#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:58:19 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179736 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/32/7003260.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_7003260
loop_
_publ_author_name
'Beves, Jonathon E.'
'Dunphy, Emma L.'
'Constable, Edwin C.'
'Housecroft, Catherine E.'
'Kepert, Cameron J.'
'Neuburger, Markus'
'Price, David J.'
'Schaffner, Silvia'
_publ_section_title
;
 Vectorial property dependence in
 bis{4′-(n-pyridyl)-2,2′:6′,2″-terpyridine}iron(ii)
 and ruthenium(ii) complexes with n = 2, 3 and 4
;
_journal_issue                   3
_journal_name_full               'Dalton Transactions'
_journal_page_first              386
_journal_paper_doi               10.1039/b714970k
_journal_year                    2008
_chemical_formula_sum            'C40 H36 F12 N8 O2 P2 Ru'
_chemical_formula_weight         1051.78
_chemical_name_common            '[Ru(tpy(2-py))2](PF6)2.4H2O'
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.305(5)
_cell_angle_beta                 99.731(4)
_cell_angle_gamma                113.697(4)
_cell_formula_units_Z            4
_cell_length_a                   16.124(4)
_cell_length_b                   16.170(4)
_cell_length_c                   17.526(4)
_cell_measurement_reflns_used    980
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.64
_cell_measurement_theta_min      3.02
_cell_volume                     4071.9(17)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.933
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       ω
_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  0.0179
_diffrn_reflns_av_sigmaI/netI    0.0470
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            27431
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.03
_diffrn_reflns_theta_min         1.19
_diffrn_standards_decay_%        0.00
_diffrn_standards_number         294
_exptl_absorpt_coefficient_mu    0.568
_exptl_absorpt_correction_T_max  0.970000
_exptl_absorpt_correction_T_min  0.840948
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker 1995'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.716
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2120
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.220
_refine_diff_density_min         -1.213
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1157
_refine_ls_number_reflns         18394
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0838
_refine_ls_R_factor_gt           0.0598
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0852P)²+12.2749P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1536
_refine_ls_wR_factor_ref         0.1718
_reflns_number_gt                13834
_reflns_number_total             18394
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b714970k.txt
_cod_data_source_block           jb512abs
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4071.9(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7003260
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.58488(2) 0.83780(2) 0.254287(19) 0.02371(10) Uani 1 1 d . . .
Ru2 Ru 0.09228(2) 0.34131(2) 0.294995(19) 0.02185(9) Uani 1 1 d . . .
P1 P 0.18667(9) 0.62588(10) -0.06264(8) 0.0371(3) Uani 1 1 d . . .
P2 P 0.11928(14) 0.86476(10) 0.47840(8) 0.0589(5) Uani 1 1 d . . .
P3 P 0.40683(8) 0.63333(8) 0.49123(7) 0.0294(3) Uani 1 1 d . . .
P40 P 0.2471(5) 0.2406(5) 0.0059(4) 0.082(2) Uiso 0.390(6) 1 d P . .
P41 P 0.21787(16) 0.17671(17) 0.00144(13) 0.0362(7) Uiso 0.610(6) 1 d P . .
F1 F 0.2225(2) 0.5489(2) -0.04283(19) 0.0532(8) Uani 1 1 d . . .
F2 F 0.2541(3) 0.6898(3) 0.0164(2) 0.0611(9) Uani 1 1 d . . .
F3 F 0.2645(3) 0.6656(3) -0.1110(2) 0.0643(10) Uani 1 1 d . . .
F4 F 0.1172(3) 0.5584(3) -0.14076(19) 0.0562(9) Uani 1 1 d . . .
F5 F 0.1067(2) 0.5824(2) -0.01618(19) 0.0514(8) Uani 1 1 d . . .
F6 F 0.1498(2) 0.7011(2) -0.0836(2) 0.0490(8) Uani 1 1 d . . .
F7 F 0.1339(3) 0.9548(3) 0.5332(2) 0.0713(11) Uani 1 1 d . . .
F12 F 0.1335(3) 0.8201(2) 0.5530(2) 0.0744(13) Uani 1 1 d . . .
F13 F 0.4545(2) 0.7143(2) 0.56461(18) 0.0515(8) Uani 1 1 d . . .
F14 F 0.3845(2) 0.70085(19) 0.43756(18) 0.0408(7) Uani 1 1 d . . .
F15 F 0.50557(19) 0.6630(2) 0.46677(16) 0.0363(6) Uani 1 1 d . . .
F16 F 0.36058(19) 0.55256(18) 0.41786(16) 0.0367(6) Uani 1 1 d . . .
F17 F 0.4299(2) 0.5660(2) 0.54444(18) 0.0434(7) Uani 1 1 d . . .
F18 F 0.3082(2) 0.6030(2) 0.5143(2) 0.0497(8) Uani 1 1 d . . .
F20 F 0.2997(3) 0.1805(4) 0.0681(2) 0.0914(16) Uani 1 1 d . . .
F21 F 0.3017(4) 0.2564(5) -0.0326(3) 0.116(2) Uani 1 1 d . . .
F22 F 0.2245(4) 0.1054(4) -0.0542(4) 0.1106(18) Uani 1 1 d . . .
F80 F 0.0038(5) 0.8315(5) 0.4907(5) 0.051(2) Uiso 0.483(10) 1 d P . .
F81 F 0.0239(10) 0.8094(10) 0.4620(9) 0.126(5) Uiso 0.517(10) 1 d P . .
F90 F 0.1317(7) 0.9065(6) 0.4016(5) 0.069(3) Uiso 0.483(10) 1 d P . .
F91 F 0.0795(6) 0.9097(5) 0.4057(4) 0.055(2) Uiso 0.517(10) 1 d P . .
F100 F 0.1309(8) 0.7766(6) 0.4287(5) 0.071(3) Uiso 0.483(10) 1 d P . .
F101 F 0.0765(6) 0.7724(5) 0.4216(4) 0.050(2) Uiso 0.517(10) 1 d P . .
F110 F 0.2408(8) 0.9126(7) 0.5002(7) 0.078(3) Uiso 0.483(10) 1 d P . .
F111 F 0.2109(7) 0.9075(7) 0.4630(7) 0.080(3) Uiso 0.517(10) 1 d P . .
F190 F 0.2346(7) 0.2898(7) 0.0550(6) 0.055(2) Uiso 0.390(6) 1 d P . .
F191 F 0.1977(7) 0.2309(7) 0.0594(6) 0.100(3) Uiso 0.610(6) 1 d P . .
