#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:58:35 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179164 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/25/4312592.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_4312592
loop_
_publ_author_name
'Derek A. Tocher'
'Pankaj K. Pal'
'Dipankar Datta'
_publ_section_title
;
 Observation of 3MC Emission in a Mixed 1,10-Phenanthroline Complex of
 Ruthenium(II) Having a RuIIN6 Core at Room Temperature in Solution
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7704
_journal_page_last               7706
_journal_paper_doi               10.1021/ic034603y
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C34 H34 F12 N6 O3 P2 Ru'
_chemical_formula_weight         965.68
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.241(2)
_cell_length_b                   39.105(8)
_cell_length_c                   17.690(4)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      13
_cell_measurement_theta_min      9
_cell_volume                     8468(3)
_computing_cell_refinement       R3
_computing_data_collection       R3
_computing_data_reduction        XDISK
_computing_molecular_graphics    XP
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Nicolet R3mV'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1009
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7465
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.53
_diffrn_standards_decay_%        '< 2%'
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.539
_exptl_absorpt_correction_T_max  0.89
_exptl_absorpt_correction_T_min  0.66
_exptl_absorpt_correction_type   'PSI SCANS'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_description       block
_exptl_crystal_F_000             3888
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.54
_exptl_crystal_size_min          0.48
_refine_diff_density_max         0.881
_refine_diff_density_min         -0.367
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.940
_refine_ls_goodness_of_fit_obs   1.162
_refine_ls_hydrogen_treatment    'fixed on C atoms'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     556
_refine_ls_number_reflns         7457
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.990
_refine_ls_restrained_S_obs      1.162
_refine_ls_R_factor_all          0.1441
_refine_ls_R_factor_obs          0.0730
_refine_ls_shift/esd_max         0.002
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1179P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2294
_refine_ls_wR_factor_obs         0.1827
_reflns_number_observed          3642
_reflns_number_total             7465
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic034603ysi20030602_075438.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1179P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1179P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        8467.9(29)
_cod_database_code               4312592
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ru1 Ru 0.11547(5) 0.624009(15) 0.47248(4) 0.0486(2) Uani 1 d . .
N1 N 0.2428(5) 0.65701(15) 0.4512(4) 0.051(2) Uani 1 d . .
N2 N 0.2332(5) 0.6036(2) 0.5422(3) 0.052(2) Uani 1 d . .
N3 N 0.0602(6) 0.6487(2) 0.5673(4) 0.052(2) Uani 1 d . .
N4 N 0.0096(5) 0.6451(2) 0.3901(4) 0.055(2) Uani 1 d . .
N5 N -0.0082(6) 0.5915(2) 0.5058(4) 0.054(2) Uani 1 d . .
N6 N 0.1579(5) 0.59802(14) 0.3709(4) 0.052(2) Uani 1 d . .
O1 O -0.0373(6) 0.6462(2) 0.2672(4) 0.082(2) Uani 1 d . .
O2 O 0.1314(6) 0.5948(2) 0.2451(3) 0.079(2) Uani 1 d . .
C1 C 0.2497(7) 0.6829(2) 0.4017(5) 0.058(2) Uani 1 d . .
H1A H 0.1866(7) 0.6884(2) 0.3718(5) 0.080 Uiso 1 d R .
C2 C 0.3452(8) 0.7016(2) 0.3905(5) 0.071(3) Uani 1 d . .
H2A H 0.3479(8) 0.7194(2) 0.3533(5) 0.080 Uiso 1 d R .
C3 C 0.4358(8) 0.6945(2) 0.4313(6) 0.069(3) Uani 1 d . .
H3A H 0.5009(8) 0.7080(2) 0.4257(6) 0.080 Uiso 1 d R .
C4 C 0.4343(7) 0.6679(2) 0.4837(5) 0.059(2) Uani 1 d . .
C5 C 0.3355(7) 0.6502(2) 0.4911(4) 0.051(2) Uani 1 d . .
C6 C 0.5247(8) 0.6582(3) 0.5275(6) 0.085(3) Uani 1 d . .
H6A H 0.5927(8) 0.6701(3) 0.5215(6) 0.080 Uiso 1 d R .
C7 C 0.5199(8) 0.6326(3) 0.5762(6) 0.085(3) Uani 1 d . .
H7A H 0.5822(8) 0.6268(3) 0.6066(6) 0.080 Uiso 1 d R .
C8 C 0.4217(8) 0.6120(2) 0.5831(5) 0.068(2) Uani 1 d . .
C9 C 0.4103(9) 0.5837(3) 0.6314(5) 0.082(3) Uani 1 d . .
