#------------------------------------------------------------------------------
#$Date: 2018-01-28 00:06:33 +0100 (dom 28 de ene de 2018) $
#$Revision: 205778 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/08/7010803.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_7010803
loop_
_publ_author_name
'Field, Leslie D.'
'Messerle, Barbara A.'
'Soler, Linnea'
'Buys, Irmi E.'
'Hambley, Trevor W.'
_publ_section_title
;
 Polypyrazolylmethane complexes of ruthenium
;
_journal_coden_ASTM              JCSDAA
_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1959
_journal_page_last               1965
_journal_paper_doi               10.1039/b103939n
_journal_year                    2001
_chemical_formula_sum            'C53 H46 Cl4 N8 O4 P2 Ru2'
_chemical_formula_weight         1264.90
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.80(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.089(3)
_cell_length_b                   10.260(2)
_cell_length_c                   33.837(7)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     5546.3(19)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan (MSC, 1992-1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
SHELXS86 (Sheldrick, 1985)
;
_diffrn_ambient_temperature      293.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      0.01719
_diffrn_orient_matrix_UB_12      0.09260
_diffrn_orient_matrix_UB_13      -0.00456
_diffrn_orient_matrix_UB_21      -0.05834
_diffrn_orient_matrix_UB_22      0.02819
_diffrn_orient_matrix_UB_23      0.00235
_diffrn_orient_matrix_UB_31      0.01486
_diffrn_orient_matrix_UB_32      0.01160
_diffrn_orient_matrix_UB_33      0.02932
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Cu Ka'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.03786
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            6449
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         56.14
_diffrn_reflns_theta_min         2.63
_diffrn_standards_decay_%        -18.58
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.890
_exptl_absorpt_correction_T_max  0.997
_exptl_absorpt_correction_T_min  0.836
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
(North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2552
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.62
_refine_diff_density_min         -1.09
_refine_ls_extinction_coef       0.00000017(1)
_refine_ls_extinction_expression 'equ(3) Acta Cryst.(1968) A24, p213.'
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_all   2.911
_refine_ls_goodness_of_fit_ref   3.186
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     644
_refine_ls_number_reflns         4865
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0450
_refine_ls_shift/su_max          0.3090
_refine_ls_shift/su_mean         0.1030
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00002|Fo|²]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0505
_refine_ls_wR_factor_ref         0.0490
_reflns_number_gt                4865
_reflns_number_total             6105
_reflns_threshold_expression     I>2.50σ(I)
_cod_data_source_file            b103939n.txt
_cod_data_source_block           compound
_cod_original_cell_volume        5546(2)
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_original_formula_sum        'C53 H46 Cl4 N8 O4 P2 Ru2 '
_cod_database_code               7010803
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
1/2-x,1/2+y,1/2-z
'   -x,   -y,   -z'
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_refinement_flags
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
Ru(1) 0.71596(4) 0.47787(6) 0.12530(2) 0.0394(2) 1.000 . Uani d ?
Ru(2) 0.52451(4) 0.43806(6) 0.14040(2) 0.0384(2) 1.000 . Uani d ?
Cl(1) 0.5928(1) 0.5917(2) 0.09497(5) 0.0469(6) 1.000 . Uani d ?
Cl(2) 0.6394(1) 0.5124(2) 0.18651(5) 0.0454(6) 1.000 . Uani d ?
Cl(3) 0.6260(1) 0.2912(2) 0.11761(5) 0.0455(6) 1.000 . Uani d ?
Cl(4) 0.3848(2) 0.0374(3) 0.3762(1) 0.118(1) 1.000 . Uani d ?
P(1) 0.7751(1) 0.4289(2) 0.06930(6) 0.0450(6) 1.000 . Uani d ?
P(2) 0.4839(1) 0.2872(2) 0.18246(6) 0.0412(6) 1.000 . Uani d ?
O(1) 0.883(1) 0.183(2) 0.9018(5) 0.163(8) 0.67(6) . Uani d ?
O(2) 0.6294(9) 0.097(2) 0.7058(5) 0.258(8) 1.00(4) . Uani d ?
O(3) 0.4408(7) 0.1740(9) 0.5838(2) 0.137(4) 1.000 . Uani d ?
O(4) 0.383(1) 0.033(1) 0.9372(6) 0.35(1) 1.000 . Uani d ?
N(1) 0.7760(4) 0.6465(6) 0.1404(2) 0.045(2) 1.000 . Uani d ?
N(2) 0.8584(4) 0.6554(7) 0.1555(2) 0.054(2) 1.000 . Uani d ?
N(3) 0.8844(4) 0.4341(7) 0.1716(2) 0.057(2) 1.000 . Uani d ?
N(4) 0.8070(4) 0.3832(7) 0.1606(2) 0.048(2) 1.000 . Uani d ?
N(5) 0.4357(4) 0.3928(6) 0.0952(2) 0.047(2) 1.000 . Uani d ?
N(6) 0.3537(4) 0.4249(7) 0.0949(2) 0.058(2) 1.000 . Uani d ?
N(7) 0.4503(4) 0.5902(6) 0.1534(2) 0.048(2) 1.000 . Uani d ?
N(8) 0.3662(5) 0.5919(7) 0.1432(2) 0.059(3) 1.000 . Uani d ?
C(1) 0.7459(6) 0.7633(9) 0.1453(2) 0.056(3) 1.000 . Uani d ?
C(2) 0.8072(7) 0.8479(9) 0.1621(3) 0.067(3) 1.000 . Uani d ?
C(3) 0.8778(6) 0.776(1) 0.1682(3) 0.068(3) 1.000 . Uani d ?
C(4) 0.9114(5) 0.547(1) 0.1519(3) 0.062(3) 1.000 . Uani d ?
C(5) 0.9291(6) 0.354(1) 0.1971(3) 0.079(4) 1.000 . Uani d ?
C(6) 0.8815(7) 0.252(1) 0.2033(3) 0.076(4) 1.000 . Uani d ?
C(7) 0.8057(5) 0.2732(8) 0.1801(2) 0.055(3) 1.000 . Uani d ?
C(8) 0.4411(6) 0.3389(9) 0.0599(3) 0.064(3) 1.000 . Uani d ?
C(9) 0.3629(8) 0.334(1) 0.0376(3) 0.085(4) 1.000 . Uani d ?
C(10) 0.3093(7) 0.390(1) 0.0601(3) 0.085(4) 1.000 . Uani d ?
C(11) 0.3229(5) 0.4762(9) 0.1299(3) 0.070(3) 1.000 . Uani d ?
C(12) 0.3343(6) 0.707(1) 0.1504(3) 0.074(4) 1.000 . Uani d ?
C(13) 0.3982(7) 0.7836(9) 0.1655(3) 0.070(4) 1.000 . Uani d ?
C(14) 0.4700(6) 0.7075(8) 0.1666(2) 0.057(3) 1.000 . Uani d ?
