#------------------------------------------------------------------------------
#$Date: 2022-11-07 07:03:36 +0200 (Mon, 07 Nov 2022) $
#$Revision: 278957 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/75/1567564.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_1567564
loop_
_publ_author_name
'Gong, Huihua'
'Cui, Tianhua'
'Liu, Zheyuan'
'Zheng, Yanling'
'Zheng, Xueli'
'Fu, Haiyan'
'Yuan, Maolin'
'Chen, Hua'
'Xu, Jiaqi'
'Li, Ruixiang'
_publ_section_title
;
 Nitrogen--nitrogen-functionalized N-heterocyclic carbene ruthenium(ii)
 complexes realized efficient CO2 hydrogenation to formate
;
_journal_issue                   20
_journal_name_full               'Catalysis Science & Technology'
_journal_page_first              6213
_journal_page_last               6218
_journal_paper_doi               10.1039/D2CY00741J
_journal_volume                  12
_journal_year                    2022
_chemical_formula_moiety         'Cl, C31 H32 N4 O P Ru'
_chemical_formula_sum            'C31 H32 Cl N4 O P Ru'
_chemical_formula_weight         644.09
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_audit_creation_date             2019-11-06
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-12-02 deposited with the CCDC.	2022-09-02 downloaded from the CCDC.
;
_cell_angle_alpha                106.120(4)
_cell_angle_beta                 103.920(3)
_cell_angle_gamma                103.786(3)
_cell_formula_units_Z            8
_cell_length_a                   17.5755(6)
_cell_length_b                   19.7613(8)
_cell_length_c                   21.9822(9)
_cell_measurement_reflns_used    12936
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.0520
_cell_measurement_theta_min      3.3030
_cell_volume                     6727.3(5)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      293.15
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0874
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -82.00  11.60   0.60   50.00    --  -14.81 -77.00 -90.00  156
  2  ω    -18.00  24.00   0.60   50.00    --  -14.81 -99.00 150.00   70
  3  ω    -42.00  50.40   0.60   50.00    --  -14.81  77.00  30.00  154
  4  ω    -46.00  35.60   0.60   50.00    --   17.00 -19.00 150.00  136
  5  ω     -2.00  85.60   0.60   50.00    --   17.00  38.00-180.00  146
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0214583000
_diffrn_orient_matrix_UB_12      0.0029467000
_diffrn_orient_matrix_UB_13      -0.0304037000
_diffrn_orient_matrix_UB_21      0.0229381000
_diffrn_orient_matrix_UB_22      -0.0189063000
_diffrn_orient_matrix_UB_23      -0.0166619000
_diffrn_orient_matrix_UB_31      -0.0308127000
_diffrn_orient_matrix_UB_32      -0.0346005000
_diffrn_orient_matrix_UB_33      -0.0079269000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0409
_diffrn_reflns_av_unetI/netI     0.0694
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            57446
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         2.938
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.620
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91906
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_F_000             2640
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.05
_refine_diff_density_max         5.545
_refine_diff_density_min         -1.051
_refine_diff_density_rms         0.155
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1377
_refine_ls_number_reflns         27454
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.1274
_refine_ls_R_factor_gt           0.0962
_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)+(0.1374P)²+43.2432P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2659
_refine_ls_wR_factor_ref         0.2852
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18177
_reflns_number_total             27454
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cy00741j2.cif
_cod_data_source_block           191105_s3_ghh
_cod_depositor_comments
'Adding full bibliography for 1567562--1567564.cif.'
_cod_original_cell_volume        6727.2(5)
_cod_database_code               1567564
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         c12h12n2o3p1c
_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_max   0.970
_shelx_estimated_absorpt_t_min   0.812
_reflns_odcompleteness_completeness 99.84
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C29B) = Uanis(C28B) = Uanis(C27B)
Uanis(C14C) = Uanis(C15C) = Uanis(C17C) = Uanis(C16C) = Uanis(C18C) =
Uanis(C20C)
Uanis(C10A) = Uanis(C9A)
3.a Ternary CH refined with riding coordinates:
 N3A(H3A), N3D(H3D), N3C(H3C), N3B(H3B)
3.b Secondary CH2 refined with riding coordinates:
 C5A(H5AA,H5AB), C6A(H6AA,H6AB), C7A(H7AA,H7AB), C5D(H5DA,H5DB), C6D(H6DA,
 H6DB), C7D(H7DA,H7DB), C5C(H5CA,H5CB), C6C(H6CA,H6CB), C7C(H7CA,H7CB),
 C5B(H5BA,H5BB), C6B(H6BA,H6BB), C7B(H7BA,H7BB)
3.c Aromatic/amide H refined with riding coordinates:
 C2A(H2A), C3A(H3AA), C9A(H9A), C10A(H10A), C11A(H11A), C12A(H12A), C14A(H14A),
  C15A(H15A), C16A(H16A), C17A(H17A), C18A(H18A), C20A(H20A), C21A(H21A),
 C22A(H22A), C23A(H23A), C24A(H24A), C26A(H26A), C27A(H27A), C28A(H28A),
 C29A(H29A), C30A(H30A), C2D(H2D), C3D(H3DA), C9D(H9D), C10D(H10D), C11D(H11D),
 C12D(H12D), C14D(H14D), C15D(H15D), C16D(H16D), C17D(H17D), C18D(H18D),
 C20D(H20D), C21D(H21D), C22D(H22D), C23D(H23D), C24D(H24D), C26D(H26D),
 C27D(H27D), C28D(H28D), C29D(H29D), C30D(H30D), C2C(H2C), C3C(H3CA), C9C(H9C),
 C10C(H10C), C11C(H11C), C12C(H12C), C14C(H14C), C15C(H15C), C16C(H16C),
 C17C(H17C), C18C(H18C), C20C(H20C), C21C(H21C), C22C(H22C), C23C(H23C),
 C24C(H24C), C26C(H26C), C27C(H27C), C28C(H28C), C29C(H29C), C30C(H30C),
 C2B(H2B), C3B(H3BA), C9B(H9B), C10B(H10B), C11B(H11B), C12B(H12B), C14B(H14B),
 C15B(H15B), C16B(H16B), C17B(H17B), C18B(H18B), C20B(H20B), C21B(H21B),
 C22B(H22B), C23B(H23B), C24B(H24B), C26B(H26B), C27B(H27B), C28B(H28B),
 C29B(H29B), C30B(H30B)
3.d Idealised Me refined as rotating group:
 C4A(H4AA,H4AB,H4AC), C4D(H4DA,H4DB,H4DC), C4C(H4CA,H4CB,H4CC), C4B(H4BA,H4BB,
 H4BC)
;
_olex2_date_sample_data_collection 2019-11-05
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.066
_oxdiff_exptl_absorpt_empirical_full_min 0.944
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.5305(2) 1.14363(16) 0.33896(17) 0.0807(9) Uani 1 1 d . . . . .
Cl2 Cl 0.06354(15) 0.79116(12) 0.36806(12) 0.0521(5) Uani 1 1 d . . . . .
Cl3 Cl 0.33299(16) 0.60970(13) 0.37570(12) 0.0543(6) Uani 1 1 d . . . . .
Cl4 Cl 0.8378(2) 1.23112(18) 0.34517(16) 0.0803(9) Uani 1 1 d . . . . .
Ru1A Ru 0.96926(4) 1.03388(4) 0.31146(3) 0.03290(16) Uani 1 1 d . . . . .
H H 1.041(4) 1.005(4) 0.305(3) 0.016(16) Uiso 1 1 d . . . . .
P1A P 0.93247(13) 1.00093(12) 0.19480(9) 0.0344(4) Uani 1 1 d . . . . .
O1A O 1.0787(5) 1.1855(4) 0.3320(4) 0.077(2) Uani 1 1 d . . . . .
N1A N 1.0807(5) 1.0445(4) 0.4523(3) 0.0480(18) Uani 1 1 d . . . . .
N2A N 0.9983(5) 1.1065(4) 0.4611(3) 0.0438(16) Uani 1 1 d . . . . .
N3A N 0.8562(4) 1.0588(4) 0.3275(3) 0.0387(15) Uani 1 1 d . . . . .
H3A H 0.8511 1.0996 0.3113 0.046 Uiso 1 1 calc R . . . .
N4A N 0.8857(4) 0.9285(4) 0.3004(3) 0.0396(15) Uani 1 1 d . . . . .
C1A C 1.0178(5) 1.0615(5) 0.4154(4) 0.043(2) Uani 1 1 d . . . . .
C2A C 1.0959(7) 1.0805(6) 0.5207(4) 0.059(3) Uani 1 1 d . . . . .
H2A H 1.1354 1.0780 0.5560 0.071 Uiso 1 1 calc R . . . .
C3A C 1.0435(7) 1.1190(6) 0.5259(4) 0.057(3) Uani 1 1 d . . . . .
H3AA H 1.0387 1.1482 0.5651 0.069 Uiso 1 1 calc R . . . .
C4A C 1.1271(7) 0.9985(6) 0.4271(5) 0.066(3) Uani 1 1 d . . . . .
H4AA H 1.0922 0.9602 0.3851 0.099 Uiso 1 1 calc GR . . . .
H4AB H 1.1460 0.9760 0.4588 0.099 Uiso 1 1 calc GR . . . .
H4AC H 1.1740 1.0287 0.4208 0.099 Uiso 1 1 calc GR . . . .
C5A C 0.9319(6) 1.1389(5) 0.4457(4) 0.047(2) Uani 1 1 d . . . . .
H5AA H 0.9494 1.1768 0.4271 0.056 Uiso 1 1 calc R . . . .
H5AB H 0.9223 1.1628 0.4867 0.056 Uiso 1 1 calc R . . . .
C6A C 0.8526(6) 1.0808(5) 0.3966(4) 0.046(2) Uani 1 1 d . . . . .
H6AA H 0.8422 1.0372 0.4096 0.056 Uiso 1 1 calc R . . . .
H6AB H 0.8069 1.1001 0.3979 0.056 Uiso 1 1 calc R . . . .
C7A C 0.7848(5) 0.9920(6) 0.2829(5) 0.053(2) Uani 1 1 d . . . . .
H7AA H 0.7736 0.9893 0.2367 0.064 Uiso 1 1 calc R . . . .
H7AB H 0.7357 0.9941 0.2951 0.064 Uiso 1 1 calc R . . . .
C8A C 0.8062(6) 0.9241(5) 0.2905(4) 0.052(2) Uani 1 1 d . . . . .
C9A C 0.7473(6) 0.8612(5) 0.2852(4) 0.0492(15) Uani 1 1 d . . . . .
H9A H 0.6910 0.8555 0.2721 0.059 Uiso 1 1 calc R . . . .
C10A C 0.7749(6) 0.8097(5) 0.2999(4) 0.0492(15) Uani 1 1 d . . . . .
H10A H 0.7418 0.7754 0.3123 0.059 Uiso 1 1 calc R . . . .
