_journal_name_full               Chem.Commun.
_journal_page_first              7932
_journal_volume                  52
_journal_year                    2016
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C30 H32 N6 Ru, 2(F6 P)'
_chemical_formula_sum            'C30 H32 F12 N6 P2 Ru'
_chemical_formula_weight         867.62
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_Hall           'C 2y'
_space_group_name_H-M_alt        'C 1 2 1'
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_audit_update_record
;
2016-03-21 deposited with the CCDC.
2016-05-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 131.012(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.132(2)
_cell_length_b                   9.8199(7)
_cell_length_c                   17.2577(16)
_cell_measurement_reflns_used    7019
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      28.33
_cell_measurement_theta_min      1.56
_cell_volume                     3213.8(5)
_computing_cell_refinement       'Saint, Bruker-AXS'
_computing_data_collection       'Apex2, Bruker-AXS'
_computing_data_reduction        'Saint, Bruker-AXS'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL-2014, (Sheldrick, 2008)'
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean 1.75
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'ApexDuo, Bruker-AXS'
_diffrn_measurement_method       '0,5 deg. φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_unetI/netI     0.0350
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            27997
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.337
_diffrn_reflns_theta_min         1.564
_diffrn_source                   'ImuS micro focus'
_exptl_absorpt_coefficient_mu    0.692
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_correction_T_min  0.851
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs, Bruker-AXS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.793
_exptl_crystal_description       plate
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.417
_refine_diff_density_min         -0.768
_refine_diff_density_rms         0.164
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.07(7)
_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     456
_refine_ls_number_reflns         7832
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.045
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0832P)²+2.8821P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1538
_refine_ls_wR_factor_ref         0.1600
_reflns_Friedel_coverage         0.860
_reflns_Friedel_fraction_full    0.985
_reflns_Friedel_fraction_max     0.960
_reflns_number_gt                7019
_reflns_number_total             7832
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6cc02676a2.cif
_cod_data_source_block           mk317
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_secondary' value 'diffmap' was changed to
'difmap'.

Automatic conversion script
Id: cif_fix_values 4624 2016-04-14 12:54:50Z antanas 
;
_cod_database_code               7119447
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.851
_shelx_estimated_absorpt_t_max   0.922
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.5000 0.28852(8) 1.0000 0.0209(3) Uani 1 2 d S T P . .
Ru2 Ru 0.5000 0.69854(8) 0.5000 0.0177(2) Uani 1 2 d S T P . .
P1 P 0.35352(19) 0.7406(4) 0.6975(3) 0.0437(9) Uani 1 1 d . . . . .
P2 P 0.14601(18) 0.7658(5) 0.7994(3) 0.0415(8) Uani 1 1 d . . . . .
F1 F 0.2826(4) 0.6866(10) 0.6678(7) 0.064(2) Uani 1 1 d . . . . .
F2 F 0.4256(3) 0.7932(12) 0.7295(5) 0.0488(19) Uani 1 1 d . . . . .
F3 F 0.3507(4) 0.8684(10) 0.7512(7) 0.060(2) Uani 1 1 d . . . . .
F4 F 0.3103(4) 0.8395(10) 0.5955(5) 0.066(2) Uani 1 1 d . . . . .
F5A F 0.3928(7) 0.6442(15) 0.7820(11) 0.047(3) Uiso 0.5 1 d . . P . .
F5B F 0.4024(6) 0.6842(17) 0.8206(9) 0.031(3) Uiso 0.5 1 d . . P . .
F6A F 0.3509(10) 0.6434(19) 0.6206(14) 0.071(4) Uiso 0.5 1 d . . P . .
F6B F 0.3651(9) 0.576(2) 0.6805(14) 0.063(5) Uiso 0.5 1 d . . P . .
F7A F 0.0766(12) 0.666(2) 0.7715(17) 0.075(6) Uiso 0.5 1 d . . P . .
F7B F 0.0762(8) 0.7463(13) 0.7817(11) 0.034(3) Uiso 0.5 1 d . . P . .