H9A H 0.4708(9) 0.5767(3) 0.6623(5) 0.080 Uiso 1 d R .
C10 C 0.3147(9) 0.5660(2) 0.6324(5) 0.074(3) Uani 1 d . .
H10A H 0.3064(9) 0.5464(2) 0.6645(5) 0.080 Uiso 1 d R .
C11 C 0.2277(8) 0.5765(2) 0.5893(4) 0.064(2) Uani 1 d . .
H11A H 0.1598(8) 0.5643(2) 0.5922(4) 0.080 Uiso 1 d R .
C12 C 0.3291(7) 0.6217(2) 0.5408(4) 0.052(2) Uani 1 d . .
C13 C -0.0447(7) 0.5624(2) 0.4728(5) 0.068(2) Uani 1 d . .
H13A H -0.0106(7) 0.5557(2) 0.4262(5) 0.080 Uiso 1 d R .
C14 C -0.1281(8) 0.5432(2) 0.5012(6) 0.075(3) Uani 1 d . .
H14A H -0.1507(8) 0.5228(2) 0.4752(6) 0.080 Uiso 1 d R .
C15 C -0.1802(8) 0.5529(2) 0.5665(6) 0.074(3) Uani 1 d . .
H15A H -0.2373(8) 0.5393(2) 0.5885(6) 0.080 Uiso 1 d R .
C16 C -0.1469(7) 0.5826(2) 0.6017(5) 0.063(2) Uani 1 d . .
C17 C -0.0600(7) 0.6012(2) 0.5704(5) 0.053(2) Uani 1 d . .
C18 C -0.1970(8) 0.5957(3) 0.6704(6) 0.073(3) Uani 1 d . .
H18A H -0.2561(8) 0.5833(3) 0.6933(6) 0.080 Uiso 1 d R .
C19 C -0.1602(9) 0.6242(3) 0.7018(5) 0.081(3) Uani 1 d . .
H19A H -0.1950(9) 0.6324(3) 0.7470(5) 0.080 Uiso 1 d R .
C20 C -0.0721(8) 0.6442(2) 0.6719(5) 0.066(2) Uani 1 d . .
C21 C -0.0303(9) 0.6754(3) 0.7014(6) 0.082(3) Uani 1 d . .
H21A H -0.0589(9) 0.6846(3) 0.7476(6) 0.080 Uiso 1 d R .
C22 C 0.0528(9) 0.6915(3) 0.6649(6) 0.087(3) Uani 1 d . .
H22A H 0.0833(9) 0.7120(3) 0.6857(6) 0.080 Uiso 1 d R .
C23 C 0.0980(8) 0.6779(2) 0.5965(6) 0.073(3) Uani 1 d . .
H23A H 0.1542(8) 0.6902(2) 0.5702(6) 0.080 Uiso 1 d R .
C24 C -0.0228(7) 0.6323(2) 0.6030(5) 0.058(2) Uani 1 d . .
C25 C -0.0850(7) 0.6701(2) 0.3860(5) 0.063(2) Uani 1 d . .
C26 C -0.0979(9) 0.6741(3) 0.3004(5) 0.085(3) Uani 1 d . .
H26A H -0.1737(9) 0.6715(3) 0.2878(5) 0.080 Uiso 1 d R .
H26B H -0.0728(9) 0.6960(3) 0.2828(5) 0.080 Uiso 1 d R .
C27 C 0.0249(8) 0.6345(2) 0.3234(5) 0.061(2) Uani 1 d . .
C28 C 0.1074(7) 0.6087(2) 0.3121(5) 0.056(2) Uani 1 d . .
C29 C 0.2104(8) 0.5687(2) 0.2607(5) 0.075(3) Uani 1 d . .
H29A H 0.2730(8) 0.5709(2) 0.2284(5) 0.080 Uiso 1 d R .
H29B H 0.1781(8) 0.5466(2) 0.2530(5) 0.080 Uiso 1 d R .
C30 C 0.2415(7) 0.5724(2) 0.3441(5) 0.062(2) Uani 1 d . .
C31 C -0.1834(9) 0.6520(3) 0.4197(7) 0.109(4) Uani 1 d . .
H31A H -0.1716(9) 0.6493(3) 0.4731(7) 0.080 Uiso 1 d R .
H31B H -0.2488(9) 0.6651(3) 0.4115(7) 0.080 Uiso 1 d R .
H31C H -0.1909(9) 0.6300(3) 0.3966(7) 0.080 Uiso 1 d R .
C32 C -0.0589(9) 0.7038(2) 0.4213(7) 0.096(4) Uani 1 d . .