C11A C 0.8487(9) 0.8046(6) 0.2977(6) 0.080(4) Uani 1 1 d . . . . .
H11A H 0.8603 0.7603 0.2933 0.096 Uiso 1 1 calc R . . . .
C12A C 0.9060(8) 0.8674(5) 0.3023(4) 0.059(3) Uani 1 1 d . . . . .
H12A H 0.9602 0.8682 0.3068 0.071 Uiso 1 1 calc R . . . .
C13A C 1.0189(5) 1.0072(5) 0.1606(4) 0.0362(17) Uani 1 1 d . . . . .
C14A C 1.1019(6) 1.0439(5) 0.2000(4) 0.048(2) Uani 1 1 d . . . . .
H14A H 1.1146 1.0642 0.2462 0.057 Uiso 1 1 calc R . . . .
C15A C 1.1621(6) 1.0513(6) 0.1754(5) 0.059(3) Uani 1 1 d . . . . .
H15A H 1.2165 1.0760 0.2040 0.071 Uiso 1 1 calc R . . . .
C16A C 1.1457(7) 1.0223(6) 0.1064(6) 0.065(3) Uani 1 1 d . . . . .
H16A H 1.1880 1.0309 0.0881 0.078 Uiso 1 1 calc R . . . .
C17A C 1.0660(7) 0.9810(7) 0.0662(5) 0.071(3) Uani 1 1 d . . . . .
H17A H 1.0551 0.9570 0.0207 0.085 Uiso 1 1 calc R . . . .
C18A C 1.0029(6) 0.9744(6) 0.0913(4) 0.059(3) Uani 1 1 d . . . . .
H18A H 0.9487 0.9482 0.0628 0.071 Uiso 1 1 calc R . . . .
C19A C 0.8775(5) 1.0554(5) 0.1556(4) 0.0406(18) Uani 1 1 d . . . . .
C20A C 0.8750(6) 1.1203(6) 0.1954(5) 0.052(2) Uani 1 1 d . . . . .
H20A H 0.9005 1.1360 0.2415 0.063 Uiso 1 1 calc R . . . .
C21A C 0.8357(7) 1.1643(6) 0.1697(6) 0.063(3) Uani 1 1 d . . . . .
H21A H 0.8355 1.2088 0.1985 0.075 Uiso 1 1 calc R . . . .
C22A C 0.7970(8) 1.1425(7) 0.1020(7) 0.075(3) Uani 1 1 d . . . . .
H22A H 0.7706 1.1715 0.0840 0.090 Uiso 1 1 calc R . . . .
C23A C 0.7987(8) 1.0767(8) 0.0620(6) 0.076(3) Uani 1 1 d . . . . .
H23A H 0.7725 1.0607 0.0159 0.091 Uiso 1 1 calc R . . . .
C24A C 0.8385(6) 1.0327(6) 0.0878(5) 0.057(2) Uani 1 1 d . . . . .
H24A H 0.8386 0.9881 0.0593 0.069 Uiso 1 1 calc R . . . .
C25A C 0.8652(5) 0.9046(5) 0.1462(4) 0.0427(19) Uani 1 1 d . . . . .
C26A C 0.8991(8) 0.8473(6) 0.1395(5) 0.070(3) Uani 1 1 d . . . . .
H26A H 0.9557 0.8582 0.1597 0.085 Uiso 1 1 calc R . . . .
C27A C 0.8498(10) 0.7746(7) 0.1032(7) 0.089(4) Uani 1 1 d . . . . .
H27A H 0.8733 0.7368 0.0994 0.107 Uiso 1 1 calc R . . . .
C28A C 0.7693(10) 0.7578(7) 0.0737(6) 0.085(4) Uani 1 1 d . . . . .
H28A H 0.7373 0.7085 0.0477 0.103 Uiso 1 1 calc R . . . .
C29A C 0.7324(8) 0.8113(7) 0.0807(5) 0.078(4) Uani 1 1 d . . . . .
H29A H 0.6756 0.7985 0.0601 0.094 Uiso 1 1 calc R . . . .
C30A C 0.7801(6) 0.8859(5) 0.1191(5) 0.054(2) Uani 1 1 d . . . . .
H30A H 0.7548 0.9223 0.1263 0.065 Uiso 1 1 calc R . . . .
C31A C 1.0373(6) 1.1275(5) 0.3237(4) 0.046(2) Uani 1 1 d . . . . .
Ru1D Ru 0.37673(4) 0.32187(3) 0.30896(3) 0.03477(17) Uani 1 1 d . . . . .
HA H 0.301(5) 0.346(4) 0.306(4) 0.03(2) Uiso 1 1 d . . . . .
P1D P 0.31947(13) 0.26884(12) 0.19161(10) 0.0378(5) Uani 1 1 d . . . . .
O1D O 0.2821(5) 0.1872(4) 0.3271(4) 0.078(2) Uani 1 1 d . . . . .
N1D N 0.3814(5) 0.4194(4) 0.4517(4) 0.0489(18) Uani 1 1 d . . . . .
N2D N 0.4694(4) 0.3614(4) 0.4573(3) 0.0430(16) Uani 1 1 d . . . . .
N3D N 0.5017(4) 0.3059(4) 0.3227(4) 0.0430(16) Uani 1 1 d . . . . .
H3D H 0.4927 0.2523 0.3044 0.052 Uiso 1 1 calc R . . . .
N4D N 0.4552(5) 0.4202(4) 0.3020(3) 0.0422(16) Uani 1 1 d . . . . .
C1D C 0.4122(5) 0.3734(4) 0.4130(4) 0.0354(16) Uani 1 1 d . . . . .
C2D C 0.4207(8) 0.4346(6) 0.5188(4) 0.064(3) Uani 1 1 d . . . . .
H2D H 0.4107 0.4643 0.5549 0.077 Uiso 1 1 calc R . . . .
C3D C 0.4758(7) 0.3982(6) 0.5218(4) 0.063(3) Uani 1 1 d . . . . .
H3DA H 0.5116 0.3980 0.5604 0.076 Uiso 1 1 calc R . . . .
C4D C 0.3160(7) 0.4491(7) 0.4287(5) 0.067(3) Uani 1 1 d . . . . .
H4DA H 0.3202 0.4601 0.3896 0.101 Uiso 1 1 calc GR . . . .
H4DB H 0.3218 0.4939 0.4636 0.101 Uiso 1 1 calc GR . . . .
H4DC H 0.2629 0.4129 0.4180 0.101 Uiso 1 1 calc GR . . . .
C5D C 0.5193(6) 0.3156(5) 0.4407(5) 0.050(2) Uani 1 1 d . . . . .
H5DA H 0.4846 0.2637 0.4205 0.060 Uiso 1 1 calc R . . . .
H5DB H 0.5613 0.3215 0.4814 0.060 Uiso 1 1 calc R . . . .
C6D C 0.5604(5) 0.3363(5) 0.3932(4) 0.046(2) Uani 1 1 d . . . . .
H6DA H 0.6066 0.3173 0.3944 0.055 Uiso 1 1 calc R . . . .
H6DB H 0.5823 0.3902 0.4076 0.055 Uiso 1 1 calc R . . . .
C7D C 0.5386(6) 0.3408(5) 0.2822(5) 0.052(2) Uani 1 1 d . . . . .
H7DA H 0.5126 0.3096 0.2352 0.062 Uiso 1 1 calc R . . . .
H7DB H 0.5973 0.3469 0.2947 0.062 Uiso 1 1 calc R . . . .
C8D C 0.5265(6) 0.4155(5) 0.2933(4) 0.051(2) Uani 1 1 d . . . . .
C9D C 0.5843(8) 0.4761(7) 0.2910(6) 0.075(3) Uani 1 1 d . . . . .
H9D H 0.6324 0.4733 0.2813 0.090 Uiso 1 1 calc R . . . .
C10D C 0.5659(7) 0.5338(6) 0.3030(5) 0.071(3) Uani 1 1 d . . . . .
H10D H 0.6088 0.5765 0.3109 0.085 Uiso 1 1 calc R . . . .
C11D C 0.4917(8) 0.5461(6) 0.3069(5) 0.069(3) Uani 1 1 d . . . . .
H11D H 0.4800 0.5899 0.3084 0.082 Uiso 1 1 calc R . . . .
C12D C 0.4391(6) 0.4835(5) 0.3082(4) 0.052(2) Uani 1 1 d . . . . .
H12D H 0.3888 0.4855 0.3138 0.063 Uiso 1 1 calc R . . . .
C13D C 0.3434(5) 0.1869(5) 0.1491(4) 0.0444(19) Uani 1 1 d . . . . .
C14D C 0.3768(5) 0.1493(5) 0.1872(5) 0.050(2) Uani 1 1 d . . . . .
H14D H 0.3843 0.1647 0.2329 0.059 Uiso 1 1 calc R . . . .
C15D C 0.3992(7) 0.0880(5) 0.1573(6) 0.063(3) Uani 1 1 d . . . . .
H15D H 0.4222 0.0628 0.1827 0.075 Uiso 1 1 calc R . . . .
C16D C 0.3862(8) 0.0656(6) 0.0884(6) 0.075(3) Uani 1 1 d . . . . .
H16D H 0.4021 0.0258 0.0681 0.090 Uiso 1 1 calc R . . . .
C17D C 0.3517(9) 0.1001(8) 0.0514(6) 0.085(4) Uani 1 1 d . . . . .
H17D H 0.3428 0.0835 0.0056 0.102 Uiso 1 1 calc R . . . .
C18D C 0.3288(7) 0.1604(6) 0.0800(5) 0.063(3) Uani 1 1 d . . . . .
H18D H 0.3036 0.1833 0.0533 0.075 Uiso 1 1 calc R . . . .
C19D C 0.2060(5) 0.2392(5) 0.1544(4) 0.046(2) Uani 1 1 d . . . . .
C20D C 0.1669(6) 0.2229(7) 0.0879(5) 0.075(3) Uani 1 1 d . . . . .
H20D H 0.1986 0.2278 0.0600 0.089 Uiso 1 1 calc R . . . .
C21D C 0.0826(8) 0.1997(9) 0.0612(6) 0.093(4) Uani 1 1 d . . . . .
H21D H 0.0581 0.1885 0.0155 0.111 Uiso 1 1 calc R . . . .
C22D C 0.0347(7) 0.1927(7) 0.0991(7) 0.083(4) Uani 1 1 d . . . . .
H22D H -0.0226 0.1789 0.0806 0.100 Uiso 1 1 calc R . . . .
C23D C 0.0700(7) 0.2060(7) 0.1648(7) 0.074(3) Uani 1 1 d . . . . .
H23D H 0.0361 0.1993 0.1907 0.089 Uiso 1 1 calc R . . . .
C24D C 0.1559(6) 0.2293(6) 0.1952(5) 0.060(3) Uani 1 1 d . . . . .