F8 F 0.2161(4) 0.8068(11) 0.8221(6) 0.054(2) Uani 1 1 d . . . . .
F9A F 0.1342(6) 0.9335(12) 0.8080(8) 0.027(2) Uiso 0.5 1 d . . P . .
F9B F 0.1320(16) 0.868(4) 0.837(2) 0.129(9) Uiso 0.5 1 d . . P . .
F10A F 0.1911(6) 0.7354(12) 0.9144(8) 0.024(2) Uiso 0.5 1 d . . P . .
F10B F 0.1890(12) 0.793(3) 0.9214(17) 0.084(6) Uiso 0.5 1 d . . P . .
F11 F 0.0998(4) 0.7989(11) 0.6804(6) 0.053(2) Uani 1 1 d . . . . .
F12 F 0.1571(5) 0.6138(9) 0.7787(9) 0.088(4) Uani 1 1 d . . . . .
N1 N 0.4422(4) 0.5599(10) 0.5077(6) 0.023(2) Uani 1 1 d . . . . .
N2 N 0.4393(5) 0.4290(9) 1.0016(7) 0.0234(19) Uani 1 1 d . . . . .
N3 N 0.5309(5) 0.1252(11) 0.9556(6) 0.030(2) Uani 1 1 d . . . . .
N4 N 0.4125(4) 0.2864(12) 0.8540(5) 0.0237(18) Uani 1 1 d . . . . .
N5 N 0.4099(3) 0.6956(11) 0.3548(5) 0.0170(14) Uani 1 1 d . . . . .
N6 N 0.5213(4) 0.8576(9) 0.4420(6) 0.0195(16) Uani 1 1 d . . . . .
C1 C 0.6009(5) 0.1129(14) 0.9826(8) 0.029(2) Uani 1 1 d . . . . .
H1A H 0.6397 0.1409 1.0546 0.035 Uiso 1 1 calc R U . . .
H1B H 0.6023 0.1696 0.9366 0.035 Uiso 1 1 calc R U . . .
C2 C 0.4571(6) 0.4981(12) 1.0841(8) 0.029(2) Uani 1 1 d . . . . .
H2 H 0.5040 0.4922 1.1480 0.035 Uiso 1 1 calc R U . . .
C3 C 0.3394(5) 0.7808(15) 0.1856(7) 0.027(2) Uani 1 1 d . . . . .
H3 H 0.3330 0.8374 0.1354 0.033 Uiso 1 1 calc R U . . .
C4 C 0.5966(8) 1.0327(17) 0.4585(11) 0.049(4) Uani 1 1 d . . . . .
H4A H 0.5818 1.0380 0.3894 0.059 Uiso 1 1 calc R U . . .
H4B H 0.6446 1.0715 0.5093 0.059 Uiso 1 1 calc R U . . .
C5 C 0.4032(5) 0.7761(15) 0.2834(7) 0.026(2) Uani 1 1 d . . . . .
C6 C 0.5432(6) 1.1097(12) 0.4611(10) 0.034(3) Uani 1 1 d . . . . .
H6A H 0.5132 1.1724 0.4019 0.041 Uiso 1 1 calc R U . . .
H6B H 0.5683 1.1625 0.5255 0.041 Uiso 1 1 calc R U . . .
C7 C 0.3737(5) 0.5422(12) 0.4188(7) 0.022(2) Uani 1 1 d . . . . .
C8 C 0.3409(6) 0.5931(12) 0.9852(9) 0.037(3) Uani 1 1 d . . . . .
H8 H 0.3080 0.6484 0.9807 0.045 Uiso 1 1 calc R U . . .
C9 C 0.2839(5) 0.7018(17) 0.1603(8) 0.038(3) Uani 1 1 d . . . . .
H9 H 0.2405 0.7011 0.0913 0.046 Uiso 1 1 calc R U . . .
C10 C 0.3568(5) 0.3651(12) 0.8232(7) 0.026(2) Uani 1 1 d . . . . .