F230 F 0.1643(8) 0.2269(9) -0.0561(7) 0.072(3) Uiso 0.390(6) 1 d P . .
F231 F 0.1376(4) 0.1747(5) -0.0653(4) 0.0558(16) Uiso 0.610(6) 1 d P . .
F240 F 0.1500(8) 0.1419(8) 0.0510(7) 0.068(3) Uiso 0.390(6) 1 d P . .
F241 F 0.1405(7) 0.0863(8) 0.0263(6) 0.113(3) Uiso 0.610(6) 1 d P . .
O20 O 0.3772(6) 0.8615(6) 0.5684(5) 0.125(3) Uiso 1 1 d . . .
O210 O 0.2258(5) 0.9466(4) 0.0566(4) 0.058(2) Uiso 0.689(12) 1 d P . .
O220 O 0.3653(4) 0.8931(4) 0.0490(4) 0.054(2) Uiso 0.699(13) 1 d P . .
O230 O 0.4553(5) 0.3937(5) 0.0801(4) 0.056(2) Uiso 0.598(11) 1 d P . .
N1 N 0.6991(3) 0.8075(2) 0.2707(2) 0.0250(7) Uani 1 1 d . . .
N2 N 0.6177(2) 0.8527(2) 0.3700(2) 0.0238(7) Uani 1 1 d . . .
N3 N 0.4828(3) 0.8716(2) 0.2846(2) 0.0283(8) Uani 1 1 d . . .
N4 N 0.4889(3) 0.7018(2) 0.2244(2) 0.0261(8) Uani 1 1 d . . .
N5 N 0.5534(3) 0.8248(3) 0.1385(2) 0.0274(8) Uani 1 1 d . . .
N6 N 0.6666(3) 0.9691(2) 0.2371(2) 0.0263(8) Uani 1 1 d . . .
N7 N 0.2164(2) 0.3320(2) 0.2974(2) 0.0240(7) Uani 1 1 d . . .
N8 N 0.1424(2) 0.3621(2) 0.4097(2) 0.0223(7) Uani 1 1 d . . .
N9 N -0.0110(3) 0.3610(2) 0.3389(2) 0.0264(8) Uani 1 1 d . . .
N10 N 0.0214(3) 0.2002(2) 0.2727(2) 0.0276(8) Uani 1 1 d . . .
N11 N 0.0520(2) 0.3194(2) 0.1797(2) 0.0244(7) Uani 1 1 d . . .
N12 N 0.1421(2) 0.4742(2) 0.2705(2) 0.0247(7) Uani 1 1 d . . .
N13 N 0.7785(3) 0.8907(3) 0.6470(2) 0.0415(10) Uani 1 1 d . . .
N14 N 0.4758(3) 0.8720(4) -0.1416(3) 0.0523(13) Uani 1 1 d . . .
N15 N 0.2069(3) 0.4417(3) 0.6996(2) 0.0331(9) Uani 1 1 d . . .
N16 N -0.0660(4) 0.1846(3) -0.1034(3) 0.0472(11) Uani 1 1 d . . .
C1 C 0.7369(3) 0.7825(3) 0.2160(3) 0.0310(10) Uani 1 1 d . . .
H1 H 0.7074 0.7732 0.1623 0.037 Uiso 1 1 calc R . .
C2 C 0.8180(3) 0.7696(3) 0.2349(3) 0.0335(10) Uani 1 1 d . . .
H2 H 0.8423 0.7505 0.1947 0.040 Uiso 1 1 calc R . .
C3 C 0.8622(3) 0.7848(3) 0.3120(3) 0.0333(10) Uani 1 1 d . . .
H3 H 0.9185 0.7782 0.3258 0.040 Uiso 1 1 calc R . .
C4 C 0.8238(3) 0.8100(3) 0.3699(3) 0.0285(9) Uani 1 1 d . . .
H4 H 0.8537 0.8206 0.4236 0.034 Uiso 1 1 calc R . .
C5 C 0.7420(3) 0.8195(3) 0.3488(2) 0.0260(9) Uani 1 1 d . . .
C6 C 0.6941(3) 0.8427(3) 0.4054(2) 0.0248(9) Uani 1 1 d . . .
C7 C 0.7186(3) 0.8529(3) 0.4855(3) 0.0268(9) Uani 1 1 d . . .
H7 H 0.7717 0.8450 0.5096 0.032 Uiso 1 1 calc R . .
C8 C 0.6653(3) 0.8748(3) 0.5317(3) 0.0273(9) Uani 1 1 d . . .
C9 C 0.6938(3) 0.8866(3) 0.6185(3) 0.0299(10) Uani 1 1 d . . .
C10 C 0.6363(4) 0.8918(3) 0.6665(3) 0.0319(10) Uani 1 1 d . . .
H10 H 0.5760 0.8867 0.6448 0.038 Uiso 1 1 calc R . .
C11 C 0.6676(4) 0.9044(3) 0.7466(3) 0.0398(12) Uani 1 1 d . . .
H11 H 0.6290 0.9085 0.7807 0.048 Uiso 1 1 calc R . .
C12 C 0.7553(4) 0.9112(3) 0.7771(3) 0.0396(12) Uani 1 1 d . . .
H12 H 0.7783 0.9208 0.8321 0.048 Uiso 1 1 calc R . .
C13 C 0.8083(4) 0.9037(4) 0.7258(3) 0.0434(12) Uani 1 1 d . . .
H13 H 0.8684 0.9078 0.7464 0.052 Uiso 1 1 calc R . .
C14 C 0.5874(3) 0.8857(3) 0.4947(3) 0.0282(9) Uani 1 1 d . . .
H14 H 0.5503 0.9008 0.5248 0.034 Uiso 1 1 calc R . .
C15 C 0.5645(3) 0.8741(3) 0.4132(3) 0.0262(9) Uani 1 1 d . . .
C16 C 0.4861(3) 0.8820(3) 0.3633(3) 0.0295(9) Uani 1 1 d . . .
C17 C 0.4169(3) 0.8968(3) 0.3917(3) 0.0351(11) Uani 1 1 d . . .
H17 H 0.4194 0.9039 0.4465 0.042 Uiso 1 1 calc R . .
C18 C 0.3442(4) 0.9011(3) 0.3400(4) 0.0409(12) Uani 1 1 d . . .
H18 H 0.2964 0.9107 0.3589 0.049 Uiso 1 1 calc R . .
C19 C 0.3420(4) 0.8913(3) 0.2605(3) 0.0400(12) Uani 1 1 d . . .
H19 H 0.2928 0.8944 0.2242 0.048 Uiso 1 1 calc R . .