C(15) 0.8523(5) 0.3030(9) 0.0787(2) 0.052(3) 1.000 . Uani d ?
C(16) 0.9421 0.3336 0.0833 0.070 1.000 . Uani c ?
C(17) 0.9992(7) 0.224(1) 0.0951(3) 0.087(4) 1.000 . Uani d ?
C(18) 0.970(1) 0.105(1) 0.0998(3) 0.100(5) 1.000 . Uani d ?
C(19) 0.8841(9) 0.082(1) 0.0949(3) 0.093(5) 1.000 . Uani d ?
C(20) 0.8277(7) 0.1776(9) 0.0844(3) 0.074(4) 1.000 . Uani d ?
C(21) 0.7107(6) 0.3594(8) 0.0262(2) 0.052(3) 1.000 . Uani d ?
C(22) 0.7471(6) 0.286(1) -0.0017(3) 0.077(4) 1.000 . Uani d ?
C(23) 0.7019(8) 0.248(1) -0.0372(3) 0.094(4) 1.000 . Uani d ?
C(24) 0.6190(7) 0.279(1) -0.0442(3) 0.082(4) 1.000 . Uani d ?
C(25) 0.5821(6) 0.3521(9) -0.0170(2) 0.066(3) 1.000 . Uani d ?
C(26) 0.6283(6) 0.3923(8) 0.0180(2) 0.056(3) 1.000 . Uani d ?
C(27) 0.8236(5) 0.5580(8) 0.0430(2) 0.048(3) 1.000 . Uani d ?
C(28) 0.8781(6) 0.5332(9) 0.0143(3) 0.068(3) 1.000 . Uani d ?
C(29) 0.9061(7) 0.632(1) -0.0077(3) 0.087(4) 1.000 . Uani d ?
C(30) 0.8820(7) 0.756(1) -0.0025(3) 0.087(4) 1.000 . Uani d ?
C(31) 0.8272(7) 0.7836(9) 0.0253(3) 0.081(4) 1.000 . Uani d ?
C(32) 0.7982(6) 0.6834(9) 0.0476(2) 0.061(3) 1.000 . Uani d ?
C(33) 0.5654(5) 0.1728(7) 0.2020(2) 0.040(2) 1.000 . Uani d ?
C(34) 0.6267(5) 0.2173(8) 0.2311(2) 0.051(3) 1.000 . Uani d ?
C(35) 0.6887(5) 0.1355(8) 0.2480(2) 0.052(3) 1.000 . Uani d ?
C(36) 0.6907(6) 0.0090(9) 0.2367(2) 0.060(3) 1.000 . Uani d ?
C(37) 0.6308(6) -0.0343(9) 0.2078(3) 0.072(3) 1.000 . Uani d ?
C(38) 0.5681(6) 0.0456(8) 0.1905(2) 0.059(3) 1.000 . Uani d ?
C(39) 0.3999(5) 0.1847(7) 0.1590(2) 0.044(3) 1.000 . Uani d ?
C(40) 0.4118(5) 0.1220(7) 0.1237(2) 0.053(3) 1.000 . Uani d ?
C(41) 0.3473(7) 0.0544(9) 0.1020(3) 0.069(3) 1.000 . Uani d ?
C(42) 0.2703(7) 0.050(1) 0.1159(3) 0.082(4) 1.000 . Uani d ?
C(43) 0.2571(6) 0.111(1) 0.1504(3) 0.083(4) 1.000 . Uani d ?
C(44) 0.3213(6) 0.1775(8) 0.1728(2) 0.058(3) 1.000 . Uani d ?
C(45) 0.4478(5) 0.3358(8) 0.2299(2) 0.046(3) 1.000 . Uani d ?
C(46) 0.4254(5) 0.2423(8) 0.2564(2) 0.055(3) 1.000 . Uani d ?
C(47) 0.4009(6) 0.2758(9) 0.2928(3) 0.064(3) 1.000 . Uani d ?
C(48) 0.4009(6) 0.402(1) 0.3041(3) 0.074(4) 1.000 . Uani d ?
C(49) 0.4242(7) 0.4974(9) 0.2789(3) 0.079(4) 1.000 . Uani d ?
C(50) 0.4486(6) 0.4618(9) 0.2417(2) 0.064(3) 1.000 . Uani d ?
C(51) 0.926(2) 0.194(2) 0.933(1) 0.52(2) 1.0(1) . Uani d ?
C(52) 0.699(1) 0.073(2) 0.7305(5) 0.207(9) 1.00(5) . Uani d ?
C(53) 0.457(2) 0.013(3) 0.9764(7) 0.29(1) 1.000 . Uiso d ?
H(1) 0.6878 0.7876 0.1380 0.068 1.000 . Uiso c ?
H(2) 0.8008 0.9394 0.1682 0.081 1.000 . Uiso c ?
H(3) 0.9325 0.8058 0.1798 0.081 1.000 . Uiso c ?
H(4) 0.9118 0.5272 0.1239 0.075 1.000 . Uiso c ?
H(5) 0.9675 0.5694 0.1636 0.075 1.000 . Uiso c ?
H(6) 0.9863 0.3679 0.2089 0.094 1.000 . Uiso c ?
H(7) 0.8966 0.1785 0.2206 0.092 1.000 . Uiso c ?
H(8) 0.7582 0.2144 0.1785 0.065 1.000 . Uiso c ?
H(9) 0.4925 0.3071 0.0510 0.076 1.000 . Uiso c ?
H(10) 0.3498 0.2983 0.0111 0.102 1.000 . Uiso c ?
H(11) 0.2497 0.4021 0.0528 0.102 1.000 . Uiso c ?
H(12) 0.2638 0.4958 0.1237 0.084 1.000 . Uiso c ?
H(13) 0.3304 0.4115 0.1508 0.084 1.000 . Uiso c ?
H(14) 0.2757 0.7315 0.1457 0.088 1.000 . Uiso c ?
H(15) 0.3949 0.8736 0.1740 0.084 1.000 . Uiso c ?
H(16) 0.5263 0.7369 0.1759 0.069 1.000 . Uiso c ?
H(17) 0.9627 0.4205 0.0787 0.084 1.000 . Uiso c ?
H(18) 1.0591 0.2392 0.0995 0.105 1.000 . Uiso c ?
H(19) 1.0082 0.0341 0.1068 0.120 1.000 . Uiso c ?
H(20) 0.8640 -0.0055 0.0992 0.111 1.000 . Uiso c ?
H(21) 0.7685 0.1565 0.0808 0.089 1.000 . Uiso c ?
H(22) 0.8055 0.2610 0.0039 0.093 1.000 . Uiso c ?
H(23) 0.7289 0.2001 -0.0568 0.112 1.000 . Uiso c ?
H(24) 0.5861 0.2494 -0.0684 0.098 1.000 . Uiso c ?
H(25) 0.5234 0.3755 -0.0223 0.080 1.000 . Uiso c ?