H32A H -0.0469(9) 0.7010(2) 0.4746(7) 0.080 Uiso 1 d R .
H32B H 0.0064(9) 0.7124(2) 0.3980(7) 0.080 Uiso 1 d R .
H32C H -0.1176(9) 0.7197(2) 0.4132(7) 0.080 Uiso 1 d R .
C33 C 0.3544(8) 0.5865(3) 0.3555(7) 0.095(4) Uani 1 d . .
H33A H 0.3633(8) 0.6070(3) 0.3261(7) 0.080 Uiso 1 d R .
H33B H 0.3638(8) 0.5919(3) 0.4081(7) 0.080 Uiso 1 d R .
H33C H 0.4081(8) 0.5700(3) 0.3405(7) 0.080 Uiso 1 d R .
C34 C 0.2268(9) 0.5390(2) 0.3898(6) 0.092(3) Uani 1 d . .
H34A H 0.2478(9) 0.5431(2) 0.4413(6) 0.080 Uiso 1 d R .
H34B H 0.1513(9) 0.5324(2) 0.3881(6) 0.080 Uiso 1 d R .
H34C H 0.2711(9) 0.5210(2) 0.3692(6) 0.080 Uiso 1 d R .
P1 P 0.1495(4) 0.2500 0.1328(2) 0.0763(11) Uani 1 d S .
F1 F 0.2321(9) 0.2500 0.0659(6) 0.142(4) Uani 1 d S .
F2 F 0.1516(7) 0.2909(2) 0.1347(4) 0.133(3) Uani 1 d . .
F3 F 0.0700(9) 0.2500 0.2039(5) 0.119(3) Uani 1 d S .
F4 F 0.2499(10) 0.2500 0.1898(6) 0.146(4) Uani 1 d S .
F5 F 0.0505(9) 0.2500 0.0767(6) 0.136(4) Uani 1 d S .
P2 P 0.1491(3) 0.7500 0.2152(2) 0.0591(9) Uani 1 d S .
F6 F 0.1571(8) 0.7500 0.1279(5) 0.150(5) Uani 1 d S .
F7 F 0.1370(8) 0.7500 0.3048(5) 0.123(3) Uani 1 d S .
F8 F 0.0203(6) 0.7500 0.2069(5) 0.086(2) Uani 1 d S .
F9 F 0.1483(5) 0.70986(14) 0.2197(5) 0.131(3) Uani 1 d . .
F10 F 0.2781(6) 0.7500 0.2240(5) 0.086(2) Uani 1 d S .
P3 P 0.0546(2) 0.51063(7) 0.7202(2) 0.0722(7) Uani 1 d . .
F11 F 0.0485(6) 0.5130(2) 0.6321(3) 0.117(2) Uani 1 d . .
F12 F 0.0631(8) 0.5094(2) 0.8103(4) 0.156(3) Uani 1 d . .
F13 F -0.0722(5) 0.5172(2) 0.7272(5) 0.117(2) Uani 1 d . .
F14 F 0.0337(5) 0.47027(14) 0.7175(4) 0.116(2) Uani 1 d . .
F15 F 0.0743(5) 0.55105(14) 0.7214(4) 0.101(2) Uani 1 d . .
F16 F 0.1815(5) 0.5043(2) 0.7142(5) 0.133(3) Uani 1 d . .
O3A O -0.0406(22) 0.4848(13) 0.9864(23) 0.229(33) Uani 0.35 d P .
O3B O 0.7531(27) 0.7387(40) 0.5928(19) 0.430(91) Uani 0.35 d P .
O3C O 0.2002(27) 0.7158(8) 0.8570(21) 0.158(18) Uani 0.30 d P .
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'
O O 0.0106 0.0060 '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
_geom_angle_publ_flag
N3 Ru1 N1 96.0(3) . . ?
N3 Ru1 N2 85.6(3) . . ?
N1 Ru1 N2 79.8(3) . . ?
N3 Ru1 N5 79.3(3) . . ?
N1 Ru1 N5 173.9(3) . . ?
N2 Ru1 N5 95.9(3) . . ?
N3 Ru1 N4 100.2(3) . . ?
N1 Ru1 N4 95.3(2) . . ?
N2 Ru1 N4 172.8(3) . . ?
N5 Ru1 N4 89.3(3) . . ?
N3 Ru1 N6 174.8(3) . . ?
N1 Ru1 N6 87.7(2) . . ?
N2 Ru1 N6 98.6(3) . . ?
N5 Ru1 N6 97.2(2) . . ?
N4 Ru1 N6 75.8(3) . . ?
C1 N1 C5 115.6(7) . . ?
C1 N1 Ru1 129.8(6) . . ?