C11 C 0.4740(5) 0.8286(11) 0.3267(7) 0.027(2) Uani 1 1 d . . . . .
H11A H 0.4678 0.9133 0.2905 0.032 Uiso 1 1 calc R U . . .
H11B H 0.4971 0.7606 0.3151 0.032 Uiso 1 1 calc R U . . .
C12 C 0.4095(7) 0.5750(13) 1.0770(10) 0.037(3) Uani 1 1 d . . . . .
H12 H 0.4235 0.6183 1.1371 0.044 Uiso 1 1 calc R U . . .
C13 C 0.2904(5) 0.6259(14) 0.2316(8) 0.032(2) Uani 1 1 d . . . . .
H13 H 0.2516 0.5751 0.2140 0.038 Uiso 1 1 calc R U . . .
C14 C 0.3230(5) 0.5244(12) 0.8988(8) 0.029(2) Uani 1 1 d . . . . .
H14 H 0.2772 0.5351 0.8337 0.034 Uiso 1 1 calc R U . . .
C15 C 0.2940(5) 0.3573(13) 0.7235(7) 0.029(2) Uani 1 1 d . . . . .
H15 H 0.2552 0.4130 0.7008 0.034 Uiso 1 1 calc R U . . .
C16 C 0.4080(5) 0.1996(14) 0.7926(6) 0.026(2) Uani 1 1 d . . . . .
C17 C 0.3559(4) 0.6242(11) 0.3321(7) 0.021(2) Uani 1 1 d . . . . .
C18 C 0.3273(5) 0.4621(15) 0.4155(8) 0.033(3) Uani 1 1 d . . . . .
H18 H 0.2799 0.4525 0.3532 0.039 Uiso 1 1 calc R U . . .
C19 C 0.4753(5) 0.1198(11) 0.8385(7) 0.025(2) Uani 1 1 d . . . . .
H19A H 0.4627 0.0235 0.8168 0.030 Uiso 1 1 calc R U . . .
H19B H 0.4961 0.1565 0.8101 0.030 Uiso 1 1 calc R U . . .
C20 C 0.2883(6) 0.2658(12) 0.6562(7) 0.030(2) Uani 1 1 d . . . . .
H20 H 0.2454 0.2592 0.5871 0.036 Uiso 1 1 calc R U . . .
C21 C 0.4181(6) 0.4078(13) 0.5917(8) 0.031(2) Uani 1 1 d . . . . .
H21 H 0.4345 0.3615 0.6523 0.037 Uiso 1 1 calc R U . . .
C22 C 0.4972(5) 0.9907(9) 0.4550(7) 0.0277(17) Uani 1 1 d . . . . .
H22 H 0.4467 1.0057 0.3924 0.033 Uiso 1 1 calc R U . . .
C23 C 0.3724(5) 0.4403(11) 0.9081(8) 0.025(2) Uani 1 1 d . . . . .
C24 C 0.5335(4) -0.0008(9) 1.0082(6) 0.0247(17) Uani 1 1 d . . . . .
H24 H 0.5731 0.0136 1.0834 0.030 Uiso 1 1 calc R U . . .
C25 C 0.4629(5) 0.4908(13) 0.5904(8) 0.029(2) Uani 1 1 d . . . . .
H25 H 0.5108 0.4984 0.6518 0.034 Uiso 1 1 calc R U . . .
C26 C 0.3501(6) 0.3963(13) 0.5026(9) 0.034(3) Uani 1 1 d . . . . .
H26 H 0.3179 0.3420 0.5008 0.041 Uiso 1 1 calc R U . . .
C27 C 0.3453(5) 0.1845(16) 0.6900(7) 0.030(2) Uani 1 1 d . . . . .
H27 H 0.3419 0.1211 0.6455 0.036 Uiso 1 1 calc R U . . .
C28 C 0.5946(5) 0.8852(12) 0.4858(7) 0.023(2) Uani 1 1 d . . . . .
H28A H 0.6079 0.8217 0.4563 0.028 Uiso 1 1 calc R U . . .
