#------------------------------------------------------------------------------
#$Date: 2019-11-23 08:53:25 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232602 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/45/7124548.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_7124548
loop_
_publ_author_name
'Pal, Amlan K.'
'Zaccheroni, Nelsi'
'Campagna, Sebastiano'
'Hanan, Garry S.'
_publ_section_title
;
 Near infra-red emission from a mer-Ru(II) complex: consequences of strong
 σ-donation from a neutral, flexible ligand with dual binding modes.
;
_journal_issue                   52
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6846
_journal_page_last               6849
_journal_paper_doi               10.1039/c3cc49880h
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C40 H42 F12 N10 P2 Ru, 6(C3 H6 O)'
_chemical_formula_sum            'C58 H78 F12 N10 O6 P2 Ru'
_chemical_formula_weight         1402.31
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 116.1840(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   40.9186(5)
_cell_length_b                   12.9990(2)
_cell_length_c                   19.2466(2)
_cell_measurement_reflns_used    9516
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      70.71
_cell_measurement_theta_min      2.41
_cell_volume                     9186.8(2)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_unetI/netI     0.0089
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       50
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            177747
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         71.231
_diffrn_reflns_theta_min         2.406
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.533
_exptl_absorpt_correction_T_max  0.5430
_exptl_absorpt_correction_T_min  0.4427
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SHELXL-97 (Sheldrick, 2008)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    2.028
_exptl_crystal_density_meas      2.028
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5808
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.150
_platon_squeeze_details
;
;
_refine_diff_density_max         1.914
_refine_diff_density_min         -0.777
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     606
_refine_ls_number_reflns         8880
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0468
_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)+(0.0770P)²+35.8710P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1295
_refine_ls_wR_factor_ref         0.1299
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8737
_reflns_number_total             8880
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c3cc49880h2.cif
_cod_data_source_block           Amln79
_cod_original_cell_volume        9186.7(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7124548
_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   0.449
_shelx_estimated_absorpt_t_max   0.550
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Ru1 Ru 0.11626(2) 0.15344(2) 0.44138(2) 0.02499(9) Uani 1 1 d . . .
P1 P 0.20747(3) 0.62910(10) 0.31377(6) 0.0538(3) Uani 1 1 d . . .
P2 P 0.0000 1.0000 0.0000 0.0304(2) Uani 1 2 d S . P
P3 P 0.0000 0.57260(10) 0.2500 0.0616(5) Uani 1 2 d S T P
F1A F 0.18784(11) 0.5275(4) 0.2816(2) 0.0822(9) Uani 0.8015 1 d . . P
F1B F 0.2056(4) 0.4855(15) 0.3247(9) 0.0822(9) Uani 0.1985 1 d . . P
F2A F 0.19504(12) 0.6825(4) 0.2308(3) 0.0822(9) Uani 0.6877 1 d . . P
F2B F 0.1913(3) 0.6003(10) 0.2258(6) 0.0822(9) Uani 0.3123 1 d . . P
F3 F 0.24468(8) 0.5944(3) 0.3172(2) 0.0968(12) Uani 1 1 d . . .
F4 F 0.22769(11) 0.7354(2) 0.35102(19) 0.0890(10) Uani 1 1 d . . .
F5 F 0.21973(8) 0.5939(3) 0.40231(18) 0.0856(10) Uani 1 1 d . . .
F6A F 0.17228(12) 0.6753(5) 0.3167(2) 0.0795(14) Uani 0.7748 1 d . . P
F6B F 0.1634(3) 0.6053(13) 0.3002(7) 0.064(4) Uani 0.2252 1 d . . P
F7 F 0.00821(7) 0.89425(16) 0.04665(13) 0.0572(6) Uani 1 1 d . . .
F8 F 0.04248(6) 1.0278(2) 0.04294(12) 0.0543(6) Uani 1 1 d . . .
F9 F -0.00571(7) 1.05388(19) 0.06813(12) 0.0538(6) Uani 1 1 d . . .
F10A F 0.0354(2) 0.6511(4) 0.2898(3) 0.122(3) Uani 0.7648 1 d . . P
F10B F 0.0094(7) 0.6750(13) 0.2844(16) 0.193(18) Uani 0.2352 1 d . . P
F11 F 0.00612(10) 0.5720(2) 0.17384(14) 0.0865(11) Uani 1 1 d . . .
F12 F 0.02987(8) 0.4870(2) 0.28682(16) 0.0716(7) Uani 1 1 d . . .
N1 N 0.08332(7) 0.04046(19) 0.36882(14) 0.0265(5) Uani 1 1 d . . .
N2 N 0.10893(6) 0.20894(19) 0.34163(14) 0.0262(5) Uani 1 1 d . . .
N3 N 0.14667(7) 0.28779(19) 0.47598(14) 0.0284(5) Uani 1 1 d . . .
N4 N 0.07137(7) 0.22770(19) 0.44083(14) 0.0271(5) Uani 1 1 d . . .
N5 N 0.04754(8) 0.3344(2) 0.50569(16) 0.0337(6) Uani 1 1 d . . .
N6 N 0.10137(7) 0.2425(2) 0.57591(14) 0.0321(6) Uani 1 1 d . . .
N7 N 0.12450(7) 0.0903(2) 0.54670(14) 0.0294(5) Uani 1 1 d . . .
N8 N 0.14585(8) -0.0625(2) 0.51222(16) 0.0343(6) Uani 1 1 d . . .
N9 N 0.18790(8) -0.0930(2) 0.46274(18) 0.0407(6) Uani 1 1 d . . .
N10 N 0.16230(7) 0.0709(2) 0.45305(16) 0.0325(6) Uani 1 1 d . . .