H24D H 0.1794 0.2380 0.2405 0.072 Uiso 1 1 calc R . . . .
C25D C 0.3500(6) 0.3318(5) 0.1474(4) 0.047(2) Uani 1 1 d . . . . .
C26D C 0.3110(8) 0.3845(6) 0.1442(6) 0.070(3) Uani 1 1 d . . . . .
H26D H 0.2671 0.3855 0.1608 0.084 Uiso 1 1 calc R . . . .
C27D C 0.3396(13) 0.4374(9) 0.1147(8) 0.119(6) Uani 1 1 d . . . . .
H27D H 0.3166 0.4752 0.1147 0.142 Uiso 1 1 calc R . . . .
C28D C 0.3969(13) 0.4333(10) 0.0882(8) 0.118(6) Uani 1 1 d . . . . .
H28D H 0.4119 0.4660 0.0664 0.141 Uiso 1 1 calc R . . . .
C29D C 0.4357(10) 0.3824(10) 0.0914(7) 0.101(5) Uani 1 1 d . . . . .
H29D H 0.4787 0.3818 0.0738 0.121 Uiso 1 1 calc R . . . .
C30D C 0.4119(7) 0.3319(7) 0.1203(5) 0.063(3) Uani 1 1 d . . . . .
H30D H 0.4386 0.2967 0.1216 0.076 Uiso 1 1 calc R . . . .
C31D C 0.3171(6) 0.2386(6) 0.3187(4) 0.050(2) Uani 1 1 d . . . . .
Ru1C Ru -0.08675(4) 0.53986(3) 0.30662(3) 0.03655(17) Uani 1 1 d . . . . .
HB H -0.169(4) 0.478(4) 0.275(3) 0.023(17) Uiso 1 1 d . . . . .
P1C P -0.11676(14) 0.52572(12) 0.19258(10) 0.0405(5) Uani 1 1 d . . . . .
O1C O -0.1883(6) 0.6418(5) 0.3234(4) 0.083(2) Uani 1 1 d . . . . .
N1C N -0.1295(6) 0.4925(5) 0.4232(4) 0.059(2) Uani 1 1 d . . . . .
N2C N -0.0343(6) 0.5969(4) 0.4589(4) 0.063(2) Uani 1 1 d . . . . .
N3C N 0.0435(5) 0.6174(4) 0.3505(4) 0.0494(18) Uani 1 1 d . . . . .
H3C H 0.0444 0.6615 0.3382 0.059 Uiso 1 1 calc R . . . .
N4C N -0.0123(4) 0.4680(4) 0.3020(4) 0.0420(16) Uani 1 1 d . . . . .
C1C C -0.0833(6) 0.5391(5) 0.4020(4) 0.046(2) Uani 1 1 d . . . . .
C2C C -0.1096(10) 0.5198(8) 0.4924(7) 0.088(4) Uani 1 1 d . . . . .
H2C H -0.1332 0.4970 0.5182 0.106 Uiso 1 1 calc R . . . .
C3C C -0.0504(10) 0.5847(9) 0.5143(5) 0.090(4) Uani 1 1 d . . . . .
H3CA H -0.0243 0.6164 0.5587 0.108 Uiso 1 1 calc R . . . .
C4C C -0.1942(8) 0.4200(7) 0.3802(6) 0.082(4) Uani 1 1 d . . . . .
H4CA H -0.2140 0.4197 0.3354 0.123 Uiso 1 1 calc GR . . . .
H4CB H -0.2394 0.4128 0.3976 0.123 Uiso 1 1 calc GR . . . .
H4CC H -0.1711 0.3806 0.3796 0.123 Uiso 1 1 calc GR . . . .
C5C C 0.0280(8) 0.6643(6) 0.4610(5) 0.076(4) Uani 1 1 d . . . . .
H5CA H -0.0004 0.6936 0.4415 0.091 Uiso 1 1 calc R . . . .
H5CB H 0.0607 0.6948 0.5073 0.091 Uiso 1 1 calc R . . . .
C6C C 0.0836(7) 0.6434(5) 0.4238(5) 0.062(3) Uani 1 1 d . . . . .
H6CA H 0.1329 0.6862 0.4373 0.074 Uiso 1 1 calc R . . . .
H6CB H 0.1008 0.6042 0.4354 0.074 Uiso 1 1 calc R . . . .
C7C C 0.0925(6) 0.5791(5) 0.3165(6) 0.059(3) Uani 1 1 d . . . . .
H7CA H 0.1511 0.6045 0.3410 0.071 Uiso 1 1 calc R . . . .
H7CB H 0.0818 0.5809 0.2717 0.071 Uiso 1 1 calc R . . . .
C8C C 0.0702(6) 0.4993(5) 0.3122(5) 0.048(2) Uani 1 1 d . . . . .
C9C C 0.1247(6) 0.4608(6) 0.3138(6) 0.064(3) Uani 1 1 d . . . . .
H9C H 0.1798 0.4831 0.3185 0.077 Uiso 1 1 calc R . . . .
C10C C 0.0943(9) 0.3856(6) 0.3080(7) 0.084(4) Uani 1 1 d . . . . .
H10C H 0.1306 0.3584 0.3114 0.101 Uiso 1 1 calc R . . . .
C11C C 0.0132(7) 0.3526(6) 0.2976(6) 0.064(3) Uani 1 1 d . . . . .
H11C H -0.0071 0.3026 0.2923 0.077 Uiso 1 1 calc R . . . .
C12C C -0.0384(6) 0.3949(5) 0.2951(5) 0.054(2) Uani 1 1 d . . . . .
H12C H -0.0941 0.3724 0.2884 0.064 Uiso 1 1 calc R . . . .
C13C C -0.2193(6) 0.5331(5) 0.1593(5) 0.057(3) Uani 1 1 d . . . . .
C14C C -0.2349(9) 0.5837(10) 0.1332(9) 0.116(2) Uani 1 1 d . . . . .
H14C H -0.1931 0.6130 0.1234 0.139 Uiso 1 1 calc R . . . .
C15C C -0.3137(9) 0.5940(11) 0.1198(9) 0.116(2) Uani 1 1 d . . . . .
H15C H -0.3190 0.6355 0.1093 0.139 Uiso 1 1 calc R . . . .
C16C C -0.3773(9) 0.5484(10) 0.1216(9) 0.116(2) Uani 1 1 d . . . . .
H16C H -0.4308 0.5474 0.1019 0.139 Uiso 1 1 calc R . . . .
C17C C -0.3628(9) 0.5035(10) 0.1525(9) 0.116(2) Uani 1 1 d . . . . .
H17C H -0.4061 0.4748 0.1614 0.139 Uiso 1 1 calc R . . . .
C18C C -0.2846(9) 0.4966(10) 0.1730(9) 0.116(2) Uani 1 1 d . . . . .
H18C H -0.2770 0.4655 0.1972 0.139 Uiso 1 1 calc R . . . .
C19C C -0.1230(7) 0.4358(5) 0.1352(5) 0.057(3) Uani 1 1 d . . . . .
C20C C -0.1953(9) 0.3840(11) 0.0852(10) 0.116(2) Uani 1 1 d . . . . .
H20C H -0.2449 0.3943 0.0798 0.139 Uiso 1 1 calc R . . . .
C21C C -0.1940(13) 0.3169(7) 0.0432(7) 0.109(6) Uani 1 1 d . . . . .
H21C H -0.2425 0.2830 0.0100 0.130 Uiso 1 1 calc R . . . .
C22C C -0.1220(10) 0.3012(8) 0.0509(7) 0.089(4) Uani 1 1 d . . . . .
H22C H -0.1216 0.2564 0.0230 0.107 Uiso 1 1 calc R . . . .
C23C C -0.0520(10) 0.3492(7) 0.0978(7) 0.089(4) Uani 1 1 d . . . . .
H23C H -0.0030 0.3379 0.1017 0.106 Uiso 1 1 calc R . . . .
C24C C -0.0509(9) 0.4169(6) 0.1416(6) 0.072(3) Uani 1 1 d . . . . .
H24C H -0.0017 0.4492 0.1750 0.086 Uiso 1 1 calc R . . . .
C25C C -0.0574(6) 0.5891(5) 0.1611(5) 0.051(2) Uani 1 1 d . . . . .
C26C C -0.0159(6) 0.6632(5) 0.2022(6) 0.063(3) Uani 1 1 d . . . . .
H26C H -0.0159 0.6793 0.2462 0.075 Uiso 1 1 calc R . . . .
C27C C 0.0255(8) 0.7131(7) 0.1780(8) 0.087(4) Uani 1 1 d . . . . .
H27C H 0.0546 0.7621 0.2066 0.104 Uiso 1 1 calc R . . . .
C28C C 0.0245(8) 0.6924(8) 0.1135(8) 0.085(4) Uani 1 1 d . . . . .
H28C H 0.0514 0.7269 0.0977 0.102 Uiso 1 1 calc R . . . .
C29C C -0.0170(10) 0.6193(9) 0.0719(8) 0.105(5) Uani 1 1 d . . . . .
H29C H -0.0181 0.6043 0.0276 0.126 Uiso 1 1 calc R . . . .
C30C C -0.0571(10) 0.5680(7) 0.0953(7) 0.095(5) Uani 1 1 d . . . . .
H30C H -0.0843 0.5188 0.0667 0.115 Uiso 1 1 calc R . . . .
C31C C -0.1477(7) 0.6030(5) 0.3158(5) 0.052(2) Uani 1 1 d . . . . .
Ru1B Ru 0.43548(4) 0.81193(3) 0.31061(3) 0.03340(16) Uani 1 1 d . . . . .
HC H 0.498(5) 0.860(4) 0.277(4) 0.04(2) Uiso 1 1 d . . . . .
P1B P 0.36421(13) 0.73804(11) 0.19734(10) 0.0358(4) Uani 1 1 d . . . . .
O1B O 0.5514(5) 0.7238(4) 0.3210(5) 0.083(3) Uani 1 1 d . . . . .
N1B N 0.5749(5) 0.9505(4) 0.4269(4) 0.055(2) Uani 1 1 d . . . . .
N2B N 0.5118(6) 0.8743(4) 0.4635(4) 0.062(2) Uani 1 1 d . . . . .
N3B N 0.3421(5) 0.7689(4) 0.3574(3) 0.0421(16) Uani 1 1 d . . . . .
H3B H 0.3302 0.7149 0.3445 0.051 Uiso 1 1 calc R . . . .
N4B N 0.3575(4) 0.8809(4) 0.3076(3) 0.0386(15) Uani 1 1 d . . . . .
C1B C 0.5131(6) 0.8865(5) 0.4060(4) 0.045(2) Uani 1 1 d . . . . .
C2B C 0.6126(8) 0.9789(7) 0.4961(6) 0.076(3) Uani 1 1 d . . . . .