H(26) 0.6018 0.4444 0.0369 0.067 1.000 . Uiso c ?
H(27) 0.8960 0.4446 0.0101 0.082 1.000 . Uiso c ?
H(28) 0.9438 0.6133 -0.0273 0.104 1.000 . Uiso c ?
H(29) 0.9027 0.8259 -0.0180 0.105 1.000 . Uiso c ?
H(30) 0.8093 0.8726 0.0291 0.097 1.000 . Uiso c ?
H(31) 0.7594 0.7028 0.0667 0.073 1.000 . Uiso c ?
H(32) 0.6258 0.3075 0.2397 0.061 1.000 . Uiso c ?
H(33) 0.7313 0.1685 0.2683 0.062 1.000 . Uiso c ?
H(34) 0.7339 -0.0494 0.2488 0.072 1.000 . Uiso c ?
H(35) 0.6324 -0.1243 0.1992 0.086 1.000 . Uiso c ?
H(36) 0.5260 0.0116 0.1703 0.070 1.000 . Uiso c ?
H(37) 0.4661 0.1258 0.1140 0.063 1.000 . Uiso c ?
H(38) 0.3562 0.0106 0.0775 0.083 1.000 . Uiso c ?
H(39) 0.2247 0.0030 0.1009 0.099 1.000 . Uiso c ?
H(40) 0.2020 0.1084 0.1593 0.100 1.000 . Uiso c ?
H(41) 0.3119 0.2183 0.1977 0.070 1.000 . Uiso c ?
H(42) 0.4270 0.1510 0.2491 0.066 1.000 . Uiso c ?
H(43) 0.3838 0.2086 0.3103 0.076 1.000 . Uiso c ?
H(44) 0.3844 0.4257 0.3298 0.089 1.000 . Uiso c ?
H(45) 0.4238 0.5883 0.2867 0.094 1.000 . Uiso c ?
H(46) 0.4663 0.5288 0.2243 0.077 1.000 . Uiso c ?
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 0 244 0.017 0.009
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H 0 212 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Cl 0 4 0.348 0.702
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
N 0 16 0.029 0.018
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
P 0 12 0.283 0.434
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Ru 0 4 -0.105 3.296
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O 0 4 0.047 0.032
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
1 2 8
2 2 7
3 3 2
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl(1) Ru(1) Cl(2) 80.10(6) . . . yes
Cl(1) Ru(1) Cl(3) 83.47(7) . . . yes
Cl(1) Ru(1) P(1) 98.94(7) . . . yes
Cl(1) Ru(1) N(1) 92.1(2) . . . yes
Cl(1) Ru(1) N(4) 168.5(2) . . . yes
Cl(2) Ru(1) Cl(3) 81.73(6) . . . yes
Cl(2) Ru(1) P(1) 173.99(7) . . . yes
Cl(2) Ru(1) N(1) 86.4(2) . . . yes
Cl(2) Ru(1) N(4) 88.4(2) . . . yes
Cl(3) Ru(1) P(1) 92.27(7) . . . yes
Cl(3) Ru(1) N(1) 167.9(2) . . . yes
Cl(3) Ru(1) N(4) 93.8(2) . . . yes
P(1) Ru(1) N(1) 99.5(2) . . . yes
P(1) Ru(1) N(4) 92.3(2) . . . yes
N(1) Ru(1) N(4) 88.3(3) . . . yes
Cl(1) Ru(2) Cl(2) 80.86(6) . . . yes
Cl(1) Ru(2) Cl(3) 80.61(6) . . . yes
Cl(1) Ru(2) P(2) 171.02(7) . . . yes
Cl(1) Ru(2) N(5) 90.1(2) . . . yes
Cl(1) Ru(2) N(7) 87.8(2) . . . yes
Cl(2) Ru(2) Cl(3) 84.72(7) . . . yes
Cl(2) Ru(2) P(2) 93.81(7) . . . yes
Cl(2) Ru(2) N(5) 170.9(2) . . . yes
Cl(2) Ru(2) N(7) 92.4(2) . . . yes
Cl(3) Ru(2) P(2) 91.75(7) . . . yes
Cl(3) Ru(2) N(5) 93.4(2) . . . yes
Cl(3) Ru(2) N(7) 168.4(2) . . . yes
P(2) Ru(2) N(5) 95.1(2) . . . yes
P(2) Ru(2) N(7) 99.7(2) . . . yes
N(5) Ru(2) N(7) 87.7(3) . . . yes
Ru(1) Cl(1) Ru(2) 80.49(6) . . . yes
Ru(1) Cl(2) Ru(2) 80.61(6) . . . yes
Ru(1) Cl(3) Ru(2) 83.63(6) . . . yes
Ru(1) P(1) C(15) 111.1(3) . . . yes
Ru(1) P(1) C(21) 119.8(3) . . . yes
Ru(1) P(1) C(27) 119.5(3) . . . yes
C(15) P(1) C(21) 100.1(4) . . . yes
C(15) P(1) C(27) 106.3(4) . . . yes
C(21) P(1) C(27) 97.4(4) . . . yes
Ru(2) P(2) C(33) 115.0(2) . . . yes
Ru(2) P(2) C(39) 112.2(2) . . . yes
Ru(2) P(2) C(45) 120.7(3) . . . yes
C(33) P(2) C(39) 104.6(3) . . . yes
C(33) P(2) C(45) 98.3(3) . . . yes
C(39) P(2) C(45) 103.9(4) . . . yes
C(15) O(3) C(17) 122(1) 4_455 . 4_455 yes
C(15) O(3) H(17) 118.6 4_455 . 4_455 no
C(17) O(3) H(17) 119.6 4_455 . 4_455 no
Ru(1) N(1) N(2) 124.5(5) . . . yes
Ru(1) N(1) C(1) 130.2(6) . . . yes
N(2) N(1) C(1) 104.2(6) . . . yes
N(1) N(2) C(3) 111.3(8) . . . yes
N(1) N(2) C(4) 118.9(7) . . . yes
C(3) N(2) C(4) 129.4(8) . . . yes
N(4) N(3) C(4) 120.2(7) . . . yes
N(4) N(3) C(5) 110.2(8) . . . yes
C(4) N(3) C(5) 128.9(9) . . . yes
Ru(1) N(4) N(3) 123.5(6) . . . yes
Ru(1) N(4) C(7) 131.1(6) . . . yes
N(3) N(4) C(7) 105.2(7) . . . yes
Ru(2) N(5) N(6) 123.2(5) . . . yes
Ru(2) N(5) C(8) 131.6(6) . . . yes