C1 C 0.07696(8) 0.0540(2) 0.29301(17) 0.0274(6) Uani 1 1 d . . .
C2 C 0.05768(9) -0.0183(3) 0.23643(18) 0.0326(6) Uani 1 1 d . . .
H2 H 0.0536 -0.0078 0.1844 0.039 Uiso 1 1 calc R U .
C3 C 0.04442(9) -0.1057(3) 0.25634(19) 0.0359(7) Uani 1 1 d . . .
H3 H 0.0322 -0.1574 0.2189 0.043 Uiso 1 1 calc R U .
C4 C 0.04931(9) -0.1164(3) 0.33185(19) 0.0358(7) Uani 1 1 d . . .
H4 H 0.0397 -0.1745 0.3464 0.043 Uiso 1 1 calc R U .
C5 C 0.06835(8) -0.0419(2) 0.38609(18) 0.0299(6) Uani 1 1 d . . .
H5 H 0.0710 -0.0493 0.4374 0.036 Uiso 1 1 calc R U .
C6 C 0.09069(8) 0.1516(2) 0.27715(18) 0.0271(6) Uani 1 1 d . . .
C7 C 0.08600(8) 0.1871(2) 0.20558(17) 0.0291(6) Uani 1 1 d . . .
H7 H 0.0736 0.1459 0.1607 0.035 Uiso 1 1 calc R U .
C8 C 0.09955(8) 0.2837(2) 0.19921(18) 0.0300(6) Uani 1 1 d . . .
C9 C 0.11821(9) 0.3410(2) 0.2669(2) 0.0314(7) Uani 1 1 d . . .
H9 H 0.1276 0.4070 0.2643 0.038 Uiso 1 1 calc R U .
C10 C 0.12305(8) 0.3017(2) 0.33786(18) 0.0292(6) Uani 1 1 d . . .
C11 C 0.14475(9) 0.3465(2) 0.41495(19) 0.0301(6) Uani 1 1 d . . .
C12 C 0.16425(9) 0.4381(2) 0.4269(2) 0.0347(7) Uani 1 1 d . . .
H12 H 0.1620 0.4789 0.3841 0.042 Uiso 1 1 calc R U .
C13 C 0.18682(9) 0.4688(3) 0.5014(2) 0.0392(7) Uani 1 1 d . . .
H13 H 0.2005 0.5305 0.5103 0.047 Uiso 1 1 calc R U .
C14 C 0.18935(9) 0.4091(3) 0.5631(2) 0.0385(7) Uani 1 1 d . . .
H14 H 0.2049 0.4290 0.6148 0.046 Uiso 1 1 calc R U .
C15 C 0.16884(9) 0.3198(3) 0.54816(19) 0.0345(7) Uani 1 1 d . . .
H15 H 0.1705 0.2794 0.5907 0.041 Uiso 1 1 calc R U .
C16 C 0.09416(9) 0.3230(2) 0.12254(19) 0.0327(7) Uani 1 1 d . . .
C17 C 0.06453(9) 0.2898(3) 0.05478(19) 0.0354(7) Uani 1 1 d . . .
H17 H 0.0479 0.2412 0.0581 0.042 Uiso 1 1 calc R U .
C18 C 0.05904(11) 0.3269(3) -0.0173(2) 0.0414(8) Uani 1 1 d . . .
H18 H 0.0387 0.3039 -0.0626 0.050 Uiso 1 1 calc R U .
C19 C 0.08297(12) 0.3971(3) -0.0235(2) 0.0454(9) Uani 1 1 d . . .
H19 H 0.0793 0.4224 -0.0727 0.054 Uiso 1 1 calc R U .
C20 C 0.11260(12) 0.4301(3) 0.0434(3) 0.0480(9) Uani 1 1 d . . .
H20 H 0.1291 0.4785 0.0397 0.058 Uiso 1 1 calc R U .
C21 C 0.11831(10) 0.3931(3) 0.1153(2) 0.0404(8) Uani 1 1 d . . .
H21 H 0.1389 0.4158 0.1603 0.048 Uiso 1 1 calc R U .
C22 C 0.11572(9) 0.1433(2) 0.59651(18) 0.0317(7) Uani 1 1 d . . .
C23 C 0.12217(10) 0.1026(3) 0.66857(19) 0.0402(8) Uani 1 1 d . . .
H23 H 0.1154 0.1397 0.7027 0.048 Uiso 1 1 calc R U .
C24 C 0.13848(11) 0.0078(3) 0.68931(19) 0.0448(9) Uani 1 1 d . . .
H24 H 0.1435 -0.0202 0.7386 0.054 Uiso 1 1 calc R U .
C25 C 0.14753(10) -0.0467(3) 0.6391(2) 0.0416(8) Uani 1 1 d . . .
H25 H 0.1590 -0.1120 0.6534 0.050 Uiso 1 1 calc R U .
C26 C 0.13960(9) -0.0048(3) 0.56715(18) 0.0336(7) Uani 1 1 d . . .
C27 C 0.14142(11) -0.1752(3) 0.5120(2) 0.0436(8) Uani 1 1 d . . .
H27A H 0.1263 -0.1995 0.4585 0.052 Uiso 1 1 calc R U .
H27B H 0.1289 -0.1940 0.5440 0.052 Uiso 1 1 calc R U .
C28 C 0.17810(12) -0.2253(3) 0.5437(3) 0.0532(10) Uani 1 1 d . . .
H28A H 0.1757 -0.3008 0.5468 0.064 Uiso 1 1 calc R U .
H28B H 0.1937 -0.1990 0.5963 0.064 Uiso 1 1 calc R U .