H2B H 0.6561 1.0231 0.5219 0.092 Uiso 1 1 calc R . . . .
C3B C 0.5727(9) 0.9289(7) 0.5174(6) 0.083(4) Uani 1 1 d . . . . .
H3BA H 0.5845 0.9310 0.5616 0.100 Uiso 1 1 calc R . . . .
C4B C 0.6022(7) 0.9906(6) 0.3854(6) 0.074(3) Uani 1 1 d . . . . .
H4BA H 0.5829 0.9572 0.3397 0.111 Uiso 1 1 calc GR . . . .
H4BB H 0.6617 1.0101 0.4009 0.111 Uiso 1 1 calc GR . . . .
H4BC H 0.5801 1.0309 0.3882 0.111 Uiso 1 1 calc GR . . . .
C5B C 0.4526(7) 0.8089(5) 0.4658(5) 0.061(3) Uani 1 1 d . . . . .
H5BA H 0.4595 0.8141 0.5121 0.073 Uiso 1 1 calc R . . . .
H5BB H 0.4645 0.7643 0.4448 0.073 Uiso 1 1 calc R . . . .
C6B C 0.3658(7) 0.8010(5) 0.4309(5) 0.060(3) Uani 1 1 d . . . . .
H6BA H 0.3289 0.7694 0.4458 0.072 Uiso 1 1 calc R . . . .
H6BB H 0.3588 0.8496 0.4434 0.072 Uiso 1 1 calc R . . . .
C7B C 0.2659(6) 0.7822(5) 0.3261(5) 0.052(2) Uani 1 1 d . . . . .
H7BA H 0.2300 0.7794 0.3533 0.063 Uiso 1 1 calc R . . . .
H7BB H 0.2365 0.7437 0.2822 0.063 Uiso 1 1 calc R . . . .
C8B C 0.2850(6) 0.8570(5) 0.3189(4) 0.046(2) Uani 1 1 d . . . . .
C9B C 0.2315(6) 0.8990(5) 0.3200(5) 0.054(2) Uani 1 1 d . . . . .
H9B H 0.1819 0.8824 0.3280 0.065 Uiso 1 1 calc R . . . .
C10B C 0.2527(7) 0.9645(6) 0.3092(5) 0.059(3) Uani 1 1 d . . . . .
H10B H 0.2167 0.9922 0.3085 0.071 Uiso 1 1 calc R . . . .
C11B C 0.3253(7) 0.9895(5) 0.2996(5) 0.055(2) Uani 1 1 d . . . . .
H11B H 0.3404 1.0349 0.2935 0.066 Uiso 1 1 calc R . . . .
C12B C 0.3763(6) 0.9474(4) 0.2991(4) 0.047(2) Uani 1 1 d . . . . .
H12B H 0.4265 0.9652 0.2925 0.056 Uiso 1 1 calc R . . . .
C13B C 0.4284(6) 0.7083(5) 0.1482(4) 0.050(2) Uani 1 1 d . . . . .
C14B C 0.5113(7) 0.7449(7) 0.1682(6) 0.071(3) Uani 1 1 d . . . . .
H14B H 0.5366 0.7835 0.2095 0.085 Uiso 1 1 calc R . . . .
C15B C 0.5579(9) 0.7263(9) 0.1292(7) 0.102(5) Uani 1 1 d . . . . .
H15B H 0.6146 0.7518 0.1440 0.123 Uiso 1 1 calc R . . . .
C16B C 0.5208(10) 0.6695(10) 0.0679(7) 0.106(5) Uani 1 1 d . . . . .
H16B H 0.5528 0.6563 0.0414 0.127 Uiso 1 1 calc R . . . .
C17B C 0.4383(10) 0.6327(8) 0.0456(6) 0.093(4) Uani 1 1 d . . . . .
H17B H 0.4135 0.5954 0.0035 0.111 Uiso 1 1 calc R . . . .
C18B C 0.3910(9) 0.6507(7) 0.0853(6) 0.079(3) Uani 1 1 d . . . . .
H18B H 0.3345 0.6247 0.0705 0.095 Uiso 1 1 calc R . . . .
C19B C 0.3157(6) 0.7903(4) 0.1515(4) 0.046(2) Uani 1 1 d . . . . .
C20B C 0.3572(7) 0.8298(6) 0.1217(6) 0.069(3) Uani 1 1 d . . . . .
H20B H 0.4083 0.8259 0.1198 0.082 Uiso 1 1 calc R . . . .
C21B C 0.3249(12) 0.8767(8) 0.0934(8) 0.105(5) Uani 1 1 d . . . . .
H21B H 0.3525 0.9003 0.0700 0.126 Uiso 1 1 calc R . . . .
C22B C 0.2536(9) 0.8877(7) 0.1002(7) 0.079(4) Uani 1 1 d . . . . .
H22B H 0.2334 0.9210 0.0840 0.094 Uiso 1 1 calc R . . . .
C23B C 0.2121(8) 0.8486(6) 0.1317(6) 0.069(3) Uani 1 1 d . . . . .
H23B H 0.1627 0.8549 0.1363 0.083 Uiso 1 1 calc R . . . .
C24B C 0.2416(6) 0.8012(6) 0.1562(5) 0.059(3) Uani 1 1 d . . . . .
H24B H 0.2117 0.7750 0.1768 0.070 Uiso 1 1 calc R . . . .
C25B C 0.2799(5) 0.6506(5) 0.1738(5) 0.046(2) Uani 1 1 d . . . . .
C26B C 0.2888(7) 0.6090(5) 0.2150(5) 0.057(2) Uani 1 1 d . . . . .
H26B H 0.3352 0.6281 0.2534 0.068 Uiso 1 1 calc R . . . .
C27B C 0.2308(9) 0.5394(6) 0.2011(9) 0.101(3) Uani 1 1 d . . . . .
H27B H 0.2391 0.5116 0.2285 0.121 Uiso 1 1 calc R . . . .
C28B C 0.1648(9) 0.5153(7) 0.1483(9) 0.101(3) Uani 1 1 d . . . . .
H28B H 0.1244 0.4701 0.1387 0.121 Uiso 1 1 calc R . . . .
C29B C 0.1532(9) 0.5561(6) 0.1054(9) 0.101(3) Uani 1 1 d . . . . .
H29B H 0.1056 0.5371 0.0680 0.121 Uiso 1 1 calc R . . . .
C30B C 0.2096(8) 0.6220(6) 0.1174(7) 0.091(4) Uani 1 1 d . . . . .
H30B H 0.2015 0.6479 0.0882 0.109 Uiso 1 1 calc R . . . .
C31B C 0.5056(6) 0.7550(5) 0.3161(5) 0.052(2) 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 0.0033 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'
Cl Cl 0.1484 0.1585 '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'
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
P1A Ru1A H 84(2) . . ?
N3A Ru1A H 170(2) . . ?
N3A Ru1A P1A 100.16(17) . . ?
N4A Ru1A H 95(2) . . ?
N4A Ru1A P1A 91.04(18) . . ?
N4A Ru1A N3A 75.1(3) . . ?
C1A Ru1A H 88(2) . . ?
C1A Ru1A P1A 172.1(2) . . ?
C1A Ru1A N3A 87.7(3) . . ?
C1A Ru1A N4A 91.4(3) . . ?
C31A Ru1A H 88(2) . . ?
C31A Ru1A P1A 90.7(3) . . ?
C31A Ru1A N3A 101.5(3) . . ?
C31A Ru1A N4A 176.4(4) . . ?
C31A Ru1A C1A 87.3(4) . . ?
C13A P1A Ru1A 116.0(3) . . ?
C13A P1A C19A 101.0(4) . . ?
C19A P1A Ru1A 117.8(3) . . ?
C25A P1A Ru1A 115.2(3) . . ?
C25A P1A C13A 101.7(4) . . ?
C25A P1A C19A 102.7(4) . . ?
C1A N1A C2A 109.3(8) . . ?
C1A N1A C4A 127.3(7) . . ?
C2A N1A C4A 123.3(8) . . ?
C1A N2A C3A 114.0(8) . . ?
C1A N2A C5A 124.0(7) . . ?
C3A N2A C5A 121.9(7) . . ?
Ru1A N3A H3A 107.3 . . ?
C6A N3A Ru1A 118.2(5) . . ?
C6A N3A H3A 107.3 . . ?
C7A N3A Ru1A 106.2(5) . . ?
C7A N3A H3A 107.3 . . ?
C7A N3A C6A 110.1(7) . . ?
C8A N4A Ru1A 116.2(6) . . ?
C8A N4A C12A 117.6(8) . . ?
C12A N4A Ru1A 126.2(7) . . ?
N1A C1A Ru1A 130.0(6) . . ?
N2A C1A Ru1A 125.9(6) . . ?
N2A C1A N1A 103.8(7) . . ?
N1A C2A H2A 126.3 . . ?
C3A C2A N1A 107.5(8) . . ?
C3A C2A H2A 126.3 . . ?
N2A C3A H3AA 127.3 . . ?
C2A C3A N2A 105.4(8) . . ?
C2A C3A H3AA 127.3 . . ?
N1A C4A H4AA 109.5 . . ?
N1A C4A H4AB 109.5 . . ?
N1A C4A H4AC 109.5 . . ?
H4AA C4A H4AB 109.5 . . ?
H4AA C4A H4AC 109.5 . . ?
H4AB C4A H4AC 109.5 . . ?
N2A C5A H5AA 109.3 . . ?
N2A C5A H5AB 109.3 . . ?
N2A C5A C6A 111.7(7) . . ?
H5AA C5A H5AB 107.9 . . ?
C6A C5A H5AA 109.3 . . ?
C6A C5A H5AB 109.3 . . ?
N3A C6A C5A 111.4(7) . . ?
N3A C6A H6AA 109.3 . . ?
N3A C6A H6AB 109.3 . . ?
C5A C6A H6AA 109.3 . . ?
C5A C6A H6AB 109.3 . . ?
H6AA C6A H6AB 108.0 . . ?
N3A C7A H7AA 110.1 . . ?
N3A C7A H7AB 110.1 . . ?
N3A C7A C8A 107.9(7) . . ?
H7AA C7A H7AB 108.4 . . ?
C8A C7A H7AA 110.1 . . ?
C8A C7A H7AB 110.1 . . ?
N4A C8A C7A 115.8(8) . . ?
N4A C8A C9A 122.1(9) . . ?
C9A C8A C7A 122.0(9) . . ?
C8A C9A H9A 122.0 . . ?
C10A C9A C8A 116.1(9) . . ?
C10A C9A H9A 122.0 . . ?
C9A C10A H10A 118.7 . . ?
C9A C10A C11A 122.6(9) . . ?
C11A C10A H10A 118.7 . . ?
C10A C11A H11A 121.7 . . ?
C10A C11A C12A 116.7(11) . . ?
C12A C11A H11A 121.7 . . ?
N4A C12A C11A 121.3(11) . . ?