H28B H 0.6281 0.8731 0.5613 0.028 Uiso 1 1 calc R U . . .
C29 C 0.5561(6) -0.1101(14) 0.9781(9) 0.034(3) Uani 1 1 d . . . . .
H29A H 0.5154 -0.1512 0.9120 0.040 Uiso 1 1 calc R U . . .
H29B H 0.5814 -0.1822 1.0312 0.040 Uiso 1 1 calc R U . . .
C30 C 0.6063(7) -0.0375(13) 0.9678(9) 0.033(2) Uani 1 1 d . . . . .
H30A H 0.6553 -0.0702 1.0209 0.040 Uiso 1 1 calc R U . . .
H30B H 0.5910 -0.0541 0.8992 0.040 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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
N4 Ru1 N4 178.8(7) 2_657 .
N4 Ru1 N2 101.7(4) 2_657 .
N4 Ru1 N2 79.1(4) . .
N4 Ru1 N2 79.1(4) 2_657 2_657
N4 Ru1 N2 101.7(4) . 2_657
N2 Ru1 N2 96.4(5) . 2_657
N4 Ru1 N3 84.1(4) 2_657 2_657
N4 Ru1 N3 95.0(4) . 2_657
N2 Ru1 N3 93.0(4) . 2_657
N2 Ru1 N3 162.1(3) 2_657 2_657
N4 Ru1 N3 95.0(4) 2_657 .
N4 Ru1 N3 84.1(4) . .
N2 Ru1 N3 162.1(3) . .
N2 Ru1 N3 93.0(4) 2_657 .
N3 Ru1 N3 82.4(6) 2_657 .
N5 Ru2 N5 178.3(6) . 2_656
N5 Ru2 N1 78.7(3) . .
N5 Ru2 N1 100.2(3) 2_656 .
N5 Ru2 N1 100.2(3) . 2_656
N5 Ru2 N1 78.7(3) 2_656 2_656
N1 Ru2 N1 97.2(6) . 2_656
N5 Ru2 N6 100.1(3) . 2_656
N5 Ru2 N6 81.2(3) 2_656 2_656
N1 Ru2 N6 92.9(3) . 2_656
N1 Ru2 N6 158.8(3) 2_656 2_656
N5 Ru2 N6 81.2(3) . .
N5 Ru2 N6 100.1(3) 2_656 .
N1 Ru2 N6 158.8(3) . .
N1 Ru2 N6 92.9(3) 2_656 .
N6 Ru2 N6 84.2(4) 2_656 .
C25 N1 C7 117.0(9) . .
C25 N1 Ru2 127.3(7) . .
C7 N1 Ru2 115.6(7) . .
C2 N2 C23 119.9(10) . .
C2 N2 Ru1 127.3(7) . .
C23 N2 Ru1 112.5(7) . .
C1 N3 C24 99.6(8) . .
C1 N3 C19 106.0(8) . .
C24 N3 C19 114.1(8) . .
C1 N3 Ru1 125.3(8) . .
C24 N3 Ru1 106.5(6) . .
C19 N3 Ru1 105.6(6) . .
C16 N4 C10 122.2(8) . .
C16 N4 Ru1 118.2(7) . .
C10 N4 Ru1 119.3(7) . .
C17 N5 C5 122.2(7) . .
C17 N5 Ru2 118.3(6) . .
C5 N5 Ru2 119.2(7) . .
C28 N6 C22 104.4(8) . .
C28 N6 C11 109.9(7) . .
C22 N6 C11 107.9(7) . .
C28 N6 Ru2 120.7(6) . .
C22 N6 Ru2 108.6(5) . .
C11 N6 Ru2 104.8(6) . .
N3 C1 C30 104.0(10) . .
N3 C1 H1A 111.0 . .
C30 C1 H1A 111.0 . .
N3 C1 H1B 111.0 . .
C30 C1 H1B 111.0 . .
H1A C1 H1B 109.0 . .
C12 C2 N2 121.3(10) . .