C29 C 0.19469(11) -0.2001(3) 0.4899(2) 0.0454(8) Uani 1 1 d . . .
H29A H 0.2213 -0.2122 0.5169 0.054 Uiso 1 1 calc R U .
H29B H 0.1844 -0.2468 0.4446 0.054 Uiso 1 1 calc R U .
C30 C 0.20611(12) -0.0609(3) 0.4155(3) 0.0510(9) Uani 1 1 d . . .
H30A H 0.1889 -0.0651 0.3598 0.061 Uiso 1 1 calc R U .
H30B H 0.2270 -0.1068 0.4254 0.061 Uiso 1 1 calc R U .
C31 C 0.21913(10) 0.0484(3) 0.4368(3) 0.0474(9) Uani 1 1 d . . .
H31A H 0.2307 0.0729 0.4042 0.057 Uiso 1 1 calc R U .
H31B H 0.2374 0.0517 0.4917 0.057 Uiso 1 1 calc R U .
C32 C 0.18690(9) 0.1157(3) 0.4244(2) 0.0379(7) Uani 1 1 d . . .
H32A H 0.1960 0.1824 0.4507 0.046 Uiso 1 1 calc R U .
H32B H 0.1729 0.1296 0.3683 0.046 Uiso 1 1 calc R U .
C33 C 0.16625(9) -0.0254(3) 0.47528(18) 0.0333(7) Uani 1 1 d . . .
C34 C 0.10743(11) 0.3162(3) 0.6386(2) 0.0406(8) Uani 1 1 d . . .
H34A H 0.1145 0.3839 0.6259 0.049 Uiso 1 1 calc R U .
H34B H 0.1275 0.2916 0.6875 0.049 Uiso 1 1 calc R U .
C35 C 0.07314(12) 0.3267(4) 0.6482(2) 0.0511(10) Uani 1 1 d . . .
H35A H 0.0774 0.3720 0.6928 0.061 Uiso 1 1 calc R U .
H35B H 0.0651 0.2586 0.6577 0.061 Uiso 1 1 calc R U .
C36 C 0.04469(12) 0.3728(4) 0.5745(2) 0.0506(9) Uani 1 1 d . . .
H36A H 0.0202 0.3563 0.5700 0.061 Uiso 1 1 calc R U .
H36B H 0.0474 0.4486 0.5768 0.061 Uiso 1 1 calc R U .
C37 C 0.02058(10) 0.3763(3) 0.43227(19) 0.0365(7) Uani 1 1 d . . .
H37A H 0.0317 0.4315 0.4144 0.044 Uiso 1 1 calc R U .
H37B H 0.0000 0.4063 0.4393 0.044 Uiso 1 1 calc R U .
C38 C 0.00698(9) 0.2910(3) 0.37281(19) 0.0336(7) Uani 1 1 d . . .
H38A H -0.0106 0.3188 0.3221 0.040 Uiso 1 1 calc R U .
H38B H -0.0055 0.2377 0.3891 0.040 Uiso 1 1 calc R U .
C39 C 0.03934(8) 0.2446(3) 0.36589(17) 0.0325(6) Uani 1 1 d . . .
H39A H 0.0319 0.1780 0.3385 0.039 Uiso 1 1 calc R U .
H39B H 0.0464 0.2907 0.3339 0.039 Uiso 1 1 calc R U .
C40 C 0.07219(9) 0.2667(2) 0.50405(17) 0.0299(6) Uani 1 1 d . . .
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'
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'
O O 0.0492 0.0322 '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
N2 Ru1 N1 79.98(10) . .
N2 Ru1 N4 94.11(10) . .
N1 Ru1 N4 90.87(10) . .
N2 Ru1 N7 178.33(10) . .
N1 Ru1 N7 98.96(10) . .
N4 Ru1 N7 87.18(10) . .
N2 Ru1 N3 79.30(10) . .
N1 Ru1 N3 159.28(10) . .
N4 Ru1 N3 90.81(10) . .
N7 Ru1 N3 101.75(10) . .
N2 Ru1 N10 92.04(10) . .
N1 Ru1 N10 89.78(10) . .
N4 Ru1 N10 173.83(10) . .
N7 Ru1 N10 86.66(11) . .
N3 Ru1 N10 90.74(10) . .
F1A P1 F3 95.5(2) . .
F1A P1 F2B 57.3(4) . .
F3 P1 F2B 85.1(4) . .
F1A P1 F6A 91.1(3) . .
F3 P1 F6A 173.2(2) . .
F2B P1 F6A 99.9(4) . .
F1A P1 F2A 95.2(2) . .
F3 P1 F2A 92.4(3) . .
F2B P1 F2A 39.7(4) . .
F6A P1 F2A 88.7(3) . .
F1A P1 F4 177.3(2) . .
F3 P1 F4 85.95(19) . .
F2B P1 F4 125.2(4) . .
F6A P1 F4 87.4(3) . .
F2A P1 F4 87.0(2) . .
F1A P1 F5 92.6(2) . .
F3 P1 F5 91.8(2) . .
F2B P1 F5 149.1(5) . .
F6A P1 F5 86.2(2) . .
F2A P1 F5 170.7(3) . .
F4 P1 F5 85.05(17) . .
F1A P1 F6B 57.2(6) . .
F3 P1 F6B 152.3(6) . .
F2B P1 F6B 83.1(6) . .
F6A P1 F6B 34.0(5) . .
F2A P1 F6B 94.3(4) . .
F4 P1 F6B 121.2(6) . .
F5 P1 F6B 85.8(4) . .
F1A P1 F1B 31.6(5) . .