C20 C 0.4118(3) 0.8771(3) 0.2347(3) 0.0332(10) Uani 1 1 d . . .
H20 H 0.4102 0.8708 0.1800 0.040 Uiso 1 1 calc R . .
C21 C 0.4553(3) 0.6422(3) 0.2732(3) 0.0296(9) Uani 1 1 d . . .
H21 H 0.4771 0.6619 0.3282 0.035 Uiso 1 1 calc R . .
C22 C 0.3900(3) 0.5534(3) 0.2458(3) 0.0333(10) Uani 1 1 d . . .
H22 H 0.3676 0.5127 0.2815 0.040 Uiso 1 1 calc R . .
C23 C 0.3574(3) 0.5242(3) 0.1658(3) 0.0349(10) Uani 1 1 d . . .
H23 H 0.3135 0.4630 0.1461 0.042 Uiso 1 1 calc R . .
C24 C 0.3895(3) 0.5848(3) 0.1152(3) 0.0340(10) Uani 1 1 d . . .
H24 H 0.3669 0.5663 0.0602 0.041 Uiso 1 1 calc R . .
C25 C 0.4552(3) 0.6731(3) 0.1453(3) 0.0282(9) Uani 1 1 d . . .
C26 C 0.4926(3) 0.7436(3) 0.0957(3) 0.0286(9) Uani 1 1 d . . .
C27 C 0.4692(3) 0.7336(3) 0.0147(3) 0.0322(10) Uani 1 1 d . . .
H27 H 0.4272 0.6759 -0.0153 0.039 Uiso 1 1 calc R . .
C28 C 0.5081(3) 0.8093(4) -0.0225(3) 0.0334(10) Uani 1 1 d . . .
C29 C 0.4799(3) 0.7998(4) -0.1091(3) 0.0366(11) Uani 1 1 d . . .
C30 C 0.4569(3) 0.7185(3) -0.1518(3) 0.0330(10) Uani 1 1 d . . .
H30 H 0.4623 0.6700 -0.1271 0.040 Uiso 1 1 calc R . .
C31 C 0.4259(4) 0.7060(4) -0.2305(3) 0.0470(14) Uani 1 1 d . . .
H31 H 0.4097 0.6484 -0.2609 0.056 Uiso 1 1 calc R . .
C32 C 0.4175(4) 0.7755(5) -0.2671(3) 0.0474(14) Uani 1 1 d . . .
H32 H 0.3944 0.7662 -0.3221 0.057 Uiso 1 1 calc R . .
C33 C 0.4435(4) 0.8592(5) -0.2217(3) 0.0471(14) Uani 1 1 d . . .
H33 H 0.4392 0.9084 -0.2459 0.057 Uiso 1 1 calc R . .
C34 C 0.5709(3) 0.8933(4) 0.0227(3) 0.0360(11) Uani 1 1 d . . .
H34 H 0.5978 0.9455 -0.0015 0.043 Uiso 1 1 calc R . .
C35 C 0.5930(3) 0.8989(3) 0.1032(3) 0.0307(10) Uani 1 1 d . . .
C36 C 0.6583(3) 0.9805(3) 0.1591(3) 0.0298(9) Uani 1 1 d . . .
C37 C 0.7079(4) 1.0639(3) 0.1376(3) 0.0353(11) Uani 1 1 d . . .
H37 H 0.7018 1.0705 0.0838 0.042 Uiso 1 1 calc R . .
C38 C 0.7664(4) 1.1373(3) 0.1946(3) 0.0372(11) Uani 1 1 d . . .
H38 H 0.8002 1.1952 0.1805 0.045 Uiso 1 1 calc R . .
C39 C 0.7750(4) 1.1256(3) 0.2725(3) 0.0353(11) Uani 1 1 d . . .
H39 H 0.8153 1.1753 0.3126 0.042 Uiso 1 1 calc R . .
C40 C 0.7243(3) 1.0408(3) 0.2914(3) 0.0290(9) Uani 1 1 d . . .
H40 H 0.7309 1.0333 0.3450 0.035 Uiso 1 1 calc R . .
C41 C 0.2513(3) 0.3162(3) 0.2357(3) 0.0269(9) Uani 1 1 d . . .
H41 H 0.2150 0.3056 0.1843 0.032 Uiso 1 1 calc R . .
C42 C 0.3368(3) 0.3148(3) 0.2442(3) 0.0312(10) Uani 1 1 d . . .
H42 H 0.3586 0.3029 0.1995 0.037 Uiso 1 1 calc R . .
C43 C 0.3907(3) 0.3308(3) 0.3186(3) 0.0323(10) Uani 1 1 d . . .
H43 H 0.4506 0.3311 0.3256 0.039 Uiso 1 1 calc R . .
C44 C 0.3559(3) 0.3466(3) 0.3832(3) 0.0293(9) Uani 1 1 d . . .
H44 H 0.3916 0.3572 0.4349 0.035 Uiso 1 1 calc R . .
C45 C 0.2693(3) 0.3466(3) 0.3714(2) 0.0234(8) Uani 1 1 d . . .
C46 C 0.2263(3) 0.3625(3) 0.4355(2) 0.0228(8) Uani 1 1 d . . .
C47 C 0.2654(3) 0.3806(3) 0.5149(2) 0.0252(9) Uani 1 1 d . . .
H47 H 0.3244 0.3807 0.5327 0.030 Uiso 1 1 calc R . .
C48 C 0.2177(3) 0.3987(3) 0.5692(2) 0.0250(9) Uani 1 1 d . . .
C49 C 0.2596(3) 0.4247(3) 0.6546(3) 0.0271(9) Uani 1 1 d . . .
C50 C 0.3473(4) 0.4308(3) 0.6864(3) 0.0351(10) Uani 1 1 d . . .
H50 H 0.3837 0.4191 0.6533 0.042 Uiso 1 1 calc R . .
C51 C 0.3812(4) 0.4541(4) 0.7667(3) 0.0414(12) Uani 1 1 d . . .
H51 H 0.4409 0.4583 0.7896 0.050 Uiso 1 1 calc R . .
C52 C 0.3268(4) 0.4709(4) 0.8129(3) 0.0404(12) Uani 1 1 d . . .
H52 H 0.3478 0.4863 0.8683 0.048 Uiso 1 1 calc R . .
C53 C 0.2414(4) 0.4649(3) 0.7771(3) 0.0364(11) Uani 1 1 d . . .
H53 H 0.2048 0.4779 0.8091 0.044 Uiso 1 1 calc R . .