N4A C12A H12A 119.4 . . ?
C11A C12A H12A 119.4 . . ?
C14A C13A P1A 123.5(6) . . ?
C14A C13A C18A 116.3(8) . . ?
C18A C13A P1A 120.2(6) . . ?
C13A C14A H14A 118.3 . . ?
C15A C14A C13A 123.4(8) . . ?
C15A C14A H14A 118.3 . . ?
C14A C15A H15A 119.9 . . ?
C14A C15A C16A 120.2(9) . . ?
C16A C15A H15A 119.9 . . ?
C15A C16A H16A 120.7 . . ?
C17A C16A C15A 118.5(9) . . ?
C17A C16A H16A 120.7 . . ?
C16A C17A H17A 119.4 . . ?
C18A C17A C16A 121.2(10) . . ?
C18A C17A H17A 119.4 . . ?
C13A C18A H18A 120.0 . . ?
C17A C18A C13A 120.1(9) . . ?
C17A C18A H18A 120.0 . . ?
C20A C19A P1A 119.0(7) . . ?
C20A C19A C24A 118.1(8) . . ?
C24A C19A P1A 122.9(7) . . ?
C19A C20A H20A 118.9 . . ?
C19A C20A C21A 122.2(9) . . ?
C21A C20A H20A 118.9 . . ?
C20A C21A H21A 119.9 . . ?
C22A C21A C20A 120.2(11) . . ?
C22A C21A H21A 119.9 . . ?
C21A C22A H22A 121.2 . . ?
C23A C22A C21A 117.6(10) . . ?
C23A C22A H22A 121.2 . . ?
C22A C23A H23A 118.9 . . ?
C22A C23A C24A 122.1(11) . . ?
C24A C23A H23A 118.9 . . ?
C19A C24A C23A 119.7(10) . . ?
C19A C24A H24A 120.1 . . ?
C23A C24A H24A 120.1 . . ?
C26A C25A P1A 119.7(7) . . ?
C30A C25A P1A 122.2(7) . . ?
C30A C25A C26A 118.0(9) . . ?
C25A C26A H26A 119.7 . . ?
C27A C26A C25A 120.7(12) . . ?
C27A C26A H26A 119.7 . . ?
C26A C27A H27A 119.6 . . ?
C28A C27A C26A 120.7(13) . . ?
C28A C27A H27A 119.6 . . ?
C27A C28A H28A 119.5 . . ?
C27A C28A C29A 121.0(12) . . ?
C29A C28A H28A 119.5 . . ?
C28A C29A H29A 120.0 . . ?
C28A C29A C30A 120.0(12) . . ?
C30A C29A H29A 120.0 . . ?
C25A C30A C29A 119.3(11) . . ?
C25A C30A H30A 120.3 . . ?
C29A C30A H30A 120.3 . . ?
O1A C31A Ru1A 178.9(10) . . ?
P1D Ru1D HA 86(3) . . ?
N3D Ru1D HA 171(3) . . ?
N3D Ru1D P1D 99.66(19) . . ?
N4D Ru1D HA 98(3) . . ?
N4D Ru1D P1D 90.58(18) . . ?
N4D Ru1D N3D 75.1(3) . . ?
C1D Ru1D HA 86(3) . . ?
C1D Ru1D P1D 171.7(2) . . ?
C1D Ru1D N3D 88.6(3) . . ?
C1D Ru1D N4D 90.8(3) . . ?
C31D Ru1D HA 86(3) . . ?
C31D Ru1D P1D 91.9(3) . . ?
C31D Ru1D N3D 101.4(4) . . ?
C31D Ru1D N4D 176.0(4) . . ?
C31D Ru1D C1D 87.2(3) . . ?
C13D P1D Ru1D 117.8(3) . . ?
C13D P1D C19D 102.4(4) . . ?
C13D P1D C25D 101.9(4) . . ?
C19D P1D Ru1D 117.6(3) . . ?
C19D P1D C25D 99.8(4) . . ?
C25D P1D Ru1D 114.7(3) . . ?
C1D N1D C2D 110.1(8) . . ?
C1D N1D C4D 127.4(7) . . ?
C2D N1D C4D 122.5(8) . . ?
C1D N2D C3D 111.8(8) . . ?
C1D N2D C5D 125.3(7) . . ?
C3D N2D C5D 122.8(7) . . ?
Ru1D N3D H3D 108.1 . . ?
C6D N3D Ru1D 116.3(5) . . ?
C6D N3D H3D 108.1 . . ?
C7D N3D Ru1D 106.3(5) . . ?
C7D N3D H3D 108.1 . . ?
C7D N3D C6D 109.6(7) . . ?
C8D N4D Ru1D 115.3(6) . . ?
C12D N4D Ru1D 125.4(7) . . ?
C12D N4D C8D 119.2(8) . . ?
N1D C1D Ru1D 131.2(6) . . ?
N2D C1D Ru1D 124.4(6) . . ?
N2D C1D N1D 104.3(7) . . ?
N1D C2D H2D 126.6 . . ?
C3D C2D N1D 106.7(8) . . ?
C3D C2D H2D 126.6 . . ?
N2D C3D H3DA 126.5 . . ?
C2D C3D N2D 107.0(8) . . ?
C2D C3D H3DA 126.5 . . ?
N1D C4D H4DA 109.5 . . ?
N1D C4D H4DB 109.5 . . ?
N1D C4D H4DC 109.5 . . ?
H4DA C4D H4DB 109.5 . . ?
H4DA C4D H4DC 109.5 . . ?
H4DB C4D H4DC 109.5 . . ?
N2D C5D H5DA 109.4 . . ?
N2D C5D H5DB 109.4 . . ?
N2D C5D C6D 111.1(7) . . ?
H5DA C5D H5DB 108.0 . . ?
C6D C5D H5DA 109.4 . . ?
C6D C5D H5DB 109.4 . . ?
N3D C6D H6DA 109.2 . . ?
N3D C6D H6DB 109.2 . . ?
C5D C6D N3D 112.1(7) . . ?
C5D C6D H6DA 109.2 . . ?
C5D C6D H6DB 109.2 . . ?
H6DA C6D H6DB 107.9 . . ?
N3D C7D H7DA 109.9 . . ?
N3D C7D H7DB 109.9 . . ?
N3D C7D C8D 109.0(7) . . ?
H7DA C7D H7DB 108.3 . . ?
C8D C7D H7DA 109.9 . . ?
C8D C7D H7DB 109.9 . . ?
N4D C8D C7D 116.5(8) . . ?
N4D C8D C9D 121.0(10) . . ?
C9D C8D C7D 122.4(10) . . ?
C8D C9D H9D 123.0 . . ?
C10D C9D C8D 113.9(12) . . ?
C10D C9D H9D 123.0 . . ?
C9D C10D H10D 114.4 . . ?
C9D C10D C11D 131.3(12) . . ?
C11D C10D H10D 114.4 . . ?
C10D C11D H11D 125.4 . . ?
C12D C11D C10D 109.2(10) . . ?
C12D C11D H11D 125.4 . . ?
N4D C12D C11D 124.2(10) . . ?
N4D C12D H12D 117.9 . . ?
C11D C12D H12D 117.9 . . ?
C14D C13D P1D 118.3(6) . . ?
C14D C13D C18D 118.7(8) . . ?
C18D C13D P1D 123.0(7) . . ?
C13D C14D H14D 119.9 . . ?
C13D C14D C15D 120.2(9) . . ?
C15D C14D H14D 119.9 . . ?
C14D C15D H15D 120.7 . . ?
C16D C15D C14D 118.6(10) . . ?
C16D C15D H15D 120.7 . . ?
C15D C16D H16D 119.4 . . ?
C17D C16D C15D 121.1(10) . . ?
C17D C16D H16D 119.4 . . ?
C16D C17D H17D 119.5 . . ?
C16D C17D C18D 121.1(11) . . ?
C18D C17D H17D 119.5 . . ?
C13D C18D H18D 119.9 . . ?
C17D C18D C13D 120.1(10) . . ?
C17D C18D H18D 119.9 . . ?
C20D C19D P1D 122.8(8) . . ?
C20D C19D C24D 117.8(9) . . ?
C24D C19D P1D 119.4(7) . . ?
C19D C20D H20D 119.1 . . ?
C21D C20D C19D 121.7(11) . . ?
C21D C20D H20D 119.1 . . ?
C20D C21D H21D 119.4 . . ?
C22D C21D C20D 121.3(12) . . ?
C22D C21D H21D 119.4 . . ?
C21D C22D H22D 120.3 . . ?
C21D C22D C23D 119.4(11) . . ?
C23D C22D H22D 120.3 . . ?
C22D C23D H23D 118.9 . . ?
C22D C23D C24D 122.2(11) . . ?
C24D C23D H23D 118.9 . . ?
C19D C24D H24D 121.2 . . ?
C23D C24D C19D 117.5(10) . . ?
C23D C24D H24D 121.2 . . ?
C26D C25D P1D 118.7(7) . . ?
C30D C25D P1D 123.4(8) . . ?
C30D C25D C26D 117.8(9) . . ?
C25D C26D H26D 120.8 . . ?
C25D C26D C27D 118.5(12) . . ?
C27D C26D H26D 120.8 . . ?
C26D C27D H27D 119.6 . . ?
C28D C27D C26D 120.8(16) . . ?
C28D C27D H27D 119.6 . . ?
C27D C28D H28D 119.5 . . ?
C27D C28D C29D 121.0(14) . . ?
C29D C28D H28D 119.5 . . ?
C28D C29D H29D 119.8 . . ?
C28D C29D C30D 120.3(15) . . ?
C30D C29D H29D 119.8 . . ?
C25D C30D C29D 121.4(13) . . ?
C25D C30D H30D 119.3 . . ?
C29D C30D H30D 119.3 . . ?
O1D C31D Ru1D 177.3(9) . . ?
P1C Ru1C HB 78(3) . . ?
N3C Ru1C HB 171(3) . . ?
N3C Ru1C P1C 101.7(2) . . ?
N4C Ru1C HB 95(3) . . ?
N4C Ru1C P1C 94.0(2) . . ?
N4C Ru1C N3C 75.5(3) . . ?
C1C Ru1C HB 91(3) . . ?
C1C Ru1C P1C 169.1(3) . . ?
C1C Ru1C N3C 89.2(3) . . ?
C1C Ru1C N4C 89.0(3) . . ?
C31C Ru1C HB 86(3) . . ?
C31C Ru1C P1C 89.2(3) . . ?
C31C Ru1C N3C 103.0(4) . . ?
C31C Ru1C N4C 176.7(3) . . ?
C31C Ru1C C1C 88.0(4) . . ?
C13C P1C Ru1C 110.4(4) . . ?
C13C P1C C19C 103.4(5) . . ?
C19C P1C Ru1C 116.5(3) . . ?
C25C P1C Ru1C 124.2(3) . . ?