F3 P1 F1B 78.2(5) . .
F2B P1 F1B 82.2(7) . .
F6A P1 F1B 106.8(6) . .
F2A P1 F1B 121.9(5) . .
F4 P1 F1B 147.2(5) . .
F5 P1 F1B 67.1(5) . .
F6B P1 F1B 75.4(7) . .
F9 P2 F9 180.0 . 5_575
F9 P2 F7 90.78(13) . 5_575
F9 P2 F7 89.22(13) 5_575 5_575
F9 P2 F7 89.22(13) . .
F9 P2 F7 90.78(13) 5_575 .
F7 P2 F7 180.00(16) 5_575 .
F9 P2 F8 90.23(12) . 5_575
F9 P2 F8 89.78(12) 5_575 5_575
F7 P2 F8 89.60(13) 5_575 5_575
F7 P2 F8 90.40(13) . 5_575
F9 P2 F8 89.77(12) . .
F9 P2 F8 90.22(12) 5_575 .
F7 P2 F8 90.40(13) 5_575 .
F7 P2 F8 89.60(13) . .
F8 P2 F8 180.00(9) 5_575 .
F10B P3 F10B 48.6(18) 2 .
F10B P3 F12 116.4(7) 2 2
F10B P3 F12 147.8(14) . 2
F10B P3 F12 147.8(14) 2 .
F10B P3 F12 116.4(7) . .
F12 P3 F12 89.8(2) 2 .
F10B P3 F11 107.8(16) 2 2
F10B P3 F11 72.8(16) . 2
F12 P3 F11 90.26(18) 2 2
F12 P3 F11 89.32(14) . 2
F10B P3 F11 72.8(16) 2 .
F10B P3 F11 107.8(16) . .
F12 P3 F11 89.32(14) 2 .
F12 P3 F11 90.26(18) . .
F11 P3 F11 179.4(2) 2 .
F10B P3 F10A 39.5(12) 2 2
F10B P3 F10A 69.5(9) . 2
F12 P3 F10A 83.1(3) 2 2
F12 P3 F10A 172.5(3) . 2
F11 P3 F10A 88.2(2) 2 2
F11 P3 F10A 92.2(2) . 2
F10B P3 F10A 69.5(9) 2 .
F10B P3 F10A 39.5(12) . .
F12 P3 F10A 172.5(3) 2 .
F12 P3 F10A 83.1(3) . .
F11 P3 F10A 92.2(2) 2 .
F11 P3 F10A 88.2(2) . .
F10A P3 F10A 104.0(6) 2 .
F1B F1A F2B 133.5(11) . .
F1B F1A P1 94.4(10) . .
F2B F1A P1 62.7(4) . .
F1B F1A F6B 118.0(12) . .
F2B F1A F6B 91.6(7) . .
P1 F1A F6B 68.0(7) . .
F1A F1B P1 54.0(10) . .
F2B F2A P1 68.2(6) . .
F2A F2B F1A 128.6(9) . .
F2A F2B P1 72.1(6) . .
F1A F2B P1 60.0(4) . .
F6B F6A P1 81.3(8) . .
F6A F6B F1A 119.3(12) . .
F6A F6B P1 64.7(9) . .
F1A F6B P1 54.8(4) . .
F10B F10A P3 60.2(10) . .
F10A F10B F10B 103(5) . 2
F10A F10B P3 80.3(15) . .
F10B F10B P3 65.7(9) 2 .
C5 N1 C1 118.0(3) . .
C5 N1 Ru1 129.1(2) . .
C1 N1 Ru1 112.81(19) . .
C10 N2 C6 121.1(3) . .
C10 N2 Ru1 120.0(2) . .
C6 N2 Ru1 118.8(2) . .
C15 N3 C11 117.9(3) . .
C15 N3 Ru1 128.8(2) . .
C11 N3 Ru1 113.1(2) . .
C40 N4 C39 120.0(3) . .
C40 N4 Ru1 121.2(2) . .
C39 N4 Ru1 118.54(18) . .
C40 N5 C37 118.3(3) . .
C40 N5 C36 126.9(3) . .
C37 N5 C36 114.8(3) . .
C22 N6 C40 123.5(3) . .
C22 N6 C34 118.0(3) . .
C40 N6 C34 115.0(3) . .
C22 N7 C26 119.2(3) . .
C22 N7 Ru1 120.8(2) . .
C26 N7 Ru1 120.0(2) . .
C33 N8 C26 122.9(3) . .
C33 N8 C27 116.1(3) . .
C26 N8 C27 118.0(3) . .
C33 N9 C30 118.8(3) . .
C33 N9 C29 126.3(3) . .
C30 N9 C29 114.9(3) . .
C33 N10 C32 119.8(3) . .
C33 N10 Ru1 120.0(2) . .
C32 N10 Ru1 119.4(2) . .
N1 C1 C2 121.3(3) . .
N1 C1 C6 114.8(3) . .
C2 C1 C6 123.8(3) . .
C3 C2 C1 119.6(3) . .
C3 C2 H2 120.2 . .
C1 C2 H2 120.2 . .
C4 C3 C2 118.7(3) . .
C4 C3 H3 120.6 . .
C2 C3 H3 120.6 . .
C3 C4 C5 119.6(3) . .
C3 C4 H4 120.2 . .
C5 C4 H4 120.2 . .
N1 C5 C4 122.4(3) . .
N1 C5 H5 118.8 . .
C4 C5 H5 118.8 . .
N2 C6 C7 120.4(3) . .
N2 C6 C1 113.0(3) . .
C7 C6 C1 126.6(3) . .
C6 C7 C8 120.0(3) . .