C54 C 0.1301(3) 0.3957(3) 0.5401(3) 0.0259(9) Uani 1 1 d . . .
H54 H 0.0955 0.4062 0.5755 0.031 Uiso 1 1 calc R . .
C55 C 0.0933(3) 0.3774(3) 0.4601(3) 0.0245(8) Uani 1 1 d . . .
C56 C 0.0046(3) 0.3753(3) 0.4192(3) 0.0269(9) Uani 1 1 d . . .
C57 C -0.0597(3) 0.3871(3) 0.4571(3) 0.0325(10) Uani 1 1 d . . .
H57 H -0.0490 0.3951 0.5127 0.039 Uiso 1 1 calc R . .
C58 C -0.1391(3) 0.3873(3) 0.4136(3) 0.0377(11) Uani 1 1 d . . .
H58 H -0.1837 0.3952 0.4389 0.045 Uiso 1 1 calc R . .
C59 C -0.1536(3) 0.3760(3) 0.3326(3) 0.0362(11) Uani 1 1 d . . .
H59 H -0.2076 0.3769 0.3017 0.043 Uiso 1 1 calc R . .
C60 C -0.0882(3) 0.3634(3) 0.2974(3) 0.0304(10) Uani 1 1 d . . .
H60 H -0.0980 0.3561 0.2418 0.036 Uiso 1 1 calc R . .
C61 C 0.0043(3) 0.1424(3) 0.3257(3) 0.0340(10) Uani 1 1 d . . .
H61 H 0.0245 0.1670 0.3800 0.041 Uiso 1 1 calc R . .
C62 C -0.0418(4) 0.0480(3) 0.3037(3) 0.0429(13) Uani 1 1 d . . .
H62 H -0.0528 0.0089 0.3422 0.051 Uiso 1 1 calc R . .
C63 C -0.0713(4) 0.0120(3) 0.2250(4) 0.0462(13) Uani 1 1 d . . .
H63 H -0.1028 -0.0523 0.2088 0.055 Uiso 1 1 calc R . .
C64 C -0.0548(4) 0.0703(3) 0.1696(3) 0.0398(12) Uani 1 1 d . . .
H64 H -0.0744 0.0463 0.1152 0.048 Uiso 1 1 calc R . .
C65 C -0.0091(3) 0.1640(3) 0.1946(3) 0.0308(10) Uani 1 1 d . . .
C66 C 0.0102(3) 0.2323(3) 0.1406(3) 0.0272(9) Uani 1 1 d . . .
C67 C -0.0080(3) 0.2150(3) 0.0599(3) 0.0313(10) Uani 1 1 d . . .
H67 H -0.0370 0.1538 0.0331 0.038 Uiso 1 1 calc R . .
C68 C 0.0164(3) 0.2882(3) 0.0173(3) 0.0296(9) Uani 1 1 d . . .
C69 C -0.0063(3) 0.2698(3) -0.0697(3) 0.0326(10) Uani 1 1 d . . .
C70 C 0.0320(4) 0.3370(4) -0.1139(3) 0.0471(14) Uani 1 1 d . . .
H70 H 0.0747 0.3969 -0.0889 0.057 Uiso 1 1 calc R . .
C71 C 0.0074(4) 0.3161(5) -0.1953(3) 0.0530(15) Uani 1 1 d . . .
H71 H 0.0320 0.3618 -0.2265 0.064 Uiso 1 1 calc R . .
C72 C -0.0524(4) 0.2294(5) -0.2294(3) 0.0478(15) Uani 1 1 d . . .
H72 H -0.0698 0.2133 -0.2849 0.057 Uiso 1 1 calc R . .
C73 C -0.0869(5) 0.1657(4) -0.1822(3) 0.0521(15) Uani 1 1 d . . .
H73 H -0.1277 0.1049 -0.2064 0.063 Uiso 1 1 calc R . .
C74 C 0.0605(3) 0.3769(3) 0.0585(3) 0.0283(9) Uani 1 1 d . . .
H74 H 0.0784 0.4276 0.0311 0.034 Uiso 1 1 calc R . .
C75 C 0.0782(3) 0.3911(3) 0.1396(2) 0.0257(9) Uani 1 1 d . . .
C76 C 0.1255(3) 0.4795(3) 0.1924(3) 0.0261(9) Uani 1 1 d . . .
C77 C 0.1520(3) 0.5638(3) 0.1659(3) 0.0333(10) Uani 1 1 d . . .
H77 H 0.1407 0.5664 0.1114 0.040 Uiso 1 1 calc R . .
C78 C 0.1949(4) 0.6432(3) 0.2200(3) 0.0401(12) Uani 1 1 d . . .
H78 H 0.2135 0.7011 0.2028 0.048 Uiso 1 1 calc R . .
C79 C 0.2106(4) 0.6382(3) 0.2991(3) 0.0375(11) Uani 1 1 d . . .
H79 H 0.2398 0.6922 0.3370 0.045 Uiso 1 1 calc R . .
C80 C 0.1828(3) 0.5523(3) 0.3219(3) 0.0286(9) Uani 1 1 d . . .
H80 H 0.1931 0.5487 0.3764 0.034 Uiso 1 1 calc R . .
O231 O 0.5010(3) 0.4684(3) 0.0256(3) 0.070(4) Uiso 0.402(11) 1 d PR . .
O211 O 0.2748(16) 0.8808(15) 0.0580(13) 0.101(8) Uiso 0.311(12) 1 d P . .
O221 O 0.472(2) 0.985(2) 0.062(2) 0.162(14) Uiso 0.301(13) 1 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'
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'
O O 0.0106 0.0060 '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
N2 Ru1 N5 179.12(15) . . ?
N2 Ru1 N3 78.63(15) . . ?
N5 Ru1 N3 101.45(15) . . ?
N2 Ru1 N1 79.06(14) . . ?
N5 Ru1 N1 100.87(15) . . ?
N3 Ru1 N1 157.66(15) . . ?
N2 Ru1 N6 100.16(14) . . ?
N5 Ru1 N6 78.96(15) . . ?
N3 Ru1 N6 94.39(14) . . ?
N1 Ru1 N6 90.53(14) . . ?
N2 Ru1 N4 102.26(14) . . ?
N5 Ru1 N4 78.62(15) . . ?
N3 Ru1 N4 89.28(14) . . ?
N1 Ru1 N4 94.43(14) . . ?
N6 Ru1 N4 157.57(14) . . ?
N11 Ru2 N8 175.13(15) . . ?
N11 Ru2 N7 95.89(14) . . ?
N8 Ru2 N7 79.24(14) . . ?