C25C P1C C13C 99.0(4) . . ?
C25C P1C C19C 100.2(4) . . ?
C1C N1C C2C 111.7(10) . . ?
C1C N1C C4C 125.8(8) . . ?
C2C N1C C4C 122.4(10) . . ?
C1C N2C C3C 110.7(10) . . ?
C1C N2C C5C 124.2(8) . . ?
C3C N2C C5C 125.1(10) . . ?
Ru1C N3C H3C 107.5 . . ?
C6C N3C Ru1C 118.0(6) . . ?
C6C N3C H3C 107.5 . . ?
C6C N3C C7C 109.5(8) . . ?
C7C N3C Ru1C 106.3(5) . . ?
C7C N3C H3C 107.5 . . ?
C8C N4C Ru1C 117.6(5) . . ?
C12C N4C Ru1C 125.5(6) . . ?
C12C N4C C8C 116.6(7) . . ?
N1C C1C Ru1C 132.7(7) . . ?
N1C C1C N2C 104.0(8) . . ?
N2C C1C Ru1C 122.9(7) . . ?
N1C C2C H2C 126.9 . . ?
C3C C2C N1C 106.3(10) . . ?
C3C C2C H2C 126.9 . . ?
N2C C3C H3CA 126.3 . . ?
C2C C3C N2C 107.4(11) . . ?
C2C C3C H3CA 126.3 . . ?
N1C C4C H4CA 109.5 . . ?
N1C C4C H4CB 109.5 . . ?
N1C C4C H4CC 109.5 . . ?
H4CA C4C H4CB 109.5 . . ?
H4CA C4C H4CC 109.5 . . ?
H4CB C4C H4CC 109.5 . . ?
N2C C5C H5CA 109.4 . . ?
N2C C5C H5CB 109.4 . . ?
H5CA C5C H5CB 108.0 . . ?
C6C C5C N2C 111.0(9) . . ?
C6C C5C H5CA 109.4 . . ?
C6C C5C H5CB 109.4 . . ?
N3C C6C C5C 112.4(8) . . ?
N3C C6C H6CA 109.1 . . ?
N3C C6C H6CB 109.1 . . ?
C5C C6C H6CA 109.1 . . ?
C5C C6C H6CB 109.1 . . ?
H6CA C6C H6CB 107.9 . . ?
N3C C7C H7CA 109.5 . . ?
N3C C7C H7CB 109.5 . . ?
N3C C7C C8C 110.7(8) . . ?
H7CA C7C H7CB 108.1 . . ?
C8C C7C H7CA 109.5 . . ?
C8C C7C H7CB 109.5 . . ?
N4C C8C C7C 112.7(8) . . ?
C9C C8C N4C 123.5(8) . . ?
C9C C8C C7C 123.7(9) . . ?
C8C C9C H9C 121.4 . . ?
C8C C9C C10C 117.2(10) . . ?
C10C C9C H9C 121.4 . . ?
C9C C10C H10C 119.5 . . ?
C11C C10C C9C 121.0(11) . . ?
C11C C10C H10C 119.5 . . ?
C10C C11C H11C 120.9 . . ?
C10C C11C C12C 118.2(10) . . ?
C12C C11C H11C 120.9 . . ?
N4C C12C C11C 123.4(9) . . ?
N4C C12C H12C 118.3 . . ?
C11C C12C H12C 118.3 . . ?
C14C C13C P1C 125.8(9) . . ?
C14C C13C C18C 112.5(12) . . ?
C18C C13C P1C 120.2(9) . . ?
C13C C14C H14C 119.1 . . ?
C13C C14C C15C 121.9(14) . . ?
C15C C14C H14C 119.1 . . ?
C14C C15C H15C 118.9 . . ?
C16C C15C C14C 122.3(17) . . ?
C16C C15C H15C 118.9 . . ?
C15C C16C H16C 122.0 . . ?
C15C C16C C17C 115.9(15) . . ?
C17C C16C H16C 122.0 . . ?
C16C C17C H17C 118.9 . . ?
C16C C17C C18C 122.2(15) . . ?
C18C C17C H17C 118.9 . . ?
C13C C18C C17C 122.9(14) . . ?
C13C C18C H18C 118.5 . . ?
C17C C18C H18C 118.5 . . ?
C20C C19C P1C 124.9(11) . . ?
C24C C19C P1C 118.1(9) . . ?
C24C C19C C20C 117.0(12) . . ?
C19C C20C H20C 119.5 . . ?
C19C C20C C21C 120.9(15) . . ?
C21C C20C H20C 119.5 . . ?
C20C C21C H21C 120.0 . . ?
C22C C21C C20C 120.0(14) . . ?
C22C C21C H21C 120.0 . . ?
C21C C22C H22C 119.6 . . ?
C23C C22C C21C 120.9(13) . . ?
C23C C22C H22C 119.6 . . ?
C22C C23C H23C 119.6 . . ?
C22C C23C C24C 120.9(14) . . ?
C24C C23C H23C 119.6 . . ?
C19C C24C C23C 120.4(13) . . ?
C19C C24C H24C 119.8 . . ?
C23C C24C H24C 119.8 . . ?
C26C C25C P1C 119.4(8) . . ?
C30C C25C P1C 122.7(8) . . ?
C30C C25C C26C 117.7(10) . . ?
C25C C26C H26C 119.9 . . ?
C27C C26C C25C 120.3(12) . . ?
C27C C26C H26C 119.9 . . ?
C26C C27C H27C 119.2 . . ?
C28C C27C C26C 121.6(12) . . ?
C28C C27C H27C 119.2 . . ?
C27C C28C H28C 120.6 . . ?
C27C C28C C29C 118.8(11) . . ?
C29C C28C H28C 120.6 . . ?
C28C C29C H29C 119.7 . . ?
C28C C29C C30C 120.6(13) . . ?
C30C C29C H29C 119.7 . . ?
C25C C30C H30C 119.6 . . ?
C29C C30C C25C 120.9(12) . . ?
C29C C30C H30C 119.6 . . ?
O1C C31C Ru1C 176.9(9) . . ?
P1B Ru1B HC 82(3) . . ?
N3B Ru1B HC 168(3) . . ?
N3B Ru1B P1B 100.11(19) . . ?
N4B Ru1B HC 92(3) . . ?
N4B Ru1B P1B 91.17(18) . . ?
N4B Ru1B N3B 75.9(2) . . ?
C1B Ru1B HC 89(3) . . ?
C1B Ru1B P1B 170.8(3) . . ?
C1B Ru1B N3B 89.0(3) . . ?
C1B Ru1B N4B 90.2(3) . . ?
C31B Ru1B HC 87(3) . . ?
C31B Ru1B P1B 90.8(3) . . ?
C31B Ru1B N3B 104.3(4) . . ?
C31B Ru1B N4B 177.9(3) . . ?
C31B Ru1B C1B 87.7(4) . . ?
C13B P1B Ru1B 115.7(3) . . ?
C13B P1B C19B 101.7(4) . . ?
C13B P1B C25B 101.8(4) . . ?
C19B P1B Ru1B 111.3(3) . . ?
C25B P1B Ru1B 120.6(3) . . ?
C25B P1B C19B 103.4(4) . . ?
C1B N1B C2B 112.4(9) . . ?
C1B N1B C4B 126.7(8) . . ?
C2B N1B C4B 120.8(9) . . ?
C1B N2B C3B 111.1(10) . . ?
C1B N2B C5B 123.6(8) . . ?
C3B N2B C5B 125.3(9) . . ?
Ru1B N3B H3B 107.9 . . ?
C6B N3B Ru1B 116.9(6) . . ?
C6B N3B H3B 107.9 . . ?
C7B N3B Ru1B 106.1(5) . . ?
C7B N3B H3B 107.9 . . ?
C7B N3B C6B 109.8(7) . . ?
C8B N4B Ru1B 116.6(5) . . ?
C12B N4B Ru1B 126.0(6) . . ?
C12B N4B C8B 117.4(7) . . ?
N1B C1B Ru1B 132.8(7) . . ?
N1B C1B N2B 103.5(7) . . ?
N2B C1B Ru1B 123.7(7) . . ?
N1B C2B H2B 127.7 . . ?
C3B C2B N1B 104.7(10) . . ?
C3B C2B H2B 127.7 . . ?
N2B C3B H3BA 125.9 . . ?
C2B C3B N2B 108.3(11) . . ?
C2B C3B H3BA 125.9 . . ?
N1B C4B H4BA 109.5 . . ?
N1B C4B H4BB 109.5 . . ?
N1B C4B H4BC 109.5 . . ?
H4BA C4B H4BB 109.5 . . ?
H4BA C4B H4BC 109.5 . . ?
H4BB C4B H4BC 109.5 . . ?
N2B C5B H5BA 109.4 . . ?
N2B C5B H5BB 109.4 . . ?
N2B C5B C6B 111.4(8) . . ?
H5BA C5B H5BB 108.0 . . ?
C6B C5B H5BA 109.4 . . ?
C6B C5B H5BB 109.4 . . ?
N3B C6B C5B 113.0(8) . . ?
N3B C6B H6BA 109.0 . . ?
N3B C6B H6BB 109.0 . . ?
C5B C6B H6BA 109.0 . . ?
C5B C6B H6BB 109.0 . . ?
H6BA C6B H6BB 107.8 . . ?
N3B C7B H7BA 109.4 . . ?
N3B C7B H7BB 109.4 . . ?
N3B C7B C8B 111.2(8) . . ?
H7BA C7B H7BB 108.0 . . ?
C8B C7B H7BA 109.4 . . ?
C8B C7B H7BB 109.4 . . ?
N4B C8B C7B 115.3(8) . . ?
N4B C8B C9B 120.8(8) . . ?
C9B C8B C7B 123.8(8) . . ?
C8B C9B H9B 120.4 . . ?
C10B C9B C8B 119.1(9) . . ?
C10B C9B H9B 120.4 . . ?
C9B C10B H10B 119.8 . . ?
C11B C10B C9B 120.5(9) . . ?
C11B C10B H10B 119.8 . . ?
C10B C11B H11B 120.5 . . ?
C10B C11B C12B 119.0(9) . . ?
C12B C11B H11B 120.5 . . ?
N4B C12B C11B 123.2(9) . . ?
N4B C12B H12B 118.4 . . ?
C11B C12B H12B 118.4 . . ?
C14B C13B P1B 121.6(7) . . ?
C14B C13B C18B 118.4(10) . . ?
C18B C13B P1B 119.8(9) . . ?
C13B C14B H14B 119.2 . . ?
C15B C14B C13B 121.6(12) . . ?
C15B C14B H14B 119.2 . . ?
C14B C15B H15B 120.2 . . ?
C14B C15B C16B 119.5(14) . . ?
C16B C15B H15B 120.2 . . ?
C15B C16B H16B 119.6 . . ?
C17B C16B C15B 120.7(12) . . ?