C6 C7 H7 120.0 . .
C8 C7 H7 120.0 . .
C9 C8 C7 118.0(3) . .
C9 C8 C16 121.6(3) . .
C7 C8 C16 120.3(3) . .
C10 C9 C8 120.2(3) . .
C10 C9 H9 119.9 . .
C8 C9 H9 119.9 . .
N2 C10 C9 120.1(3) . .
N2 C10 C11 112.4(3) . .
C9 C10 C11 127.4(3) . .
N3 C11 C12 121.4(3) . .
N3 C11 C10 115.0(3) . .
C12 C11 C10 123.4(3) . .
C13 C12 C11 119.4(3) . .
C13 C12 H12 120.3 . .
C11 C12 H12 120.3 . .
C12 C13 C14 119.5(3) . .
C12 C13 H13 120.3 . .
C14 C13 H13 120.3 . .
C13 C14 C15 118.9(3) . .
C13 C14 H14 120.6 . .
C15 C14 H14 120.6 . .
N3 C15 C14 122.9(3) . .
N3 C15 H15 118.6 . .
C14 C15 H15 118.6 . .
C21 C16 C17 118.0(3) . .
C21 C16 C8 121.5(3) . .
C17 C16 C8 120.5(3) . .
C18 C17 C16 120.9(3) . .
C18 C17 H17 119.5 . .
C16 C17 H17 119.5 . .
C19 C18 C17 120.5(4) . .
C19 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C18 C19 C20 119.0(3) . .
C18 C19 H19 120.5 . .
C20 C19 H19 120.5 . .
C21 C20 C19 120.8(4) . .
C21 C20 H20 119.6 . .
C19 C20 H20 119.6 . .
C20 C21 C16 120.8(4) . .
C20 C21 H21 119.6 . .
C16 C21 H21 119.6 . .
N7 C22 C23 121.2(3) . .
N7 C22 N6 118.6(3) . .
C23 C22 N6 120.2(3) . .
C24 C23 C22 118.9(3) . .
C24 C23 H23 120.5 . .
C22 C23 H23 120.5 . .
C23 C24 C25 120.3(3) . .
C23 C24 H24 119.8 . .
C25 C24 H24 119.8 . .
C24 C25 C26 118.8(3) . .
C24 C25 H25 120.6 . .
C26 C25 H25 120.6 . .
N7 C26 C25 121.5(3) . .
N7 C26 N8 118.5(3) . .
C25 C26 N8 120.0(3) . .
N8 C27 C28 109.3(3) . .
N8 C27 H27A 109.8 . .
C28 C27 H27A 109.8 . .
N8 C27 H27B 109.8 . .
C28 C27 H27B 109.8 . .
H27A C27 H27B 108.3 . .
C27 C28 C29 107.4(3) . .
C27 C28 H28A 110.2 . .
C29 C28 H28A 110.2 . .
C27 C28 H28B 110.2 . .
C29 C28 H28B 110.2 . .
H28A C28 H28B 108.5 . .
N9 C29 C28 112.3(3) . .
N9 C29 H29A 109.2 . .
C28 C29 H29A 109.2 . .
N9 C29 H29B 109.2 . .
C28 C29 H29B 109.2 . .
H29A C29 H29B 107.9 . .
N9 C30 C31 108.3(3) . .
N9 C30 H30A 110.0 . .
C31 C30 H30A 110.0 . .
N9 C30 H30B 110.0 . .
C31 C30 H30B 110.0 . .
H30A C30 H30B 108.4 . .
C30 C31 C32 108.9(3) . .
C30 C31 H31A 109.9 . .
C32 C31 H31A 109.9 . .
C30 C31 H31B 109.9 . .
C32 C31 H31B 109.9 . .
H31A C31 H31B 108.3 . .
N10 C32 C31 114.0(3) . .
N10 C32 H32A 108.8 . .
C31 C32 H32A 108.8 . .
N10 C32 H32B 108.8 . .
C31 C32 H32B 108.8 . .
H32A C32 H32B 107.6 . .
N10 C33 N9 124.2(3) . .
N10 C33 N8 118.7(3) . .
N9 C33 N8 117.0(3) . .
N6 C34 C35 109.4(3) . .
N6 C34 H34A 109.8 . .
C35 C34 H34A 109.8 . .
N6 C34 H34B 109.8 . .
C35 C34 H34B 109.8 . .
H34A C34 H34B 108.2 . .
C34 C35 C36 107.2(3) . .
C34 C35 H35A 110.3 . .
C36 C35 H35A 110.3 . .
C34 C35 H35B 110.3 . .
C36 C35 H35B 110.3 . .
H35A C35 H35B 108.5 . .
N5 C36 C35 112.3(3) . .
N5 C36 H36A 109.1 . .
C35 C36 H36A 109.1 . .
N5 C36 H36B 109.1 . .
C35 C36 H36B 109.1 . .
H36A C36 H36B 107.9 . .
N5 C37 C38 109.1(3) . .
N5 C37 H37A 109.9 . .
C38 C37 H37A 109.9 . .
N5 C37 H37B 109.9 . .
C38 C37 H37B 109.9 . .
H37A C37 H37B 108.3 . .
C37 C38 C39 108.3(3) . .
C37 C38 H38A 110.0 . .
C39 C38 H38A 110.0 . .
C37 C38 H38B 110.0 . .
C39 C38 H38B 110.0 . .
H38A C38 H38B 108.4 . .
N4 C39 C38 114.1(3) . .
N4 C39 H39A 108.7 . .
C38 C39 H39A 108.7 . .
N4 C39 H39B 108.7 . .
C38 C39 H39B 108.7 . .