N11 Ru2 N10 78.82(15) . . ?
N8 Ru2 N10 101.02(14) . . ?
N7 Ru2 N10 90.71(14) . . ?
N11 Ru2 N9 106.44(15) . . ?
N8 Ru2 N9 78.44(15) . . ?
N7 Ru2 N9 157.66(14) . . ?
N10 Ru2 N9 94.35(14) . . ?
N11 Ru2 N12 78.70(14) . . ?
N8 Ru2 N12 101.57(14) . . ?
N7 Ru2 N12 93.83(14) . . ?
N10 Ru2 N12 157.41(15) . . ?
N9 Ru2 N12 89.81(14) . . ?
F3 P1 F5 177.9(2) . . ?
F3 P1 F6 90.58(19) . . ?
F5 P1 F6 90.34(17) . . ?
F3 P1 F2 92.0(2) . . ?
F5 P1 F2 89.9(2) . . ?
F6 P1 F2 91.6(2) . . ?
F3 P1 F1 89.5(2) . . ?
F5 P1 F1 89.54(19) . . ?
F6 P1 F1 179.0(2) . . ?
F2 P1 F1 89.34(19) . . ?
F3 P1 F4 89.6(2) . . ?
F5 P1 F4 88.5(2) . . ?
F6 P1 F4 89.65(19) . . ?
F2 P1 F4 178.0(2) . . ?
F1 P1 F4 89.36(19) . . ?
F81 P2 F111 157.2(9) . . ?
F81 P2 F101 59.0(8) . . ?
F111 P2 F101 102.0(5) . . ?
F81 P2 F90 102.0(7) . . ?
F111 P2 F90 60.7(5) . . ?
F101 P2 F90 83.4(4) . . ?
F81 P2 F12 90.6(6) . . ?
F111 P2 F12 104.0(5) . . ?
F101 P2 F12 93.8(3) . . ?
F90 P2 F12 163.1(5) . . ?
F81 P2 F7 105.6(7) . . ?
F111 P2 F7 92.1(4) . . ?
F101 P2 F7 164.2(4) . . ?
F90 P2 F7 97.5(4) . . ?
F12 P2 F7 89.7(2) . . ?
F81 P2 F91 78.0(6) . . ?
F111 P2 F91 89.6(5) . . ?
F101 P2 F91 87.8(4) . . ?
F90 P2 F91 31.2(4) . . ?
F12 P2 F91 165.6(4) . . ?
F7 P2 F91 85.0(3) . . ?
F81 P2 F100 87.2(8) . . ?
F111 P2 F100 76.7(5) . . ?
F101 P2 F100 29.4(3) . . ?
F90 P2 F100 83.9(5) . . ?
F12 P2 F100 85.6(4) . . ?
F7 P2 F100 166.4(4) . . ?
F91 P2 F100 102.4(4) . . ?
F81 P2 F110 168.1(7) . . ?
F111 P2 F110 23.6(5) . . ?
F101 P2 F110 112.1(5) . . ?
F90 P2 F110 83.8(5) . . ?
F12 P2 F110 81.9(4) . . ?
F7 P2 F110 83.7(4) . . ?
F91 P2 F110 110.7(4) . . ?
F100 P2 F110 83.0(5) . . ?
F81 P2 F80 25.0(7) . . ?
F111 P2 F80 168.4(5) . . ?
F101 P2 F80 83.7(4) . . ?
F90 P2 F80 110.6(5) . . ?
F12 P2 F80 85.5(3) . . ?
F7 P2 F80 81.2(3) . . ?
F91 P2 F80 80.5(4) . . ?
F100 P2 F80 111.1(5) . . ?
F110 P2 F80 160.3(5) . . ?
F18 P3 F17 90.26(18) . . ?
F18 P3 F16 89.50(17) . . ?
F17 P3 F16 90.03(17) . . ?
F18 P3 F14 90.22(18) . . ?
F17 P3 F14 179.50(19) . . ?
F16 P3 F14 89.85(16) . . ?
F18 P3 F13 91.23(19) . . ?
F17 P3 F13 89.75(18) . . ?
F16 P3 F13 179.24(19) . . ?
F14 P3 F13 90.37(18) . . ?
F18 P3 F15 179.18(19) . . ?
F17 P3 F15 89.98(16) . . ?
F16 P3 F15 89.71(16) . . ?
F14 P3 F15 89.54(16) . . ?
F13 P3 F15 89.56(18) . . ?
P41 P40 F21 106.3(7) . . ?
P41 P40 F190 121.0(8) . . ?
F21 P40 F190 131.6(9) . . ?
P41 P40 F191 78.8(7) . . ?
F21 P40 F191 170.0(8) . . ?
F190 P40 F191 42.2(6) . . ?
P41 P40 F230 83.6(7) . . ?
F21 P40 F230 98.7(7) . . ?
F190 P40 F230 96.2(8) . . ?
F191 P40 F230 90.3(7) . . ?
P41 P40 F231 59.6(4) . . ?
F21 P40 F231 102.8(6) . . ?
F190 P40 F231 109.0(7) . . ?
F191 P40 F231 87.1(6) . . ?
F230 P40 F231 24.1(5) . . ?
P41 P40 F20 59.8(4) . . ?
F21 P40 F20 93.1(5) . . ?
F190 P40 F20 101.5(6) . . ?
F191 P40 F20 81.9(6) . . ?
F230 P40 F20 143.4(7) . . ?
F231 P40 F20 119.4(5) . . ?
P41 P40 F240 40.5(5) . . ?
F21 P40 F240 146.6(7) . . ?
F190 P40 F240 80.7(7) . . ?
F191 P40 F240 38.5(6) . . ?
F230 P40 F240 83.3(6) . . ?
F231 P40 F240 66.6(4) . . ?
F20 P40 F240 68.5(4) . . ?
P41 P40 F22 31.8(4) . . ?
F21 P40 F22 74.9(5) . . ?
F190 P40 F22 152.9(7) . . ?
F191 P40 F22 110.6(6) . . ?
F230 P40 F22 82.9(6) . . ?
F231 P40 F22 62.1(3) . . ?
F20 P40 F22 66.9(3) . . ?
F240 P40 F22 72.2(4) . . ?
P40 P41 F191 61.9(6) . . ?
P40 P41 F240 115.1(7) . . ?
F191 P41 F240 53.3(6) . . ?
P40 P41 F22 128.9(5) . . ?
F191 P41 F22 169.1(5) . . ?
F240 P41 F22 115.7(6) . . ?
P40 P41 F231 89.6(5) . . ?