N(6) N(5) C(8) 105.0(7) . . . yes
N(5) N(6) C(10) 110.7(8) . . . yes
N(5) N(6) C(11) 121.0(7) . . . yes
C(10) N(6) C(11) 128.0(9) . . . yes
Ru(2) N(7) N(8) 123.1(5) . . . yes
Ru(2) N(7) C(14) 130.7(6) . . . yes
N(8) N(7) C(14) 105.5(7) . . . yes
N(7) N(8) C(11) 120.5(7) . . . yes
N(7) N(8) C(12) 111.2(8) . . . yes
C(11) N(8) C(12) 128.1(8) . . . yes
N(1) C(1) C(2) 111.9(8) . . . yes
N(1) C(1) H(1) 124.1 . . . no
C(2) C(1) H(1) 124.0 . . . no
C(1) C(2) C(3) 105.3(8) . . . yes
C(1) C(2) H(2) 127.5 . . . no
C(3) C(2) H(2) 127.3 . . . no
N(2) C(3) C(2) 107.2(8) . . . yes
N(2) C(3) H(3) 126.3 . . . no
C(2) C(3) H(3) 126.4 . . . no
N(2) C(4) N(3) 112.2(7) . . . yes
N(2) C(4) H(4) 108.7 . . . no
N(2) C(4) H(5) 108.7 . . . no
N(3) C(4) H(4) 108.8 . . . no
N(3) C(4) H(5) 108.8 . . . no
H(4) C(4) H(5) 109.6 . . . no
N(3) C(5) C(6) 108.1(9) . . . yes
N(3) C(5) H(6) 126.1 . . . no
C(6) C(5) H(6) 125.8 . . . no
C(5) C(6) C(7) 105.8(9) . . . yes
C(5) C(6) H(7) 127.1 . . . no
C(7) C(6) H(7) 127.1 . . . no
N(4) C(7) C(6) 110.8(8) . . . yes
N(4) C(7) H(8) 124.7 . . . no
C(6) C(7) H(8) 124.5 . . . no
N(5) C(8) C(9) 110.8(9) . . . yes
N(5) C(8) H(9) 124.5 . . . no
C(9) C(8) H(9) 124.7 . . . no
C(8) C(9) C(10) 106.2(9) . . . yes
C(8) C(9) H(10) 127.0 . . . no
C(10) C(9) H(10) 126.8 . . . no
N(6) C(10) C(9) 107.2(9) . . . yes
N(6) C(10) H(11) 126.2 . . . no
C(9) C(10) H(11) 126.5 . . . no
N(6) C(11) N(8) 111.2(7) . . . yes
N(6) C(11) H(12) 109.0 . . . no
N(6) C(11) H(13) 108.9 . . . no
N(8) C(11) H(12) 109.0 . . . no
N(8) C(11) H(13) 109.0 . . . no
H(12) C(11) H(13) 109.6 . . . no
N(8) C(12) C(13) 107.2(9) . . . yes
N(8) C(12) H(14) 126.3 . . . no
C(13) C(12) H(14) 126.5 . . . no
C(12) C(13) C(14) 106.1(8) . . . yes
C(12) C(13) H(15) 126.9 . . . no
C(14) C(13) H(15) 127.0 . . . no
N(7) C(14) C(13) 110.0(8) . . . yes
N(7) C(14) H(16) 125.0 . . . no
C(13) C(14) H(16) 125.0 . . . no
P(1) C(15) O(3) 124.1(8) . . 4_554 yes
P(1) C(15) C(20) 119.8(8) . . . yes
O(3) C(15) C(20) 115.9(9) 4_554 . . yes
O(3) C(17) C(18) 118(1) 4_554 . . yes
O(3) C(17) H(18) 122.7 4_554 . . no
C(18) C(17) H(18) 119.3 . . . no
C(17) C(18) C(19) 121(1) . . . yes
C(17) C(18) H(19) 119.5 . . . no
C(19) C(18) H(19) 119.9 . . . no
C(18) C(19) C(20) 122(1) . . . yes
C(18) C(19) H(20) 118.9 . . . no
C(20) C(19) H(20) 119.2 . . . no
C(15) C(20) C(19) 122(1) . . . yes
C(15) C(20) H(21) 119.2 . . . no
C(19) C(20) H(21) 119.0 . . . no
P(1) C(21) C(22) 120.6(7) . . . yes
P(1) C(21) C(26) 120.7(6) . . . yes
C(22) C(21) C(26) 118.1(8) . . . yes
C(21) C(22) C(23) 122(1) . . . yes
C(21) C(22) H(22) 119.4 . . . no
C(23) C(22) H(22) 119.1 . . . no
C(22) C(23) C(24) 119(1) . . . yes
C(22) C(23) H(23) 120.4 . . . no
C(24) C(23) H(23) 120.4 . . . no
C(23) C(24) C(25) 119.9(9) . . . yes
C(23) C(24) H(24) 120.0 . . . no
C(25) C(24) H(24) 120.1 . . . no
C(24) C(25) C(26) 120.4(9) . . . yes
C(24) C(25) H(25) 119.8 . . . no
C(26) C(25) H(25) 119.8 . . . no
C(21) C(26) C(25) 120.8(8) . . . yes
C(21) C(26) H(26) 119.6 . . . no
C(25) C(26) H(26) 119.6 . . . no
P(1) C(27) C(28) 123.0(7) . . . yes
P(1) C(27) C(32) 118.5(7) . . . yes
C(28) C(27) C(32) 117.9(8) . . . yes
C(27) C(28) C(29) 121.1(9) . . . yes
C(27) C(28) H(27) 119.5 . . . no
C(29) C(28) H(27) 119.4 . . . no
C(28) C(29) C(30) 121(1) . . . yes
C(28) C(29) H(28) 119.8 . . . no
C(30) C(29) H(28) 119.7 . . . no
C(29) C(30) C(31) 120(1) . . . yes
C(29) C(30) H(29) 120.2 . . . no
C(31) C(30) H(29) 120.0 . . . no
C(30) C(31) C(32) 120(1) . . . yes
C(30) C(31) H(30) 120.1 . . . no
C(32) C(31) H(30) 120.0 . . . no
C(27) C(32) C(31) 120.7(9) . . . yes
C(27) C(32) H(31) 119.6 . . . no
C(31) C(32) H(31) 119.7 . . . no
P(2) C(33) C(34) 117.9(6) . . . yes
P(2) C(33) C(38) 124.0(6) . . . yes
C(34) C(33) C(38) 118.1(7) . . . yes
C(33) C(34) C(35) 121.1(7) . . . yes
C(33) C(34) H(32) 119.4 . . . no
C(35) C(34) H(32) 119.5 . . . no
C(34) C(35) C(36) 120.5(8) . . . yes