H39A C39 H39B 107.6 . .
N4 C40 N5 124.3(3) . .
N4 C40 N6 119.4(3) . .
N5 C40 N6 116.2(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N2 1.946(2) .
Ru1 N1 2.065(2) .
Ru1 N4 2.071(2) .
Ru1 N7 2.072(2) .
Ru1 N3 2.076(2) .
Ru1 N10 2.092(3) .
P1 F1A 1.527(4) .
P1 F3 1.562(3) .
P1 F2B 1.566(10) .
P1 F6A 1.584(4) .
P1 F2A 1.605(5) .
P1 F4 1.607(4) .
P1 F5 1.616(3) .
P1 F6B 1.732(13) .
P1 F1B 1.88(2) .
P2 F9 1.592(2) .
P2 F9 1.592(2) 5_575
P2 F7 1.595(2) 5_575
P2 F7 1.595(2) .
P2 F8 1.602(2) 5_575
P2 F8 1.602(2) .
P3 F10B 1.460(17) 2
P3 F10B 1.460(17) .
P3 F12 1.572(3) 2
P3 F12 1.572(3) .
P3 F11 1.592(3) 2
P3 F11 1.592(3) .
P3 F10A 1.659(6) 2
P3 F10A 1.659(6) .
F1A F1B 0.990(18) .
F1A F2B 1.484(11) .
F1A F6B 1.570(14) .
F2A F2B 1.077(12) .
F6A F6B 0.979(17) .
F10A F10B 1.07(3) .
F10B F10B 1.20(5) 2
N1 C5 1.346(4) .
N1 C1 1.376(4) .
N2 C10 1.353(4) .
N2 C6 1.355(4) .
N3 C15 1.347(4) .
N3 C11 1.374(4) .
N4 C40 1.305(4) .
N4 C39 1.476(4) .
N5 C40 1.350(4) .
N5 C37 1.461(4) .
N5 C36 1.466(4) .
N6 C22 1.399(4) .
N6 C40 1.407(4) .
N6 C34 1.473(4) .
N7 C22 1.352(4) .
N7 C26 1.360(4) .
N8 C33 1.400(4) .
N8 C26 1.409(4) .
N8 C27 1.476(4) .
N9 C33 1.343(4) .
N9 C30 1.467(5) .
N9 C29 1.470(5) .
N10 C33 1.310(4) .
N10 C32 1.465(4) .
C1 C2 1.391(4) .
C1 C6 1.472(4) .
C2 C3 1.384(5) .
C2 H2 0.9500 .
C3 C4 1.384(5) .
C3 H3 0.9500 .
C4 C5 1.384(5) .
C4 H4 0.9500 .
C5 H5 0.9500 .
C6 C7 1.384(4) .
C7 C8 1.400(4) .
C7 H7 0.9500 .
C8 C9 1.399(5) .
C8 C16 1.483(4) .
C9 C10 1.387(4) .
C9 H9 0.9500 .
C10 C11 1.472(4) .
C11 C12 1.394(4) .
C12 C13 1.379(5) .
C12 H12 0.9500 .
C13 C14 1.383(5) .
C13 H13 0.9500 .
C14 C15 1.387(5) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C21 1.396(5) .
C16 C17 1.401(5) .
C17 C18 1.390(5) .
C17 H17 0.9500 .
C18 C19 1.381(6) .
C18 H18 0.9500 .
C19 C20 1.391(6) .
C19 H19 0.9500 .
C20 C21 1.384(5) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 C23 1.397(4) .
C23 C24 1.374(6) .
C23 H23 0.9500 .
C24 C25 1.375(6) .
C24 H24 0.9500 .
C25 C26 1.387(5) .
C25 H25 0.9500 .
C27 C28 1.497(6) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 C29 1.505(6) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.510(6) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.511(5) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C34 C35 1.501(6) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.507(6) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 C38 1.512(5) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C38 C39 1.513(4) .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
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_4
F3 P1 F1A F1B 56.8(11) . .
F2B P1 F1A F1B 137.4(12) . .
F6A P1 F1A F1B -121.4(11) . .
F2A P1 F1A F1B 149.7(10) . .
F5 P1 F1A F1B -35.2(10) . .
F6B P1 F1A F1B -118.5(11) . .
F3 P1 F1A F2B -80.6(5) . .
F6A P1 F1A F2B 101.1(5) . .
F2A P1 F1A F2B 12.3(6) . .
F5 P1 F1A F2B -172.6(5) . .
F6B P1 F1A F2B 104.1(7) . .
F1B P1 F1A F2B -137.4(12) . .
F3 P1 F1A F6B 175.3(4) . .
F2B P1 F1A F6B -104.1(7) . .
F6A P1 F1A F6B -3.0(5) . .
F2A P1 F1A F6B -91.8(4) . .
F5 P1 F1A F6B 83.3(4) . .
F1B P1 F1A F6B 118.5(11) . .
F2B F1A F1B P1 55.9(12) . .
F6B F1A F1B P1 -67.4(9) . .
F3 P1 F1B F1A -121.7(10) . .
F2B P1 F1B F1A -35.1(10) . .
F6A P1 F1B F1A 63.0(10) . .
F2A P1 F1B F1A -36.2(12) . .
F4 P1 F1B F1A 175.5(4) . .
F5 P1 F1B F1A 141.3(11) . .
F6B P1 F1B F1A 49.8(9) . .
F1A P1 F2A F2B -16.3(7) . .
F3 P1 F2A F2B 79.4(7) . .
F6A P1 F2A F2B -107.2(7) . .
F4 P1 F2A F2B 165.3(7) . .