C17B C16B H16B 119.6 . . ?
C16B C17B H17B 120.0 . . ?
C16B C17B C18B 119.9(13) . . ?
C18B C17B H17B 120.0 . . ?
C13B C18B H18B 120.1 . . ?
C17B C18B C13B 119.8(13) . . ?
C17B C18B H18B 120.1 . . ?
C20B C19B P1B 120.9(8) . . ?
C20B C19B C24B 116.9(9) . . ?
C24B C19B P1B 121.2(7) . . ?
C19B C20B H20B 119.3 . . ?
C19B C20B C21B 121.5(12) . . ?
C21B C20B H20B 119.3 . . ?
C20B C21B H21B 119.9 . . ?
C22B C21B C20B 120.2(12) . . ?
C22B C21B H21B 119.9 . . ?
C21B C22B H22B 120.9 . . ?
C21B C22B C23B 118.2(11) . . ?
C23B C22B H22B 120.9 . . ?
C22B C23B H23B 119.4 . . ?
C24B C23B C22B 121.1(12) . . ?
C24B C23B H23B 119.4 . . ?
C19B C24B H24B 119.1 . . ?
C23B C24B C19B 121.9(11) . . ?
C23B C24B H24B 119.1 . . ?
C26B C25B P1B 116.9(7) . . ?
C30B C25B P1B 125.3(8) . . ?
C30B C25B C26B 117.8(9) . . ?
C25B C26B H26B 118.6 . . ?
C25B C26B C27B 122.8(12) . . ?
C27B C26B H26B 118.6 . . ?
C26B C27B H27B 121.3 . . ?
C28B C27B C26B 117.4(15) . . ?
C28B C27B H27B 121.3 . . ?
C27B C28B H28B 119.3 . . ?
C27B C28B C29B 121.5(13) . . ?
C29B C28B H28B 119.3 . . ?
C28B C29B H29B 119.2 . . ?
C30B C29B C28B 121.5(15) . . ?
C30B C29B H29B 119.2 . . ?
C25B C30B H30B 120.5 . . ?
C29B C30B C25B 119.0(13) . . ?
C29B C30B H30B 120.5 . . ?
O1B C31B Ru1B 176.5(9) . . ?
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
Ru1A H 1.52(6) . ?
Ru1A P1A 2.3436(19) . ?
Ru1A N3A 2.241(7) . ?
Ru1A N4A 2.154(7) . ?
Ru1A C1A 2.096(8) . ?
Ru1A C31A 1.855(9) . ?
P1A C13A 1.843(8) . ?
P1A C19A 1.856(8) . ?
P1A C25A 1.831(9) . ?
O1A C31A 1.139(11) . ?
N1A C1A 1.376(10) . ?
N1A C2A 1.400(11) . ?
N1A C4A 1.444(11) . ?
N2A C1A 1.316(11) . ?
N2A C3A 1.373(11) . ?
N2A C5A 1.475(11) . ?
N3A H3A 0.9800 . ?
N3A C6A 1.483(10) . ?
N3A C7A 1.477(11) . ?
N4A C8A 1.338(12) . ?
N4A C12A 1.346(12) . ?
C2A H2A 0.9300 . ?
C2A C3A 1.333(14) . ?
C3A H3AA 0.9300 . ?
C4A H4AA 0.9600 . ?
C4A H4AB 0.9600 . ?
C4A H4AC 0.9600 . ?
C5A H5AA 0.9700 . ?
C5A H5AB 0.9700 . ?
C5A C6A 1.500(13) . ?
C6A H6AA 0.9700 . ?
C6A H6AB 0.9700 . ?
C7A H7AA 0.9700 . ?
C7A H7AB 0.9700 . ?
C7A C8A 1.519(14) . ?
C8A C9A 1.370(12) . ?
C9A H9A 0.9300 . ?
C9A C10A 1.310(13) . ?
C10A H10A 0.9300 . ?
C10A C11A 1.335(16) . ?
C11A H11A 0.9300 . ?
C11A C12A 1.361(15) . ?
C12A H12A 0.9300 . ?
C13A C14A 1.394(12) . ?
C13A C18A 1.406(11) . ?
C14A H14A 0.9300 . ?
C14A C15A 1.295(14) . ?
C15A H15A 0.9300 . ?
C15A C16A 1.394(15) . ?
C16A H16A 0.9300 . ?
C16A C17A 1.366(16) . ?
C17A H17A 0.9300 . ?
C17A C18A 1.349(14) . ?
C18A H18A 0.9300 . ?
C19A C20A 1.355(13) . ?
C19A C24A 1.372(12) . ?
C20A H20A 0.9300 . ?
C20A C21A 1.386(13) . ?
C21A H21A 0.9300 . ?
C21A C22A 1.371(16) . ?
C22A H22A 0.9300 . ?
C22A C23A 1.365(17) . ?
C23A H23A 0.9300 . ?
C23A C24A 1.393(14) . ?
C24A H24A 0.9300 . ?
C25A C26A 1.390(14) . ?
C25A C30A 1.383(13) . ?
C26A H26A 0.9300 . ?
C26A C27A 1.374(16) . ?
C27A H27A 0.9300 . ?
C27A C28A 1.322(19) . ?
C28A H28A 0.9300 . ?
C28A C29A 1.359(19) . ?
C29A H29A 0.9300 . ?
C29A C30A 1.402(14) . ?
C30A H30A 0.9300 . ?
Ru1D HA 1.51(7) . ?
Ru1D P1D 2.348(2) . ?
Ru1D N3D 2.253(7) . ?
Ru1D N4D 2.166(7) . ?
Ru1D C1D 2.092(8) . ?
Ru1D C31D 1.825(10) . ?
P1D C13D 1.829(9) . ?
P1D C19D 1.839(8) . ?
P1D C25D 1.839(9) . ?
O1D C31D 1.144(11) . ?
N1D C1D 1.367(10) . ?
N1D C2D 1.382(11) . ?
N1D C4D 1.459(12) . ?
N2D C1D 1.337(10) . ?
N2D C3D 1.365(11) . ?
N2D C5D 1.438(11) . ?
N3D H3D 0.9800 . ?
N3D C6D 1.498(10) . ?
N3D C7D 1.447(11) . ?
N4D C8D 1.333(12) . ?
N4D C12D 1.325(11) . ?
C2D H2D 0.9300 . ?
C2D C3D 1.336(15) . ?
C3D H3DA 0.9300 . ?
C4D H4DA 0.9600 . ?
C4D H4DB 0.9600 . ?
C4D H4DC 0.9600 . ?
C5D H5DA 0.9700 . ?
C5D H5DB 0.9700 . ?
C5D C6D 1.496(13) . ?
C6D H6DA 0.9700 . ?
C6D H6DB 0.9700 . ?
C7D H7DA 0.9700 . ?
C7D H7DB 0.9700 . ?
C7D C8D 1.502(14) . ?
C8D C9D 1.396(14) . ?
C9D H9D 0.9300 . ?
C9D C10D 1.235(16) . ?
C10D H10D 0.9300 . ?
C10D C11D 1.400(16) . ?
C11D H11D 0.9300 . ?
C11D C12D 1.368(14) . ?
C12D H12D 0.9300 . ?
C13D C14D 1.385(13) . ?
C13D C18D 1.397(12) . ?
C14D H14D 0.9300 . ?
C14D C15D 1.401(13) . ?
C15D H15D 0.9300 . ?
C15D C16D 1.397(16) . ?
C16D H16D 0.9300 . ?
C16D C17D 1.328(17) . ?
C17D H17D 0.9300 . ?
C17D C18D 1.381(15) . ?
C18D H18D 0.9300 . ?
C19D C20D 1.366(13) . ?
C19D C24D 1.418(13) . ?
C20D H20D 0.9300 . ?
C20D C21D 1.362(15) . ?
C21D H21D 0.9300 . ?
C21D C22D 1.331(18) . ?
C22D H22D 0.9300 . ?
C22D C23D 1.348(18) . ?
C23D H23D 0.9300 . ?
C23D C24D 1.397(14) . ?
C24D H24D 0.9300 . ?
C25D C26D 1.384(14) . ?
C25D C30D 1.361(14) . ?
C26D H26D 0.9300 . ?
C26D C27D 1.432(17) . ?
C27D H27D 0.9300 . ?
C27D C28D 1.29(2) . ?
C28D H28D 0.9300 . ?
C28D C29D 1.35(2) . ?
C29D H29D 0.9300 . ?
C29D C30D 1.361(17) . ?
C30D H30D 0.9300 . ?
Ru1C HB 1.51(7) . ?
Ru1C P1C 2.355(2) . ?
Ru1C N3C 2.228(7) . ?
Ru1C N4C 2.148(7) . ?
Ru1C C1C 2.086(8) . ?
Ru1C C31C 1.830(10) . ?
P1C C13C 1.831(10) . ?
P1C C19C 1.832(10) . ?
P1C C25C 1.829(9) . ?
O1C C31C 1.170(11) . ?
N1C C1C 1.338(12) . ?
N1C C2C 1.388(15) . ?
N1C C4C 1.481(15) . ?
N2C C1C 1.353(11) . ?
N2C C3C 1.386(14) . ?
N2C C5C 1.491(15) . ?
N3C H3C 0.9800 . ?
N3C C6C 1.476(11) . ?
N3C C7C 1.476(13) . ?
N4C C8C 1.369(11) . ?
N4C C12C 1.359(10) . ?
C2C H2C 0.9300 . ?
C2C C3C 1.318(19) . ?
C3C H3CA 0.9300 . ?
C4C H4CA 0.9600 . ?
C4C H4CB 0.9600 . ?
C4C H4CC 0.9600 . ?
C5C H5CA 0.9700 . ?
C5C H5CB 0.9700 . ?
C5C C6C 1.477(17) . ?
C6C H6CA 0.9700 . ?
C6C H6CB 0.9700 . ?
C7C H7CA 0.9700 . ?
C7C H7CB 0.9700 . ?
C7C C8C 1.502(12) . ?
C8C C9C 1.356(13) . ?
C9C H9C 0.9300 . ?
C9C C10C 1.413(16) . ?
C10C H10C 0.9300 . ?
C10C C11C 1.350(17) . ?
C11C H11C 0.9300 . ?
C11C C12C 1.374(14) . ?
C12C H12C 0.9300 . ?
C13C C14C 1.334(17) . ?
C13C C18C 1.349(17) . ?
C14C H14C 0.9300 . ?
C14C C15C 1.42(2) . ?
C15C H15C 0.9300 . ?
C15C C16C 1.275(19) . ?
C16C H16C 0.9300 . ?
C16C C17C 1.29(2) . ?
C17C H17C 0.9300 . ?
C17C C18C 1.391(19) . ?
C18C H18C 0.9300 . ?
C19C C20C 1.397(19) . ?
C19C C24C 1.390(16) . ?