C(34) C(35) H(33) 119.9 . . . no
C(36) C(35) H(33) 119.6 . . . no
C(35) C(36) C(37) 118.4(8) . . . yes
C(35) C(36) H(34) 120.9 . . . no
C(37) C(36) H(34) 120.7 . . . no
C(36) C(37) C(38) 122.0(8) . . . yes
C(36) C(37) H(35) 118.9 . . . no
C(38) C(37) H(35) 119.0 . . . no
C(33) C(38) C(37) 119.9(8) . . . yes
C(33) C(38) H(36) 120.1 . . . no
C(37) C(38) H(36) 120.0 . . . no
P(2) C(39) C(40) 118.1(6) . . . yes
P(2) C(39) C(44) 122.7(6) . . . yes
C(40) C(39) C(44) 118.8(7) . . . yes
C(39) C(40) C(41) 121.1(9) . . . yes
C(39) C(40) H(37) 119.4 . . . no
C(41) C(40) H(37) 119.4 . . . no
C(40) C(41) C(42) 119.0(9) . . . yes
C(40) C(41) H(38) 120.4 . . . no
C(42) C(41) H(38) 120.6 . . . no
C(41) C(42) C(43) 120.9(9) . . . yes
C(41) C(42) H(39) 119.5 . . . no
C(43) C(42) H(39) 119.7 . . . no
C(42) C(43) C(44) 121(1) . . . yes
C(42) C(43) H(40) 119.4 . . . no
C(44) C(43) H(40) 119.7 . . . no
C(39) C(44) C(43) 119.3(8) . . . yes
C(39) C(44) H(41) 120.4 . . . no
C(43) C(44) H(41) 120.3 . . . no
P(2) C(45) C(46) 120.7(6) . . . yes
P(2) C(45) C(50) 121.6(6) . . . yes
C(46) C(45) C(50) 117.5(7) . . . yes
C(45) C(46) C(47) 121.8(8) . . . yes
C(45) C(46) H(42) 119.1 . . . no
C(47) C(46) H(42) 119.1 . . . no
C(46) C(47) C(48) 120.1(8) . . . yes
C(46) C(47) H(43) 120.0 . . . no
C(48) C(47) H(43) 119.9 . . . no
C(47) C(48) C(49) 119.7(8) . . . yes
C(47) C(48) H(44) 120.1 . . . no
C(49) C(48) H(44) 120.1 . . . no
C(48) C(49) C(50) 119.5(9) . . . yes
C(48) C(49) H(45) 120.3 . . . no
C(50) C(49) H(45) 120.2 . . . no
C(45) C(50) C(49) 121.2(8) . . . yes
C(45) C(50) H(46) 119.4 . . . no
C(49) C(50) H(46) 119.4 . . . no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru(1) Cl(1) 2.421(2) . . yes
Ru(1) Cl(2) 2.556(2) . . yes
Ru(1) Cl(3) 2.396(2) . . yes
Ru(1) P(1) 2.275(2) . . yes
Ru(1) N(1) 2.017(6) . . yes
Ru(1) N(4) 2.026(6) . . yes
Ru(2) Cl(1) 2.541(2) . . yes
Ru(2) Cl(2) 2.398(2) . . yes
Ru(2) Cl(3) 2.414(2) . . yes
Ru(2) P(2) 2.251(2) . . yes
Ru(2) N(5) 2.020(6) . . yes
Ru(2) N(7) 2.044(6) . . yes
P(1) C(15) 1.794(9) . . yes
P(1) C(21) 1.829(8) . . yes
P(1) C(27) 1.823(8) . . yes
P(2) C(33) 1.824(7) . . yes
P(2) C(39) 1.820(8) . . yes
P(2) C(45) 1.839(7) . . yes
O(1) C(51) 1.18(4) . . yes
O(2) C(52) 1.33(2) . . yes
O(3) C(15) 1.43(1) . 4_455 yes
O(3) C(17) 1.42(1) . 4_455 yes
O(3) H(17) 1.05 . 4_455 no
O(4) C(53) 1.69(2) . . yes
N(1) N(2) 1.366(8) . . yes
N(1) C(1) 1.31(1) . . yes
N(2) C(3) 1.33(1) . . yes
N(2) C(4) 1.42(1) . . yes
N(3) N(4) 1.360(9) . . yes
N(3) C(4) 1.43(1) . . yes
N(3) C(5) 1.34(1) . . yes
N(4) C(7) 1.306(9) . . yes
N(5) N(6) 1.358(9) . . yes
N(5) C(8) 1.33(1) . . yes
N(6) C(10) 1.35(1) . . yes
N(6) C(11) 1.44(1) . . yes
N(7) N(8) 1.357(9) . . yes
N(7) C(14) 1.31(1) . . yes
N(8) C(11) 1.42(1) . . yes
N(8) C(12) 1.32(1) . . yes
C(1) C(2) 1.38(1) . . yes
C(1) H(1) 0.97 . . no
C(2) C(3) 1.35(1) . . yes
C(2) H(2) 0.97 . . no
C(3) H(3) 0.97 . . no
C(4) H(4) 0.97 . . no
C(4) H(5) 0.97 . . no
C(5) C(6) 1.33(1) . . yes
C(5) H(6) 0.97 . . no
C(6) C(7) 1.39(1) . . yes
C(6) H(7) 0.97 . . no
C(7) H(8) 0.97 . . no
C(8) C(9) 1.38(1) . . yes
C(8) H(9) 0.97 . . no
C(9) C(10) 1.34(1) . . yes
C(9) H(10) 0.97 . . no
C(10) H(11) 0.97 . . no
C(11) H(12) 0.97 . . no
C(11) H(13) 0.97 . . no
C(12) C(13) 1.34(1) . . yes
C(12) H(14) 0.97 . . no
C(13) C(14) 1.39(1) . . yes
C(13) H(15) 0.97 . . no
C(14) H(16) 0.97 . . no
C(15) C(20) 1.37(1) . . yes
C(17) C(18) 1.33(2) . . yes
C(17) H(18) 0.97 . . no
C(18) C(19) 1.39(2) . . yes
C(18) H(19) 0.97 . . no
C(19) C(20) 1.35(1) . . yes
C(19) H(20) 0.97 . . no
C(20) H(21) 0.97 . . no
C(21) C(22) 1.38(1) . . yes
C(21) C(26) 1.36(1) . . yes
C(22) C(23) 1.39(1) . . yes
C(22) H(22) 0.97 . . no
C(23) C(24) 1.36(1) . . yes
C(23) H(23) 0.97 . . no
C(24) C(25) 1.37(1) . . yes
C(24) H(24) 0.97 . . no
C(25) C(26) 1.38(1) . . yes
C(25) H(25) 0.97 . . no
C(26) H(26) 0.97 . . no
C(27) C(28) 1.40(1) . . yes
C(27) C(32) 1.37(1) . . yes