F6B P1 F2A F2B -73.7(9) . .
F1B P1 F2A F2B 1.8(9) . .
P1 F2A F2B F1A 21.6(9) . .
F1B F1A F2B F2A -92(2) . .
P1 F1A F2B F2A -23.8(9) . .
F6B F1A F2B F2A 40.2(13) . .
F1B F1A F2B P1 -68.3(16) . .
F6B F1A F2B P1 64.1(6) . .
F1A P1 F2B F2A 160.6(8) . .
F3 P1 F2B F2A -99.7(6) . .
F6A P1 F2B F2A 75.8(6) . .
F4 P1 F2B F2A -18.1(8) . .
F5 P1 F2B F2A 175.0(4) . .
F6B P1 F2B F2A 105.4(8) . .
F1B P1 F2B F2A -178.4(8) . .
F3 P1 F2B F1A 99.7(4) . .
F6A P1 F2B F1A -84.8(4) . .
F2A P1 F2B F1A -160.6(8) . .
F4 P1 F2B F1A -178.7(3) . .
F5 P1 F2B F1A 14.4(10) . .
F6B P1 F2B F1A -55.2(6) . .
F1B P1 F2B F1A 21.0(6) . .
F1A P1 F6A F6B 4.5(7) . .
F2B P1 F6A F6B 61.4(9) . .
F2A P1 F6A F6B 99.7(7) . .
F4 P1 F6A F6B -173.3(7) . .
F5 P1 F6A F6B -88.1(7) . .
F1B P1 F6A F6B -23.4(9) . .
P1 F6A F6B F1A -5.0(8) . .
F1B F1A F6B F6A 88.6(15) . .
F2B F1A F6B F6A -54.0(11) . .
P1 F1A F6B F6A 5.5(9) . .
F1B F1A F6B P1 83.1(12) . .
F2B F1A F6B P1 -59.5(4) . .
F1A P1 F6B F6A -174.7(9) . .
F3 P1 F6B F6A 175.2(5) . .
F2B P1 F6B F6A -119.4(8) . .
F2A P1 F6B F6A -81.3(7) . .
F4 P1 F6B F6A 7.8(9) . .
F5 P1 F6B F6A 89.4(7) . .
F1B P1 F6B F6A 156.9(9) . .
F3 P1 F6B F1A -10.1(10) . .
F2B P1 F6B F1A 55.3(5) . .
F6A P1 F6B F1A 174.7(9) . .
F2A P1 F6B F1A 93.4(4) . .
F4 P1 F6B F1A -177.5(3) . .
F5 P1 F6B F1A -95.9(3) . .
F1B P1 F6B F1A -28.4(5) . .
F10B P3 F10A F10B 49(4) 2 .
F12 P3 F10A F10B -148(2) . .
F11 P3 F10A F10B -59(2) 2 .
F11 P3 F10A F10B 121(2) . .
F10A P3 F10A F10B 30(2) 2 .
P3 F10A F10B F10B -61.9(7) . 2
F10B P3 F10B F10A -110(5) 2 .
F12 P3 F10B F10A 177.1(4) 2 .
F12 P3 F10B F10A 36(2) . .
F11 P3 F10B F10A 116.0(15) 2 .
F11 P3 F10B F10A -63.8(15) . .
F10A P3 F10B F10A -149(2) 2 .
F12 P3 F10B F10B -73(5) 2 2
F12 P3 F10B F10B 145(3) . 2
F11 P3 F10B F10B -134(4) 2 2
F11 P3 F10B F10B 46(4) . 2
F10A P3 F10B F10B -40(3) 2 2
F10A P3 F10B F10B 110(5) . 2
C5 N1 C1 C2 -4.1(4) . .
Ru1 N1 C1 C2 175.1(2) . .
C5 N1 C1 C6 173.4(3) . .
Ru1 N1 C1 C6 -7.4(3) . .
N1 C1 C2 C3 0.3(5) . .
C6 C1 C2 C3 -177.0(3) . .
C1 C2 C3 C4 3.0(5) . .
C2 C3 C4 C5 -2.3(5) . .
C1 N1 C5 C4 4.9(5) . .
Ru1 N1 C5 C4 -174.2(2) . .
C3 C4 C5 N1 -1.7(5) . .
C10 N2 C6 C7 -0.2(4) . .
Ru1 N2 C6 C7 -177.9(2) . .
C10 N2 C6 C1 -179.1(3) . .
Ru1 N2 C6 C1 3.2(3) . .
N1 C1 C6 N2 3.1(4) . .
C2 C1 C6 N2 -179.5(3) . .
N1 C1 C6 C7 -175.8(3) . .
C2 C1 C6 C7 1.7(5) . .
N2 C6 C7 C8 -1.2(4) . .
C1 C6 C7 C8 177.6(3) . .
C6 C7 C8 C9 1.1(4) . .
C6 C7 C8 C16 -179.1(3) . .
C7 C8 C9 C10 0.3(5) . .
C16 C8 C9 C10 -179.5(3) . .
C6 N2 C10 C9 1.7(4) . .
Ru1 N2 C10 C9 179.3(2) . .
C6 N2 C10 C11 -174.4(3) . .
Ru1 N2 C10 C11 3.2(3) . .
C8 C9 C10 N2 -1.7(5) . .
C8 C9 C10 C11 173.7(3) . .
C15 N3 C11 C12 -1.9(4) . .
Ru1 N3 C11 C12 -178.1(2) . .
C15 N3 C11 C10 173.9(3) . .
Ru1 N3 C11 C10 -2.3(3) . .
N2 C10 C11 N3 -0.4(4) . .
C9 C10 C11 N3 -176.1(3) . .