F191 P41 F231 92.7(5) . . ?
F240 P41 F231 89.1(5) . . ?
F22 P41 F231 86.5(3) . . ?
P40 P41 F20 89.4(5) . . ?
F191 P41 F20 87.2(4) . . ?
F240 P41 F20 91.7(5) . . ?
F22 P41 F20 93.8(3) . . ?
F231 P41 F20 178.9(4) . . ?
P40 P41 F241 148.4(6) . . ?
F191 P41 F241 86.7(5) . . ?
F240 P41 F241 33.4(5) . . ?
F22 P41 F241 82.3(5) . . ?
F231 P41 F241 87.9(5) . . ?
F20 P41 F241 93.2(4) . . ?
P40 P41 F230 62.7(6) . . ?
F191 P41 F230 78.8(6) . . ?
F240 P41 F230 98.9(6) . . ?
F22 P41 F230 104.5(5) . . ?
F231 P41 F230 27.0(4) . . ?
F20 P41 F230 152.0(5) . . ?
F241 P41 F230 109.8(6) . . ?
P40 P41 F21 41.4(5) . . ?
F191 P41 F21 102.9(5) . . ?
F240 P41 F21 156.2(6) . . ?
F22 P41 F21 88.0(3) . . ?
F231 P41 F21 93.4(3) . . ?
F20 P41 F21 85.6(3) . . ?
F241 P41 F21 170.2(5) . . ?
F230 P41 F21 74.3(5) . . ?
P40 P41 F190 33.8(5) . . ?
F191 P41 F190 28.2(4) . . ?
F240 P41 F190 81.5(6) . . ?
F22 P41 F190 162.7(4) . . ?
F231 P41 F190 92.5(4) . . ?
F20 P41 F190 86.9(4) . . ?
F241 P41 F190 114.9(5) . . ?
F230 P41 F190 69.3(5) . . ?
F21 P41 F190 74.8(4) . . ?
P41 F20 P40 30.8(2) . . ?
P40 F21 P41 32.3(4) . . ?
P41 F22 P40 19.2(2) . . ?
F81 F80 P2 49.3(13) . . ?
F80 F81 P2 105.7(16) . . ?
F80 F81 F101 168.7(19) . . ?
P2 F81 F101 65.8(8) . . ?
F91 F90 F111 131.7(11) . . ?
F91 F90 P2 81.8(9) . . ?
F111 F90 P2 55.9(5) . . ?
F90 F91 P2 67.0(8) . . ?
F101 F100 P2 65.2(8) . . ?
F100 F101 F81 137.3(12) . . ?
F100 F101 P2 85.4(9) . . ?
F81 F101 P2 55.2(6) . . ?
F111 F110 P2 53.3(12) . . ?
F110 F111 P2 103.1(15) . . ?
F110 F111 F90 161.6(17) . . ?
P2 F111 F90 63.4(5) . . ?
F191 F190 P40 73.8(9) . . ?
F191 F190 P41 48.6(8) . . ?
P40 F190 P41 25.2(4) . . ?
F190 F191 P40 64.0(9) . . ?
F190 F191 F240 167.0(14) . . ?
P40 F191 F240 103.2(9) . . ?
F190 F191 P41 103.2(11) . . ?
P40 F191 P41 39.3(4) . . ?
F240 F191 P41 64.1(7) . . ?
F231 F230 P40 103.0(13) . . ?
F231 F230 P41 69.3(10) . . ?
P40 F230 P41 33.7(4) . . ?
F230 F231 P41 83.7(11) . . ?
F230 F231 P40 53.0(10) . . ?
P41 F231 P40 30.8(2) . . ?
F241 F240 F191 146.2(15) . . ?
F241 F240 P41 83.6(11) . . ?
F191 F240 P41 62.6(6) . . ?
F241 F240 P40 108.0(12) . . ?
F191 F240 P40 38.3(6) . . ?
P41 F240 P40 24.4(3) . . ?
F240 F241 P41 63.0(10) . . ?
O211 O220 O221 135.9(15) . . ?
C1 N1 C5 118.3(4) . . ?
C1 N1 Ru1 128.0(3) . . ?
C5 N1 Ru1 113.6(3) . . ?
C15 N2 C6 120.7(4) . . ?
C15 N2 Ru1 119.8(3) . . ?
C6 N2 Ru1 119.5(3) . . ?
C20 N3 C16 119.0(4) . . ?
C20 N3 Ru1 126.6(3) . . ?
C16 N3 Ru1 114.1(3) . . ?
C21 N4 C25 118.3(4) . . ?
C21 N4 Ru1 127.6(3) . . ?
C25 N4 Ru1 114.1(3) . . ?
C26 N5 C35 120.9(4) . . ?
C26 N5 Ru1 119.9(3) . . ?
C35 N5 Ru1 119.2(3) . . ?
C40 N6 C36 118.3(4) . . ?
C40 N6 Ru1 127.8(3) . . ?
C36 N6 Ru1 113.9(3) . . ?
C41 N7 C45 118.0(4) . . ?
C41 N7 Ru2 127.9(3) . . ?
C45 N7 Ru2 114.1(3) . . ?
C46 N8 C55 121.4(4) . . ?
C46 N8 Ru2 118.7(3) . . ?
C55 N8 Ru2 119.9(3) . . ?
C60 N9 C56 118.4(4) . . ?
C60 N9 Ru2 127.1(3) . . ?
C56 N9 Ru2 114.5(3) . . ?
C61 N10 C65 118.5(4) . . ?
C61 N10 Ru2 127.3(3) . . ?
C65 N10 Ru2 114.2(3) . . ?
C75 N11 C66 120.3(4) . . ?
C75 N11 Ru2 119.5(3) . . ?
C66 N11 Ru2 119.5(3) . . ?
C80 N12 C76 118.4(4) . . ?
C80 N12 Ru2 127.6(3) . . ?
C76 N12 Ru2 113.9(3) . . ?
C9 N13 C13 118.1(5) . . ?
C29 N14 C33 118.0(5) . . ?
C49 N15 C53 117.8(4) . . ?
C69 N16 C73 117.8(5) . . ?
N1 C1 C2 122.4(4) . . ?
C3 C2 C1 119.2(4) . . ?
C2 C3 C4 119.4(5) . . ?
C5 C4 C3 119.5(4) . . ?
C4 C5 N1 121.1(4) . . ?
C4 C5 C6 123.8(4) . . ?
N1 C5 C6 115.1(4) . . ?
N2 C6 C7 120.7(4) . . ?
N2 C6 C5 112.4(4) . . ?