C(28) C(29) 1.37(1) . . yes
C(28) H(27) 0.97 . . no
C(29) C(30) 1.34(1) . . yes
C(29) H(28) 0.97 . . no
C(30) C(31) 1.39(1) . . yes
C(30) H(29) 0.97 . . no
C(31) C(32) 1.39(1) . . yes
C(31) H(30) 0.97 . . no
C(32) H(31) 0.97 . . no
C(33) C(34) 1.38(1) . . yes
C(33) C(38) 1.36(1) . . yes
C(34) C(35) 1.37(1) . . yes
C(34) H(32) 0.97 . . no
C(35) C(36) 1.35(1) . . yes
C(35) H(33) 0.97 . . no
C(36) C(37) 1.36(1) . . yes
C(36) H(34) 0.97 . . no
C(37) C(38) 1.37(1) . . yes
C(37) H(35) 0.97 . . no
C(38) H(36) 0.97 . . no
C(39) C(40) 1.39(1) . . yes
C(39) C(44) 1.40(1) . . yes
C(40) C(41) 1.38(1) . . yes
C(40) H(37) 0.97 . . no
C(41) C(42) 1.38(1) . . yes
C(41) H(38) 0.97 . . no
C(42) C(43) 1.36(1) . . yes
C(42) H(39) 0.97 . . no
C(43) C(44) 1.38(1) . . yes
C(43) H(40) 0.97 . . no
C(44) H(41) 0.97 . . no
C(45) C(46) 1.39(1) . . yes
C(45) C(50) 1.35(1) . . yes
C(46) C(47) 1.38(1) . . yes
C(46) H(42) 0.97 . . no
C(47) C(48) 1.35(1) . . yes
C(47) H(43) 0.97 . . no
C(48) C(49) 1.37(1) . . yes
C(48) H(44) 0.97 . . no
C(49) C(50) 1.41(1) . . yes
C(49) H(45) 0.97 . . no
C(50) H(46) 0.97 . . no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Cl(2) C(36) 3.542(9) . 2_655 no
Cl(2) C(35) 3.565(8) . 2_655 no
Cl(4) O(1) 3.00(2) . 4_454 no
Cl(4) O(2) 3.08(2) . 3_656 no
Cl(4) C(51) 3.37(3) . 4_454 no
Cl(4) C(11) 3.380(9) . 2_545 no
Cl(4) C(4) 3.522(9) . 2_645 no
P(1) O(3) 2.86(1) . 4_554 no
O(1) C(42) 3.43(2) . 3_656 no
O(1) C(48) 3.46(2) . 4 no
O(2) C(5) 3.24(2) . 4_455 no
O(3) C(17) 1.42(1) . 4_455 no
O(3) C(15) 1.43(1) . 4_455 no
O(3) C(18) 2.36(1) . 4_455 no
O(3) C(20) 2.37(1) . 4_455 no
O(3) C(19) 2.71(1) . 4_455 no
O(3) C(27) 3.24(1) . 4_455 no
O(3) C(28) 3.24(1) . 4_455 no
O(3) C(4) 3.31(1) . 4_455 no
O(3) N(3) 3.39(1) . 4_455 no
N(2) C(35) 3.44(1) . 2_655 no
N(3) C(36) 3.55(1) . 2_655 no
N(6) C(24) 3.54(1) . 3_665 no
C(2) C(37) 3.60(1) . 1_565 no
C(3) C(35) 3.46(1) . 2_655 no
C(3) C(34) 3.47(1) . 2_655 no
C(5) C(36) 3.51(1) . 2_655 no
C(8) C(25) 3.49(1) . 3_665 no
C(9) C(26) 3.39(1) . 3_665 no
C(9) C(25) 3.43(1) . 3_665 no
C(10) C(25) 3.58(1) . 3_665 no
C(13) C(41) 3.55(1) . 1_565 no
C(53) C(53) 1.99(4) . 3_657 no
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Ru(1) Cl(1) Ru(2) Cl(2) . . . . 45.89(6) no
Ru(1) Cl(1) Ru(2) Cl(3) . . . . -40.21(6) no
Ru(1) Cl(1) Ru(2) P(2) . . . . -8.2(5) no
Ru(1) Cl(1) Ru(2) N(5) . . . . -133.6(2) no
Ru(1) Cl(1) Ru(2) N(7) . . . . 138.7(2) no
Ru(1) Cl(2) Ru(2) Cl(1) . . . . -42.84(6) no
Ru(1) Cl(2) Ru(2) Cl(3) . . . . 38.48(6) no
Ru(1) Cl(2) Ru(2) P(2) . . . . 129.88(7) no
Ru(1) Cl(2) Ru(2) N(5) . . . . -40(1) no
Ru(1) Cl(2) Ru(2) N(7) . . . . -130.2(2) no
Ru(1) Cl(3) Ru(2) Cl(1) . . . . 40.35(6) no
Ru(1) Cl(3) Ru(2) Cl(2) . . . . -41.22(6) no
Ru(1) Cl(3) Ru(2) P(2) . . . . -134.89(7) no
Ru(1) Cl(3) Ru(2) N(5) . . . . 129.9(2) no
Ru(1) Cl(3) Ru(2) N(7) . . . . 35(1) no
Ru(1) P(1) C(15) O(3) . . . 4_554 -102.6(7) no
Ru(1) P(1) C(15) C(20) . . . . 72.3(8) no
Ru(1) P(1) C(21) C(22) . . . . -156.2(7) no
Ru(1) P(1) C(21) C(26) . . . . 32.3(8) no
Ru(1) P(1) C(27) C(28) . . . . 164.4(6) no
Ru(1) P(1) C(27) C(32) . . . . -24.0(8) no
Ru(1) N(1) N(2) C(3) . . . . -170.6(5) no
Ru(1) N(1) N(2) C(4) . . . . 15.8(9) no
Ru(1) N(1) C(1) C(2) . . . . 169.8(6) no
Ru(1) N(4) N(3) C(4) . . . . -13.1(9) no
Ru(1) N(4) N(3) C(5) . . . . 175.7(6) no
Ru(1) N(4) C(7) C(6) . . . . -174.7(6) no
Ru(2) Cl(1) Ru(1) Cl(2) . . . . -42.46(5) no
Ru(2) Cl(1) Ru(1) Cl(3) . . . . 40.24(5) no
Ru(2) Cl(1) Ru(1) P(1) . . . . 131.52(6) no
Ru(2) Cl(1) Ru(1) N(1) . . . . -128.5(2) no
Ru(2) Cl(1) Ru(1) N(4) . . . . -37(1) no
Ru(2) Cl(2) Ru(1) Cl(1) . . . . 45.64(6) no
Ru(2) Cl(2) Ru(1) Cl(3) . . . . -39.11(6) no
Ru(2) Cl(2) Ru(1) P(1) . . . . -35.7(7) no
Ru(2) Cl(2) Ru(1) N(1) . . . . 138.4(2) no
Ru(2) Cl(2) Ru(1) N(4) . . . . -133.2(2) no
Ru(2) Cl(3) Ru(1) Cl(1) . . . . -42.43(6) no
Ru(2) Cl(3) Ru(1) Cl(2) . . . . 38.47(6) no
Ru(2) Cl(3) Ru(1) P(1) . . . . -141.18(7) no