N2 C10 C11 C12 175.3(3) . .
C9 C10 C11 C12 -0.4(5) . .
N3 C11 C12 C13 2.1(5) . .
C10 C11 C12 C13 -173.3(3) . .
C11 C12 C13 C14 -0.9(5) . .
C12 C13 C14 C15 -0.4(5) . .
C11 N3 C15 C14 0.5(5) . .
Ru1 N3 C15 C14 176.1(2) . .
C13 C14 C15 N3 0.6(5) . .
C9 C8 C16 C21 26.8(5) . .
C7 C8 C16 C21 -153.1(3) . .
C9 C8 C16 C17 -153.7(3) . .
C7 C8 C16 C17 26.5(4) . .
C21 C16 C17 C18 -1.1(5) . .
C8 C16 C17 C18 179.4(3) . .
C16 C17 C18 C19 0.5(5) . .
C17 C18 C19 C20 -0.1(5) . .
C18 C19 C20 C21 0.3(5) . .
C19 C20 C21 C16 -0.9(5) . .
C17 C16 C21 C20 1.3(5) . .
C8 C16 C21 C20 -179.1(3) . .
C26 N7 C22 C23 0.5(5) . .
Ru1 N7 C22 C23 -178.1(2) . .
C26 N7 C22 N6 177.8(3) . .
Ru1 N7 C22 N6 -0.8(4) . .
C40 N6 C22 N7 49.9(4) . .
C34 N6 C22 N7 -152.3(3) . .
C40 N6 C22 C23 -132.8(3) . .
C34 N6 C22 C23 25.0(4) . .
N7 C22 C23 C24 1.5(5) . .
N6 C22 C23 C24 -175.8(3) . .
C22 C23 C24 C25 -1.4(5) . .
C23 C24 C25 C26 -0.5(6) . .
C22 N7 C26 C25 -2.6(5) . .
Ru1 N7 C26 C25 176.0(3) . .
C22 N7 C26 N8 174.9(3) . .
Ru1 N7 C26 N8 -6.5(4) . .
C24 C25 C26 N7 2.6(5) . .
C24 C25 C26 N8 -174.8(3) . .
C33 N8 C26 N7 55.0(4) . .
C27 N8 C26 N7 -145.3(3) . .
C33 N8 C26 C25 -127.4(3) . .
C27 N8 C26 C25 32.3(5) . .
C33 N8 C27 C28 53.5(4) . .
C26 N8 C27 C28 -107.6(4) . .
N8 C27 C28 C29 -63.3(4) . .
C33 N9 C29 C28 -7.3(5) . .
C30 N9 C29 C28 174.8(3) . .
C27 C28 C29 N9 40.7(4) . .
C33 N9 C30 C31 40.4(5) . .
C29 N9 C30 C31 -141.6(3) . .
N9 C30 C31 C32 -57.3(4) . .
C33 N10 C32 C31 -10.2(5) . .
Ru1 N10 C32 C31 179.7(2) . .
C30 C31 C32 N10 44.0(4) . .
C32 N10 C33 N9 -11.0(5) . .
Ru1 N10 C33 N9 159.1(3) . .
C32 N10 C33 N8 171.3(3) . .
Ru1 N10 C33 N8 -18.6(4) . .
C30 N9 C33 N10 -5.5(5) . .
C29 N9 C33 N10 176.7(3) . .
C30 N9 C33 N8 172.2(3) . .
C29 N9 C33 N8 -5.6(5) . .
C26 N8 C33 N10 -40.2(4) . .
C27 N8 C33 N10 159.8(3) . .
C26 N8 C33 N9 142.0(3) . .
C27 N8 C33 N9 -18.1(4) . .
C22 N6 C34 C35 -103.3(4) . .
C40 N6 C34 C35 56.4(4) . .
N6 C34 C35 C36 -64.2(4) . .
C40 N5 C36 C35 -0.6(6) . .
C37 N5 C36 C35 179.9(3) . .
C34 C35 C36 N5 37.0(5) . .
C40 N5 C37 C38 41.6(4) . .
C36 N5 C37 C38 -138.8(3) . .
N5 C37 C38 C39 -57.4(3) . .
C40 N4 C39 C38 -10.8(4) . .
Ru1 N4 C39 C38 174.9(2) . .
C37 C38 C39 N4 43.4(4) . .
C39 N4 C40 N5 -9.2(5) . .
Ru1 N4 C40 N5 164.9(2) . .
C39 N4 C40 N6 174.4(3) . .
Ru1 N4 C40 N6 -11.5(4) . .
C37 N5 C40 N4 -7.4(5) . .
C36 N5 C40 N4 173.1(3) . .
C37 N5 C40 N6 169.1(3) . .
C36 N5 C40 N6 -10.4(5) . .
C22 N6 C40 N4 -43.1(4) . .
C34 N6 C40 N4 158.5(3) . .
C22 N6 C40 N5 140.2(3) . .
C34 N6 C40 N5 -18.2(4) . .
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 0.250 0.052 0.250 250 48 ' '
2 0.250 -0.065 0.750 250 48 ' '
3 0.750 0.052 0.250 250 48 ' '
4 0.750 -0.065 0.750 250 48 ' '
5 0.387 0.198 0.163 31 1 ' '
6 0.613 0.198 0.337 31 1 ' '
7 0.113 0.302 0.837 31 1 ' '
8 0.887 0.302 0.663 31 1 ' '
9 0.113 0.698 0.337 31 1 ' '
10 0.887 0.698 0.163 31 1 ' '
11 0.387 0.802 0.663 31 1 ' '
12 0.613 0.802 0.837 31 1 ' '