C5 N1 Ru1 114.5(5) . . ?
C11 N2 C12 117.2(7) . . ?
C11 N2 Ru1 129.8(6) . . ?
C12 N2 Ru1 112.9(5) . . ?
C23 N3 C24 118.9(7) . . ?
C23 N3 Ru1 127.1(6) . . ?
C24 N3 Ru1 113.9(5) . . ?
C27 N4 C25 106.3(7) . . ?
C27 N4 Ru1 115.0(6) . . ?
C25 N4 Ru1 138.7(6) . . ?
C13 N5 C17 116.3(7) . . ?
C13 N5 Ru1 129.5(6) . . ?
C17 N5 Ru1 114.1(5) . . ?
C28 N6 C30 106.8(7) . . ?
C28 N6 Ru1 114.3(5) . . ?
C30 N6 Ru1 138.4(6) . . ?
C27 O1 C26 104.5(7) . . ?
C28 O2 C29 105.6(7) . . ?
N1 C1 C2 122.8(9) . . ?
C3 C2 C1 120.4(8) . . ?
C2 C3 C4 119.8(9) . . ?
C5 C4 C3 116.2(8) . . ?
C5 C4 C6 119.8(8) . . ?
C3 C4 C6 123.9(9) . . ?
N1 C5 C4 125.2(7) . . ?
N1 C5 C12 115.2(7) . . ?
C4 C5 C12 119.5(8) . . ?
C7 C6 C4 121.9(9) . . ?
C6 C7 C8 120.8(10) . . ?
C9 C8 C12 117.0(9) . . ?
C9 C8 C7 124.7(10) . . ?
C12 C8 C7 118.3(9) . . ?
C10 C9 C8 119.6(9) . . ?
C9 C10 C11 120.6(9) . . ?
N2 C11 C10 122.6(9) . . ?
N2 C12 C8 122.8(8) . . ?
N2 C12 C5 117.5(7) . . ?
C8 C12 C5 119.5(8) . . ?
N5 C13 C14 123.4(9) . . ?
C13 C14 C15 120.4(9) . . ?
C14 C15 C16 118.3(8) . . ?
C15 C16 C17 119.0(9) . . ?
C15 C16 C18 123.2(9) . . ?
C17 C16 C18 117.8(8) . . ?
N5 C17 C16 122.6(8) . . ?
N5 C17 C24 115.6(7) . . ?
C16 C17 C24 121.8(8) . . ?
C19 C18 C16 120.2(9) . . ?
C18 C19 C20 124.1(9) . . ?
C21 C20 C19 127.1(9) . . ?
C21 C20 C24 116.0(9) . . ?
C19 C20 C24 116.9(9) . . ?
C22 C21 C20 119.5(9) . . ?
C21 C22 C23 121.2(9) . . ?
N3 C23 C22 120.6(9) . . ?
N3 C24 C17 117.0(8) . . ?
N3 C24 C20 123.7(8) . . ?
C17 C24 C20 119.2(8) . . ?
C32 C25 N4 112.7(8) . . ?
C32 C25 C31 114.5(9) . . ?
N4 C25 C31 106.8(7) . . ?
C32 C25 C26 110.2(8) . . ?
N4 C25 C26 101.1(7) . . ?
C31 C25 C26 110.7(9) . . ?
O1 C26 C25 105.8(7) . . ?
N4 C27 O1 119.8(8) . . ?
N4 C27 C28 117.7(8) . . ?
O1 C27 C28 122.6(8) . . ?
N6 C28 O2 118.7(8) . . ?
N6 C28 C27 117.0(7) . . ?
O2 C28 C27 124.2(8) . . ?
O2 C29 C30 106.6(7) . . ?
C33 C30 N6 109.8(7) . . ?
C33 C30 C29 113.2(8) . . ?
N6 C30 C29 101.4(7) . . ?
C33 C30 C34 110.3(8) . . ?
N6 C30 C34 108.5(7) . . ?
C29 C30 C34 113.2(8) . . ?
F1 P1 F5 91.1(6) . . ?
F1 P1 F4 88.9(7) . . ?
F5 P1 F4 180.0(6) . . ?
F1 P1 F3 177.3(7) . . ?
F5 P1 F3 91.6(6) . . ?
F4 P1 F3 88.4(6) . . ?
F1 P1 F2 90.3(3) . 7_565 ?
F5 P1 F2 91.4(3) . 7_565 ?
F4 P1 F2 88.6(3) . 7_565 ?
F3 P1 F2 89.6(3) . 7_565 ?
F1 P1 F2 90.3(3) . . ?
F5 P1 F2 91.4(3) . . ?