Ru(2) Cl(3) Ru(1) N(1) . . . . 26.5(9) no
Ru(2) Cl(3) Ru(1) N(4) . . . . 126.3(2) no
Ru(2) P(2) C(33) C(34) . . . . 74.8(6) no
Ru(2) P(2) C(33) C(38) . . . . -107.1(7) no
Ru(2) P(2) C(39) C(40) . . . . 53.7(7) no
Ru(2) P(2) C(39) C(44) . . . . -119.5(6) no
Ru(2) P(2) C(45) C(46) . . . . -177.9(6) no
Ru(2) P(2) C(45) C(50) . . . . -3.4(9) no
Ru(2) N(5) N(6) C(10) . . . . 176.3(6) no
Ru(2) N(5) N(6) C(11) . . . . -10(1) no
Ru(2) N(5) C(8) C(9) . . . . -176.3(6) no
Ru(2) N(7) N(8) C(11) . . . . 13(1) no
Ru(2) N(7) N(8) C(12) . . . . -172.1(6) no
Ru(2) N(7) C(14) C(13) . . . . 171.4(6) no
Cl(1) Ru(1) P(1) C(15) . . . . -163.0(3) no
Cl(1) Ru(1) P(1) C(21) . . . . -47.0(3) no
Cl(1) Ru(1) P(1) C(27) . . . . 72.6(3) no
Cl(1) Ru(1) N(1) N(2) . . . . -171.4(5) no
Cl(1) Ru(1) N(1) C(1) . . . . 22.4(7) no
Cl(1) Ru(1) N(4) N(3) . . . . -114(1) no
Cl(1) Ru(1) N(4) C(7) . . . . 60(1) no
Cl(1) Ru(2) P(2) C(33) . . . . -1.3(6) no
Cl(1) Ru(2) P(2) C(39) . . . . -120.6(5) no
Cl(1) Ru(2) P(2) C(45) . . . . 116.3(5) no
Cl(1) Ru(2) N(5) N(6) . . . . -113.6(6) no
Cl(1) Ru(2) N(5) C(8) . . . . 60.8(7) no
Cl(1) Ru(2) N(7) N(8) . . . . 114.6(6) no
Cl(1) Ru(2) N(7) C(14) . . . . -54.3(7) no
Cl(2) Ru(1) P(1) C(15) . . . . -82.7(8) no
Cl(2) Ru(1) P(1) C(21) . . . . 33.3(8) no
Cl(2) Ru(1) P(1) C(27) . . . . 153.0(7) no
Cl(2) Ru(1) N(1) N(2) . . . . 108.6(5) no
Cl(2) Ru(1) N(1) C(1) . . . . -57.6(7) no
Cl(2) Ru(1) N(4) N(3) . . . . -107.7(5) no
Cl(2) Ru(1) N(4) C(7) . . . . 65.9(7) no
Cl(2) Ru(2) P(2) C(33) . . . . -54.5(3) no
Cl(2) Ru(2) P(2) C(39) . . . . -173.9(3) no
Cl(2) Ru(2) P(2) C(45) . . . . 63.0(3) no
Cl(2) Ru(2) N(5) N(6) . . . . -117(1) no
Cl(2) Ru(2) N(5) C(8) . . . . 58(2) no
Cl(2) Ru(2) N(7) N(8) . . . . -164.7(6) no
Cl(2) Ru(2) N(7) C(14) . . . . 26.5(7) no
Cl(3) Ru(1) P(1) C(15) . . . . -79.3(3) no
Cl(3) Ru(1) P(1) C(21) . . . . 36.7(3) no
Cl(3) Ru(1) P(1) C(27) . . . . 156.3(3) no
Cl(3) Ru(1) N(1) N(2) . . . . 120.4(9) no
Cl(3) Ru(1) N(1) C(1) . . . . -46(1) no
Cl(3) Ru(1) N(4) N(3) . . . . 170.7(5) no
Cl(3) Ru(1) N(4) C(7) . . . . -15.7(7) no
Cl(3) Ru(2) P(2) C(33) . . . . 30.3(3) no
Cl(3) Ru(2) P(2) C(39) . . . . -89.1(3) no
Cl(3) Ru(2) P(2) C(45) . . . . 147.9(3) no
Cl(3) Ru(2) N(5) N(6) . . . . 165.8(6) no
Cl(3) Ru(2) N(5) C(8) . . . . -19.8(7) no
Cl(3) Ru(2) N(7) N(8) . . . . 120.0(9) no
Cl(3) Ru(2) N(7) C(14) . . . . -49(1) no
P(1) Ru(1) N(1) N(2) . . . . -72.0(5) no
P(1) Ru(1) N(1) C(1) . . . . 121.8(7) no
P(1) Ru(1) N(4) N(3) . . . . 78.2(5) no
P(1) Ru(1) N(4) C(7) . . . . -108.1(7) no
P(1) C(15) O(3) C(17) . . 4_554 . 173.7(7) no
P(1) C(15) C(20) C(19) . . . . -174.3(8) no
P(1) C(21) C(22) C(23) . . . . -170.8(9) no
P(1) C(21) C(26) C(25) . . . . 172.4(7) no
P(1) C(27) C(28) C(29) . . . . 172.9(8) no
P(1) C(27) C(32) C(31) . . . . -173.7(7) no
P(2) Ru(2) N(5) N(6) . . . . 73.7(6) no
P(2) Ru(2) N(5) C(8) . . . . -111.8(7) no
P(2) Ru(2) N(7) N(8) . . . . -70.4(6) no
P(2) Ru(2) N(7) C(14) . . . . 120.8(7) no
P(2) C(33) C(34) C(35) . . . . 178.1(6) no
P(2) C(33) C(38) C(37) . . . . -178.3(7) no
P(2) C(39) C(40) C(41) . . . . -172.8(6) no
P(2) C(39) C(44) C(43) . . . . 171.4(7) no
P(2) C(45) C(46) C(47) . . . . 177.7(7) no
P(2) C(45) C(50) C(49) . . . . -177.2(7) no
N(1) Ru(1) P(1) C(15) . . . . 103.3(4) no
N(1) Ru(1) P(1) C(21) . . . . -140.7(4) no
N(1) Ru(1) P(1) C(27) . . . . -21.1(4) no
N(1) Ru(1) N(4) N(3) . . . . -21.2(6) no
N(1) Ru(1) N(4) C(7) . . . . 152.4(7) no
N(1) N(2) C(3) C(2) . . . . 1(1) no
N(1) N(2) C(4) N(3) . . . . -60.5(9) no
N(1) C(1) C(2) C(3) . . . . -1(1) no
N(2) N(1) Ru(1) N(4) . . . . 20.1(5) no
N(2) N(1) C(1) C(2) . . . . 1.5(9) no
N(2) C(3) C(2) C(1) . . . . 0(1) no
N(2) C(4) N(3) N(4) . . . . 59.4(9) no
N(2) C(4) N(3) C(5) . . . . -131.3(9) no
N(3) N(4) C(7) C(6) . . . . -0.2(9) no
N(3) C(4) N(2) C(3) . . . . 127.2(9) no
N(3) C(5) C(6) C(7) . . . . 1(1) no
N(4) Ru(1) P(1) C(15) . . . . 14.6(4) no