C12 C2 H2 119.4 . .
N2 C2 H2 119.3 . .
C5 C3 C9 119.4(11) . .
C5 C3 H3 120.3 . .
C9 C3 H3 120.3 . .
C28 C4 C6 104.2(9) . .
C28 C4 H4A 110.9 . .
C6 C4 H4A 110.9 . .
C28 C4 H4B 110.9 . .
C6 C4 H4B 111.0 . .
H4A C4 H4B 108.9 . .
C3 C5 N5 118.6(10) . .
C3 C5 C11 130.7(10) . .
N5 C5 C11 110.0(8) . .
C4 C6 C22 104.0(9) . .
C4 C6 H6A 111.0 . .
C22 C6 H6A 111.0 . .
C4 C6 H6B 110.9 . .
C22 C6 H6B 111.0 . .
H6A C6 H6B 109.0 . .
N1 C7 C18 121.8(9) . .
N1 C7 C17 112.7(9) . .
C18 C7 C17 125.5(9) . .
C12 C8 C14 116.1(11) . .
C12 C8 H8 122.0 . .
C14 C8 H8 121.9 . .
C13 C9 C3 121.5(10) . .
C13 C9 H9 119.3 . .
C3 C9 H9 119.2 . .
N4 C10 C15 119.9(10) . .
N4 C10 C23 111.5(8) . .
C15 C10 C23 128.3(10) . .
C5 C11 N6 111.6(8) . .
C5 C11 H11A 109.3 . .
N6 C11 H11A 109.3 . .
C5 C11 H11B 109.3 . .
N6 C11 H11B 109.3 . .
H11A C11 H11B 107.9 . .
C2 C12 C8 122.5(12) . .
C2 C12 H12 118.8 . .
C8 C12 H12 118.7 . .
C9 C13 C17 118.3(10) . .
C9 C13 H13 120.8 . .
C17 C13 H13 120.8 . .
C23 C14 C8 120.8(10) . .
C23 C14 H14 119.6 . .
C8 C14 H14 119.6 . .
C10 C15 C20 118.7(10) . .
C10 C15 H15 120.6 . .
C20 C15 H15 120.6 . .
N4 C16 C27 121.2(11) . .
N4 C16 C19 115.9(8) . .
C27 C16 C19 122.8(11) . .
N5 C17 C13 119.8(9) . .
N5 C17 C7 114.3(7) . .
C13 C17 C7 125.9(10) . .
C26 C18 C7 119.5(10) . .
C26 C18 H18 120.3 . .
C7 C18 H18 120.2 . .
N3 C19 C16 114.0(8) . .
N3 C19 H19A 108.7 . .
C16 C19 H19A 108.7 . .
N3 C19 H19B 108.8 . .
C16 C19 H19B 108.8 . .
H19A C19 H19B 107.7 . .
C27 C20 C15 120.3(9) . .
C27 C20 H20 119.9 . .
C15 C20 H20 119.8 . .
C26 C21 C25 117.2(10) . .
C26 C21 H21 121.4 . .
C25 C21 H21 121.4 . .
C22 C22 N6 112.8(6) 2_656 .
C22 C22 C6 111.6(8) 2_656 .
N6 C22 C6 107.4(7) . .
C22 C22 H22 108.3 2_656 .
N6 C22 H22 108.3 . .
C6 C22 H22 108.3 . .
N2 C23 C14 119.2(10) . .
N2 C23 C10 117.3(9) . .
C14 C23 C10 123.4(9) . .
C29 C24 N3 105.2(8) . .
C29 C24 C24 125.3(7) . 2_657
N3 C24 C24 106.4(6) . 2_657
C29 C24 H24 106.2 . .
N3 C24 H24 106.2 . .
C24 C24 H24 106.2 2_657 .
N1 C25 C21 123.8(9) . .
N1 C25 H25 118.1 . .
C21 C25 H25 118.1 . .
C21 C26 C18 120.8(11) . .
C21 C26 H26 119.6 . .
C18 C26 H26 119.6 . .