C7 C6 C5 126.9(4) . . ?
C6 C7 C8 120.1(4) . . ?
C14 C8 C7 118.7(4) . . ?
C14 C8 C9 122.2(4) . . ?
C7 C8 C9 119.1(4) . . ?
N13 C9 C10 122.2(4) . . ?
N13 C9 C8 116.0(4) . . ?
C10 C9 C8 121.8(4) . . ?
C9 C10 C11 118.9(5) . . ?
C10 C11 C12 119.8(5) . . ?
C13 C12 C11 118.2(5) . . ?
N13 C13 C12 122.8(5) . . ?
C15 C14 C8 119.5(4) . . ?
N2 C15 C14 120.3(4) . . ?
N2 C15 C16 111.7(4) . . ?
C14 C15 C16 128.0(4) . . ?
N3 C16 C17 120.5(4) . . ?
N3 C16 C15 115.6(4) . . ?
C17 C16 C15 123.9(4) . . ?
C18 C17 C16 119.8(5) . . ?
C19 C18 C17 119.3(5) . . ?
C20 C19 C18 119.2(5) . . ?
N3 C20 C19 122.2(5) . . ?
N4 C21 C22 122.0(4) . . ?
C21 C22 C23 119.5(4) . . ?
C24 C23 C22 119.2(4) . . ?
C23 C24 C25 119.4(5) . . ?
N4 C25 C24 121.7(4) . . ?
N4 C25 C26 115.0(4) . . ?
C24 C25 C26 123.3(4) . . ?
N5 C26 C27 120.6(4) . . ?
N5 C26 C25 112.4(4) . . ?
C27 C26 C25 127.0(4) . . ?
C26 C27 C28 119.3(4) . . ?
C34 C28 C27 119.4(4) . . ?
C34 C28 C29 121.2(4) . . ?
C27 C28 C29 119.4(4) . . ?
C30 C29 N14 122.7(5) . . ?
C30 C29 C28 117.9(5) . . ?
N14 C29 C28 119.4(5) . . ?
C29 C30 C31 119.3(5) . . ?
C30 C31 C32 121.0(6) . . ?
C31 C32 C33 118.2(5) . . ?
C32 C33 N14 120.7(6) . . ?
C35 C34 C28 118.8(4) . . ?
N5 C35 C34 121.0(4) . . ?
N5 C35 C36 112.9(4) . . ?
C34 C35 C36 126.1(4) . . ?
N6 C36 C37 121.2(4) . . ?
N6 C36 C35 115.0(4) . . ?
C37 C36 C35 123.8(4) . . ?
C38 C37 C36 119.7(4) . . ?
C37 C38 C39 119.1(4) . . ?
C38 C39 C40 119.3(5) . . ?
N6 C40 C39 122.5(4) . . ?
N7 C41 C42 122.9(4) . . ?
C41 C42 C43 119.3(4) . . ?
C42 C43 C44 118.9(4) . . ?
C45 C44 C43 119.4(4) . . ?
N7 C45 C44 121.6(4) . . ?
N7 C45 C46 114.9(4) . . ?
C44 C45 C46 123.6(4) . . ?
N8 C46 C47 120.4(4) . . ?
N8 C46 C45 113.0(4) . . ?
C47 C46 C45 126.5(4) . . ?
C46 C47 C48 120.0(4) . . ?
C54 C48 C47 117.8(4) . . ?
C54 C48 C49 120.3(4) . . ?
C47 C48 C49 121.9(4) . . ?
N15 C49 C50 121.8(4) . . ?
N15 C49 C48 115.6(4) . . ?
C50 C49 C48 122.6(4) . . ?
C51 C50 C49 119.4(5) . . ?
C52 C51 C50 118.7(5) . . ?
C53 C52 C51 118.5(5) . . ?
N15 C53 C52 123.7(5) . . ?
C55 C54 C48 120.5(4) . . ?
N8 C55 C54 119.8(4) . . ?
N8 C55 C56 112.2(4) . . ?
C54 C55 C56 127.9(4) . . ?
N9 C56 C57 121.1(4) . . ?
N9 C56 C55 115.0(4) . . ?
C57 C56 C55 124.0(4) . . ?
C58 C57 C56 119.5(5) . . ?
C57 C58 C59 119.5(5) . . ?
C60 C59 C58 118.9(5) . . ?
N9 C60 C59 122.5(5) . . ?
N10 C61 C62 122.2(5) . . ?
C63 C62 C61 119.0(5) . . ?
C62 C63 C64 119.6(5) . . ?
C63 C64 C65 119.2(5) . . ?
N10 C65 C64 121.5(4) . . ?
N10 C65 C66 114.9(4) . . ?
C64 C65 C66 123.6(4) . . ?
N11 C66 C67 120.8(4) . . ?
N11 C66 C65 112.1(4) . . ?
C67 C66 C65 127.0(4) . . ?
C66 C67 C68 119.8(4) . . ?
C74 C68 C67 118.5(4) . . ?
C74 C68 C69 121.7(4) . . ?
C67 C68 C69 119.8(4) . . ?
N16 C69 C70 121.6(5) . . ?
N16 C69 C68 116.5(4) . . ?
C70 C69 C68 121.8(5) . . ?
C69 C70 C71 119.3(5) . . ?
C72 C71 C70 119.1(6) . . ?
C71 C72 C73 118.6(5) . . ?
N16 C73 C72 123.5(6) . . ?
C75 C74 C68 119.8(4) . . ?
N11 C75 C74 120.8(4) . . ?
N11 C75 C76 112.1(4) . . ?
C74 C75 C76 127.1(4) . . ?
N12 C76 C77 121.3(4) . . ?
N12 C76 C75 115.4(4) . . ?
C77 C76 C75 123.3(4) . . ?
C78 C77 C76 119.2(4) . . ?
C77 C78 C79 119.7(4) . . ?
C78 C79 C80 118.5(4) . . ?
N12 C80 C79 122.9(4) . . ?
O231 O231 O230 153.2(6) 2_665 . ?
O220 O211 O210 132.3(16) . . ?
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 N2 1.977(4) . ?
Ru1 N5 1.980(4) . ?
Ru1 N3 2.065(4) . ?
Ru1 N1 2.069(4) . ?
Ru1 N6 2.077(4) . ?
Ru1 N4 2.079(4) . ?
Ru2 N11 1.974(4) . ?
Ru2 N8 1.985(3) . ?
Ru2 N7 2.060(4) . ?
Ru2 N10 2.070(4) . ?
Ru2 N9 2.071(4) . ?