N(4) Ru(1) P(1) C(21) . . . . 130.6(4) no
N(4) Ru(1) P(1) C(27) . . . . -109.8(4) no
N(4) Ru(1) N(1) C(1) . . . . -146.1(7) no
N(4) N(3) C(5) C(6) . . . . -1(1) no
N(4) C(7) C(6) C(5) . . . . 0(1) no
N(5) Ru(2) P(2) C(33) . . . . 123.9(3) no
N(5) Ru(2) P(2) C(39) . . . . 4.5(4) no
N(5) Ru(2) P(2) C(45) . . . . -118.6(4) no
N(5) Ru(2) N(7) N(8) . . . . 24.4(6) no
N(5) Ru(2) N(7) C(14) . . . . -144.5(7) no
N(5) N(6) C(10) C(9) . . . . 0(1) no
N(5) N(6) C(11) N(8) . . . . 58(1) no
N(5) C(8) C(9) C(10) . . . . 1(1) no
N(6) N(5) Ru(2) N(7) . . . . -25.8(6) no
N(6) N(5) C(8) C(9) . . . . -1(1) no
N(6) C(10) C(9) C(8) . . . . -1(1) no
N(6) C(11) N(8) N(7) . . . . -59(1) no
N(6) C(11) N(8) C(12) . . . . 126.6(9) no
N(7) Ru(2) P(2) C(33) . . . . -147.6(3) no
N(7) Ru(2) P(2) C(39) . . . . 93.0(4) no
N(7) Ru(2) P(2) C(45) . . . . -30.1(4) no
N(7) Ru(2) N(5) C(8) . . . . 148.6(7) no
N(7) N(8) C(12) C(13) . . . . 0(1) no
N(7) C(14) C(13) C(12) . . . . -1(1) no
N(8) N(7) C(14) C(13) . . . . 1.1(9) no
N(8) C(11) N(6) C(10) . . . . -129.2(9) no
N(8) C(12) C(13) C(14) . . . . 0(1) no
C(1) N(1) N(2) C(3) . . . . -1.4(9) no
C(1) N(1) N(2) C(4) . . . . -175.1(7) no
C(2) C(3) N(2) C(4) . . . . 173.6(8) no
C(4) N(3) N(4) C(7) . . . . 171.9(7) no
C(4) N(3) C(5) C(6) . . . . -171.2(8) no
C(5) N(3) N(4) C(7) . . . . 0.7(9) no
C(8) N(5) N(6) C(10) . . . . 0.6(9) no
C(8) N(5) N(6) C(11) . . . . 174.8(7) no
C(9) C(10) N(6) C(11) . . . . -173.6(9) no
C(11) N(8) N(7) C(14) . . . . -175.9(8) no
C(11) N(8) C(12) C(13) . . . . 174.8(9) no
C(12) N(8) N(7) C(14) . . . . -0.8(9) no
C(15) P(1) C(21) C(22) . . . . -34.6(8) no
C(15) P(1) C(21) C(26) . . . . 153.9(7) no
C(15) P(1) C(27) C(28) . . . . 37.8(8) no
C(15) P(1) C(27) C(32) . . . . -150.6(7) no
C(15) O(3) C(17) C(18) . 4_554 . . 2(2) no
C(15) C(20) C(19) C(18) . . . . -1(2) no
C(17) O(3) C(15) C(20) . 4_554 . . -1(1) no
C(17) C(18) C(19) C(20) . . . . 1(2) no
C(20) C(15) P(1) C(21) . . . . -55.3(8) no
C(20) C(15) P(1) C(27) . . . . -156.2(7) no
C(21) P(1) C(27) C(28) . . . . -65.1(8) no
C(21) P(1) C(27) C(32) . . . . 106.5(7) no
C(21) C(22) C(23) C(24) . . . . -3(2) no
C(21) C(26) C(25) C(24) . . . . -1(1) no
C(22) C(21) P(1) C(27) . . . . 73.5(8) no
C(22) C(21) C(26) C(25) . . . . 1(1) no
C(22) C(23) C(24) C(25) . . . . 3(2) no
C(23) C(22) C(21) C(26) . . . . 1(2) no
C(23) C(24) C(25) C(26) . . . . -1(2) no
C(26) C(21) P(1) C(27) . . . . -98.0(8) no
C(27) C(28) C(29) C(30) . . . . 0(2) no
C(27) C(32) C(31) C(30) . . . . 1(2) no
C(28) C(27) C(32) C(31) . . . . -2(1) no
C(28) C(29) C(30) C(31) . . . . -1(2) no
C(29) C(28) C(27) C(32) . . . . 1(1) no
C(29) C(30) C(31) C(32) . . . . 0(2) no
C(33) P(2) C(39) C(40) . . . . -71.6(7) no
C(33) P(2) C(39) C(44) . . . . 115.2(7) no
C(33) P(2) C(45) C(46) . . . . -52.2(7) no
C(33) P(2) C(45) C(50) . . . . 122.3(8) no
C(33) C(34) C(35) C(36) . . . . 0(1) no
C(33) C(38) C(37) C(36) . . . . 1(2) no
C(34) C(33) P(2) C(39) . . . . -161.6(6) no
C(34) C(33) P(2) C(45) . . . . -54.8(7) no
C(34) C(33) C(38) C(37) . . . . 0(1) no
C(34) C(35) C(36) C(37) . . . . 1(1) no
C(35) C(34) C(33) C(38) . . . . 0(1) no
C(35) C(36) C(37) C(38) . . . . -1(2) no
C(38) C(33) P(2) C(39) . . . . 16.4(8) no
C(38) C(33) P(2) C(45) . . . . 123.2(7) no
C(39) P(2) C(45) C(46) . . . . 55.1(8) no
C(39) P(2) C(45) C(50) . . . . -130.3(8) no
C(39) C(40) C(41) C(42) . . . . 0(1) no
C(39) C(44) C(43) C(42) . . . . 2(2) no
C(40) C(39) P(2) C(45) . . . . -174.2(6) no
C(40) C(39) C(44) C(43) . . . . -2(1) no
C(40) C(41) C(42) C(43) . . . . 0(2) no
C(41) C(40) C(39) C(44) . . . . 1(1) no
C(41) C(42) C(43) C(44) . . . . -1(2) no
C(44) C(39) P(2) C(45) . . . . 12.6(8) no
C(45) C(46) C(47) C(48) . . . . -2(2) no
C(45) C(50) C(49) C(48) . . . . 1(2) no
C(46) C(45) C(50) C(49) . . . . -2(1) no
C(46) C(47) C(48) C(49) . . . . 1(2) no
C(47) C(46) C(45) C(50) . . . . 3(1) no
C(47) C(48) C(49) C(50) . . . . -1(2) no