F4 P1 F2 88.6(3) . . ?
F3 P1 F2 89.6(3) . . ?
F2 P1 F2 177.0(7) 7_565 . ?
F6 P2 F9 93.0(4) . 7_575 ?
F6 P2 F9 93.0(4) . . ?
F9 P2 F9 174.1(7) 7_575 . ?
F6 P2 F8 88.3(5) . . ?
F9 P2 F8 89.9(3) 7_575 . ?
F9 P2 F8 89.9(3) . . ?
F6 P2 F10 92.0(5) . . ?
F9 P2 F10 90.1(3) 7_575 . ?
F9 P2 F10 90.1(3) . . ?
F8 P2 F10 179.6(5) . . ?
F6 P2 F7 178.3(6) . . ?
F9 P2 F7 87.0(4) 7_575 . ?
F9 P2 F7 87.0(4) . . ?
F8 P2 F7 90.0(5) . . ?
F10 P2 F7 89.7(5) . . ?
F11 P3 F13 91.2(4) . . ?
F11 P3 F16 89.4(4) . . ?
F13 P3 F16 179.3(5) . . ?
F11 P3 F15 87.7(4) . . ?
F13 P3 F15 89.2(4) . . ?
F16 P3 F15 90.4(4) . . ?
F11 P3 F12 178.0(5) . . ?
F13 P3 F12 89.5(5) . . ?
F16 P3 F12 89.9(5) . . ?
F15 P3 F12 90.4(4) . . ?
F11 P3 F14 91.2(4) . . ?
F13 P3 F14 90.4(4) . . ?
F16 P3 F14 90.0(4) . . ?
F15 P3 F14 178.9(4) . . ?
F12 P3 F14 90.7(4) . . ?
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 N3 2.050(6) . ?
Ru1 N1 2.058(6) . ?
Ru1 N2 2.057(7) . ?
Ru1 N5 2.063(7) . ?
Ru1 N4 2.119(7) . ?
Ru1 N6 2.128(6) . ?
N1 C1 1.342(9) . ?
N1 C5 1.363(10) . ?
N2 C11 1.350(9) . ?
N2 C12 1.371(10) . ?
N3 C23 1.335(10) . ?
N3 C24 1.357(10) . ?
N4 C27 1.265(10) . ?
N4 C25 1.515(10) . ?
N5 C13 1.356(10) . ?
N5 C17 1.362(10) . ?
N6 C28 1.281(10) . ?
N6 C30 1.507(10) . ?
O1 C27 1.334(10) . ?
O1 C26 1.443(11) . ?
O2 C28 1.336(9) . ?
O2 C29 1.433(10) . ?
C1 C2 1.392(12) . ?
C2 C3 1.352(13) . ?
C3 C4 1.395(12) . ?
C4 C5 1.397(12) . ?
C4 C6 1.403(13) . ?
C5 C12 1.425(10) . ?
C6 C7 1.322(13) . ?
C7 C8 1.450(13) . ?
C8 C9 1.407(13) . ?
C8 C12 1.410(12) . ?
C9 C10 1.359(13) . ?
C10 C11 1.373(12) . ?
C13 C14 1.364(12) . ?
C14 C15 1.373(13) . ?
C15 C16 1.380(12) . ?
C16 C17 1.403(11) . ?
C16 C18 1.455(12) . ?
C17 C24 1.419(11) . ?
C18 C19 1.326(13) . ?
C19 C20 1.432(13) . ?
C20 C21 1.422(12) . ?
C20 C24 1.437(12) . ?
C21 C22 1.358(13) . ?
C22 C23 1.434(13) . ?
C25 C32 1.493(12) . ?
C25 C31 1.519(13) . ?
C25 C26 1.531(12) . ?
C27 C28 1.439(11) . ?
C29 C30 1.531(12) . ?
C30 C33 1.502(12) . ?
C30 C34 1.548(11) . ?
P1 F1 1.557(10) . ?
P1 F5 1.567(11) . ?
P1 F4 1.590(11) . ?
P1 F3 1.590(10) . ?
P1 F2 1.599(6) 7_565 ?
P1 F2 1.599(6) . ?
P2 F6 1.547(9) . ?
P2 F9 1.572(6) 7_575 ?
P2 F9 1.572(6) . ?
P2 F8 1.583(8) . ?
P2 F10 1.586(7) . ?
P2 F7 1.593(10) . ?
P3 F11 1.564(6) . ?
P3 F13 1.579(7) . ?
P3 F16 1.577(7) . ?
P3 F15 1.599(6) . ?
P3 F12 1.597(7) . ?
P3 F14 1.600(6) . ?