Ru2 N12 2.077(4) . ?
P1 F3 1.581(4) . ?
P1 F5 1.592(3) . ?
P1 F6 1.594(3) . ?
P1 F2 1.595(4) . ?
P1 F1 1.605(3) . ?
P1 F4 1.611(4) . ?
P2 F81 1.398(15) . ?
P2 F111 1.441(10) . ?
P2 F101 1.554(7) . ?
P2 F90 1.557(9) . ?
P2 F12 1.568(4) . ?
P2 F7 1.593(4) . ?
P2 F91 1.674(7) . ?
P2 F100 1.705(9) . ?
P2 F110 1.751(11) . ?
P2 F80 1.775(8) . ?
P3 F18 1.598(3) . ?
P3 F17 1.598(3) . ?
P3 F16 1.599(3) . ?
P3 F14 1.601(3) . ?
P3 F13 1.601(3) . ?
P3 F15 1.611(3) . ?
P40 P41 0.938(7) . ?
P40 F21 1.159(8) . ?
P40 F190 1.223(11) . ?
P40 F191 1.307(11) . ?
P40 F230 1.500(13) . ?
P40 F231 1.831(9) . ?
P40 F20 1.833(8) . ?
P40 F240 2.053(13) . ?
P40 F22 2.215(9) . ?
P41 F191 1.454(10) . ?
P41 F240 1.472(11) . ?
P41 F22 1.502(6) . ?
P41 F231 1.579(7) . ?
P41 F20 1.585(5) . ?
P41 F241 1.643(11) . ?
P41 F230 1.678(12) . ?
P41 F21 1.683(6) . ?
P41 F190 1.886(10) . ?
F80 F81 0.778(15) . ?
F81 F101 1.459(19) . ?
F90 F91 0.877(9) . ?
F90 F111 1.517(13) . ?
F100 F101 0.839(10) . ?
F110 F111 0.720(12) . ?
F190 F191 0.915(11) . ?
F191 F240 1.313(14) . ?
F230 F231 0.766(12) . ?
F240 F241 0.910(12) . ?
O210 O211 1.56(2) . ?
O220 O211 1.43(2) . ?
O220 O221 1.73(4) . ?
O230 O231 1.616(8) . ?
N1 C1 1.338(6) . ?
N1 C5 1.386(6) . ?
N2 C15 1.359(6) . ?
N2 C6 1.360(6) . ?
N3 C20 1.356(6) . ?
N3 C16 1.367(6) . ?
N4 C21 1.348(6) . ?
N4 C25 1.370(6) . ?
N5 C26 1.349(6) . ?
N5 C35 1.362(6) . ?
N6 C40 1.336(6) . ?
N6 C36 1.383(6) . ?
N7 C41 1.352(6) . ?
N7 C45 1.373(5) . ?
N8 C46 1.350(5) . ?
N8 C55 1.352(5) . ?
N9 C60 1.348(6) . ?
N9 C56 1.372(6) . ?
N10 C61 1.351(6) . ?
N10 C65 1.371(6) . ?
N11 C75 1.358(5) . ?
N11 C66 1.358(6) . ?
N12 C80 1.342(5) . ?
N12 C76 1.365(6) . ?
N13 C9 1.346(7) . ?
N13 C13 1.353(7) . ?
N14 C29 1.356(8) . ?
N14 C33 1.382(7) . ?
N15 C49 1.340(6) . ?
N15 C53 1.340(6) . ?
N16 C69 1.339(7) . ?
N16 C73 1.347(7) . ?
C1 C2 1.395(7) . ?
C2 C3 1.371(7) . ?
C3 C4 1.389(7) . ?
C4 C5 1.382(6) . ?
C5 C6 1.468(6) . ?
C6 C7 1.370(6) . ?
C7 C8 1.401(6) . ?
C8 C14 1.395(7) . ?
C8 C9 1.487(6) . ?
C9 C10 1.373(7) . ?
C10 C11 1.380(7) . ?
C11 C12 1.381(8) . ?
C12 C13 1.371(8) . ?
C14 C15 1.392(6) . ?
C15 C16 1.468(7) . ?
C16 C17 1.391(7) . ?
C17 C18 1.384(7) . ?
C18 C19 1.383(8) . ?
C19 C20 1.375(7) . ?
C21 C22 1.384(6) . ?
C22 C23 1.385(7) . ?
C23 C24 1.376(7) . ?
C24 C25 1.386(6) . ?
C25 C26 1.480(6) . ?
C26 C27 1.387(6) . ?
C27 C28 1.400(7) . ?
C28 C34 1.399(7) . ?
C28 C29 1.486(6) . ?
C29 C30 1.340(7) . ?
C30 C31 1.356(7) . ?
C31 C32 1.377(9) . ?
C32 C33 1.381(9) . ?
C34 C35 1.383(6) . ?
C35 C36 1.466(6) . ?
C36 C37 1.383(7) . ?
C37 C38 1.378(7) . ?
C38 C39 1.385(7) . ?
C39 C40 1.385(6) . ?
C41 C42 1.371(7) . ?
C42 C43 1.381(7) . ?
C43 C44 1.398(7) . ?
C44 C45 1.376(6) . ?
C45 C46 1.474(6) . ?
C46 C47 1.383(6) . ?
C47 C48 1.403(6) . ?
C48 C54 1.398(6) . ?
C48 C49 1.487(6) . ?
C49 C50 1.392(7) . ?
C50 C51 1.385(7) . ?
C51 C52 1.378(8) . ?
C52 C53 1.375(8) . ?
C54 C55 1.386(6) . ?
C55 C56 1.475(6) . ?
C56 C57 1.388(6) . ?
C57 C58 1.377(7) . ?
C58 C59 1.385(8) . ?
C59 C60 1.381(7) . ?
C61 C62 1.390(7) . ?
C62 C63 1.379(8) . ?
C63 C64 1.387(7) . ?
C64 C65 1.388(6) . ?
C65 C66 1.479(6) . ?
C66 C67 1.379(6) . ?
C67 C68 1.404(7) . ?
C68 C74 1.392(6) . ?
C68 C69 1.485(6) . ?
C69 C70 1.382(7) . ?
C70 C71 1.391(7) . ?
C71 C72 1.358(9) . ?
C72 C73 1.371(9) . ?
C74 C75 1.384(6) . ?
C75 C76 1.472(6) . ?
C76 C77 1.397(6) . ?
C77 C78 1.381(7) . ?
C78 C79 1.382(7) . ?
C79 C80 1.391(6) . ?
O231 O231 1.417(8) 2_665 ?