C20 C27 C16 117.6(12) . .
C20 C27 H27 121.2 . .
C16 C27 H27 121.2 . .
N6 C28 C4 107.2(10) . .
N6 C28 H28A 110.3 . .
C4 C28 H28A 110.3 . .
N6 C28 H28B 110.3 . .
C4 C28 H28B 110.3 . .
H28A C28 H28B 108.5 . .
C24 C29 C30 103.7(10) . .
C24 C29 H29A 111.0 . .
C30 C29 H29A 111.0 . .
C24 C29 H29B 111.0 . .
C30 C29 H29B 111.1 . .
H29A C29 H29B 109.0 . .
C1 C30 C29 105.0(10) . .
C1 C30 H30A 110.8 . .
C29 C30 H30A 110.7 . .
C1 C30 H30B 110.8 . .
C29 C30 H30B 110.8 . .
H30A C30 H30B 108.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N4 1.978(7) 2_657
Ru1 N4 1.978(7) .
Ru1 N2 2.070(10) .
Ru1 N2 2.070(10) 2_657
Ru1 N3 2.131(10) 2_657
Ru1 N3 2.131(10) .
Ru2 N5 1.989(6) .
Ru2 N5 1.989(6) 2_656
Ru2 N1 2.058(9) .
Ru2 N1 2.059(9) 2_656
Ru2 N6 2.105(9) 2_656
Ru2 N6 2.105(9) .
P1 F5A 1.452(14) .
P1 F3 1.588(9) .
P1 F1 1.588(8) .
P1 F2 1.594(7) .
P1 F6A 1.601(18) .
P1 F4 1.647(8) .
P1 F5B 1.704(13) .
P1 F6B 1.70(2) .
P2 F9B 1.36(3) .
P2 F10A 1.536(11) .
P2 F8 1.586(8) .
P2 F7B 1.583(15) .
P2 F11 1.595(8) .
P2 F12 1.601(10) .
P2 F10B 1.64(2) .
P2 F9A 1.697(12) .
P2 F7A 1.77(2) .
N1 C25 1.339(14) .
N1 C7 1.371(12) .
N2 C2 1.361(14) .
N2 C23 1.372(13) .
N3 C1 1.500(13) .
N3 C24 1.509(14) .
N3 C19 1.527(12) .
N4 C16 1.306(16) .
N4 C10 1.363(13) .
N5 C17 1.339(13) .
N5 C5 1.379(14) .
N6 C28 1.487(12) .
N6 C22 1.517(11) .
N6 C11 1.532(12) .
C1 C30 1.519(18) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 C12 1.351(17) .
C2 H2 0.9500 .
C3 C5 1.367(13) .
C3 C9 1.392(17) .
C3 H3 0.9500 .
C4 C28 1.534(19) .
C4 C6 1.568(19) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C11 1.497(13) .
C6 C22 1.597(13) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C18 1.375(15) .
C7 C17 1.486(13) .
C8 C12 1.389(17) .
C8 C14 1.414(16) .
C8 H8 0.9500 .
C9 C13 1.354(17) .
C9 H9 0.9500 .
C10 C15 1.376(13) .
C10 C23 1.446(15) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 H12 0.9500 .
C13 C17 1.404(13) .
C13 H13 0.9500 .
C14 C23 1.410(15) .
C14 H14 0.9500 .
C15 C20 1.400(16) .
C15 H15 0.9500 .
C16 C27 1.407(13) .
C16 C19 1.531(14) .
C18 C26 1.370(16) .
C18 H18 0.9500 .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C27 1.388(16) .
C20 H20 0.9500 .
C21 C26 1.360(16) .
C21 C25 1.404(16) .
C21 H21 0.9500 .
C22 C22 1.466(17) 2_656
C22 H22 1.0000 .
C24 C29 1.461(16) .
C24 C24 1.515(15) 2_657
C24 H24 1.0000 .
C25 H25 0.9500 .
C26 H26 0.9500 .
C27 H27 0.9500 .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.556(17) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