C20C H20C 0.9300 . ?
C20C C21C 1.40(2) . ?
C21C H21C 0.9300 . ?
C21C C22C 1.36(2) . ?
C22C H22C 0.9300 . ?
C22C C23C 1.329(19) . ?
C23C H23C 0.9300 . ?
C23C C24C 1.408(16) . ?
C24C H24C 0.9300 . ?
C25C C26C 1.390(13) . ?
C25C C30C 1.389(15) . ?
C26C H26C 0.9300 . ?
C26C C27C 1.386(16) . ?
C27C H27C 0.9300 . ?
C27C C28C 1.356(19) . ?
C28C H28C 0.9300 . ?
C28C C29C 1.38(2) . ?
C29C H29C 0.9300 . ?
C29C C30C 1.384(16) . ?
C30C H30C 0.9300 . ?
Ru1B HC 1.71(8) . ?
Ru1B P1B 2.347(2) . ?
Ru1B N3B 2.259(7) . ?
Ru1B N4B 2.153(7) . ?
Ru1B C1B 2.093(8) . ?
Ru1B C31B 1.860(11) . ?
P1B C13B 1.826(9) . ?
P1B C19B 1.842(9) . ?
P1B C25B 1.834(9) . ?
O1B C31B 1.128(12) . ?
N1B C1B 1.332(11) . ?
N1B C2B 1.390(13) . ?
N1B C4B 1.458(14) . ?
N2B C1B 1.354(11) . ?
N2B C3B 1.357(14) . ?
N2B C5B 1.475(13) . ?
N3B H3B 0.9800 . ?
N3B C6B 1.474(11) . ?
N3B C7B 1.471(12) . ?
N4B C8B 1.356(11) . ?
N4B C12B 1.354(10) . ?
C2B H2B 0.9300 . ?
C2B C3B 1.330(18) . ?
C3B H3BA 0.9300 . ?
C4B H4BA 0.9600 . ?
C4B H4BB 0.9600 . ?
C4B H4BC 0.9600 . ?
C5B H5BA 0.9700 . ?
C5B H5BB 0.9700 . ?
C5B C6B 1.482(15) . ?
C6B H6BA 0.9700 . ?
C6B H6BB 0.9700 . ?
C7B H7BA 0.9700 . ?
C7B H7BB 0.9700 . ?
C7B C8B 1.497(12) . ?
C8B C9B 1.394(13) . ?
C9B H9B 0.9300 . ?
C9B C10B 1.362(14) . ?
C10B H10B 0.9300 . ?
C10B C11B 1.342(14) . ?
C11B H11B 0.9300 . ?
C11B C12B 1.360(13) . ?
C12B H12B 0.9300 . ?
C13B C14B 1.361(14) . ?
C13B C18B 1.404(14) . ?
C14B H14B 0.9300 . ?
C14B C15B 1.359(16) . ?
C15B H15B 0.9300 . ?
C15B C16B 1.37(2) . ?
C16B H16B 0.9300 . ?
C16B C17B 1.35(2) . ?
C17B H17B 0.9300 . ?
C17B C18B 1.377(17) . ?
C18B H18B 0.9300 . ?
C19B C20B 1.347(13) . ?
C19B C24B 1.392(14) . ?
C20B H20B 0.9300 . ?
C20B C21B 1.402(17) . ?
C21B H21B 0.9300 . ?
C21B C22B 1.358(19) . ?
C22B H22B 0.9300 . ?
C22B C23B 1.371(17) . ?
C23B H23B 0.9300 . ?
C23B C24B 1.347(14) . ?
C24B H24B 0.9300 . ?
C25B C26B 1.389(12) . ?
C25B C30B 1.387(14) . ?
C26B H26B 0.9300 . ?
C26B C27B 1.407(15) . ?
C27B H27B 0.9300 . ?
C27B C28B 1.30(2) . ?
C28B H28B 0.9300 . ?
C28B C29B 1.41(2) . ?
C29B H29B 0.9300 . ?
C29B C30B 1.348(16) . ?
C30B H30B 0.9300 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1A P1A C13A C14A -13.8(8) . . . . ?
Ru1A P1A C13A C18A 166.8(7) . . . . ?
Ru1A P1A C19A C20A 13.0(8) . . . . ?
Ru1A P1A C19A C24A -166.6(7) . . . . ?
Ru1A P1A C25A C26A -78.2(8) . . . . ?
Ru1A P1A C25A C30A 97.5(7) . . . . ?
Ru1A N3A C6A C5A 46.8(9) . . . . ?
Ru1A N3A C7A C8A 45.9(8) . . . . ?
Ru1A N4A C8A C7A 4.7(10) . . . . ?
Ru1A N4A C8A C9A -177.5(7) . . . . ?
Ru1A N4A C12A C11A 177.0(7) . . . . ?
P1A C13A C14A C15A -176.6(8) . . . . ?
P1A C13A C18A C17A 178.0(9) . . . . ?
P1A C19A C20A C21A 179.5(8) . . . . ?
P1A C19A C24A C23A -179.7(8) . . . . ?
P1A C25A C26A C27A 180.0(10) . . . . ?
P1A C25A C30A C29A 178.1(7) . . . . ?
N1A C2A C3A N2A -0.6(12) . . . . ?
N2A C5A C6A N3A -76.1(9) . . . . ?
N3A C7A C8A N4A -35.2(10) . . . . ?
N3A C7A C8A C9A 146.9(8) . . . . ?
N4A C8A C9A C10A 9.4(14) . . . . ?
C1A N1A C2A C3A -0.1(12) . . . . ?
C1A N2A C3A C2A 1.1(12) . . . . ?
C1A N2A C5A C6A 49.0(11) . . . . ?
C2A N1A C1A Ru1A 174.9(7) . . . . ?
C2A N1A C1A N2A 0.7(10) . . . . ?
C3A N2A C1A Ru1A -175.7(7) . . . . ?
C3A N2A C1A N1A -1.2(11) . . . . ?
C3A N2A C5A C6A -128.6(9) . . . . ?
C4A N1A C1A Ru1A -3.8(15) . . . . ?
C4A N1A C1A N2A -178.0(10) . . . . ?
C4A N1A C2A C3A 178.7(10) . . . . ?
C5A N2A C1A Ru1A 6.6(12) . . . . ?
C5A N2A C1A N1A -178.8(8) . . . . ?
C5A N2A C3A C2A 178.9(9) . . . . ?
C6A N3A C7A C8A -83.2(8) . . . . ?
C7A N3A C6A C5A 169.0(7) . . . . ?
C7A C8A C9A C10A -172.9(9) . . . . ?
C8A N4A C12A C11A -3.3(13) . . . . ?
C8A C9A C10A C11A -22.2(15) . . . . ?
C9A C10A C11A C12A 21.8(16) . . . . ?
C10A C11A C12A N4A -8.2(15) . . . . ?
C12A N4A C8A C7A -175.0(8) . . . . ?
C12A N4A C8A C9A 2.8(12) . . . . ?
C13A P1A C19A C20A -114.4(7) . . . . ?
C13A P1A C19A C24A 66.0(8) . . . . ?
C13A P1A C25A C26A 48.1(8) . . . . ?
C13A P1A C25A C30A -136.2(7) . . . . ?
C13A C14A C15A C16A 0.5(15) . . . . ?
C14A C13A C18A C17A -1.4(15) . . . . ?
C14A C15A C16A C17A -5.4(16) . . . . ?
C15A C16A C17A C18A 6.8(18) . . . . ?
C16A C17A C18A C13A -3.4(18) . . . . ?
C18A C13A C14A C15A 2.9(14) . . . . ?
C19A P1A C13A C14A 114.8(7) . . . . ?
C19A P1A C13A C18A -64.6(8) . . . . ?
C19A P1A C25A C26A 152.4(8) . . . . ?
C19A P1A C25A C30A -31.9(8) . . . . ?
C19A C20A C21A C22A 0.4(16) . . . . ?
C20A C19A C24A C23A 0.6(15) . . . . ?
C20A C21A C22A C23A 0.3(17) . . . . ?
C21A C22A C23A C24A -0.5(19) . . . . ?
C22A C23A C24A C19A 0.0(18) . . . . ?
C24A C19A C20A C21A -0.9(14) . . . . ?
C25A P1A C13A C14A -139.5(7) . . . . ?
C25A P1A C13A C18A 41.1(8) . . . . ?
C25A P1A C19A C20A 140.7(7) . . . . ?
C25A P1A C19A C24A -38.9(9) . . . . ?
C25A C26A C27A C28A 0(2) . . . . ?
C26A C25A C30A C29A -6.1(14) . . . . ?
C26A C27A C28A C29A -3(2) . . . . ?
C27A C28A C29A C30A 1(2) . . . . ?
C28A C29A C30A C25A 3.8(16) . . . . ?
C30A C25A C26A C27A 4.1(16) . . . . ?
Ru1D P1D C13D C14D 15.0(8) . . . . ?
Ru1D P1D C13D C18D -165.6(7) . . . . ?
Ru1D P1D C19D C20D 165.4(8) . . . . ?
Ru1D P1D C19D C24D -17.5(9) . . . . ?
Ru1D P1D C25D C26D -78.7(8) . . . . ?
Ru1D P1D C25D C30D 98.0(8) . . . . ?
Ru1D N3D C6D C5D 46.8(9) . . . . ?
Ru1D N3D C7D C8D 45.1(8) . . . . ?
Ru1D N4D C8D C7D 6.4(9) . . . . ?
Ru1D N4D C8D C9D -177.2(8) . . . . ?
Ru1D N4D C12D C11D 176.6(7) . . . . ?
P1D C13D C14D C15D -177.4(7) . . . . ?
P1D C13D C18D C17D 177.1(9) . . . . ?
P1D C19D C20D C21D 178.7(11) . . . . ?
P1D C19D C24D C23D -179.3(8) . . . . ?
P1D C25D C26D C27D 174.8(11) . . . . ?
P1D C25D C30D C29D -176.1(9) . . . . ?
N1D C2D C3D N2D -0.3(12) . . . . ?
N2D C5D C6D N3D -77.6(9) . . . . ?
N3D C7D C8D N4D -36.2(10) . . . . ?
N3D C7D C8D C9D 147.4(9) . . . . ?
N4D C8D C9D C10D 5.6(16) . . . . ?
C1D N1D C2D C3D 0.2(12) . . . . ?
C1D N2D C3D C2D 0.4(12) . . . . ?
C1D N2D C5D C6D 51.0(11) . . . . ?
C2D N1D C1D Ru1D 174.9(7) . . . . ?
C2D N1D C1D N2D 0.0(10) . . . . ?
C3D N2D C1D Ru1D -175.6(7) . . . . ?
C3D N2D C1D N1D -0.2(10) . . . . ?
C3D N2D C5D C6D -129.0(9) . . . . ?
C4D N1D C1D Ru1D -4.0(14) . . . . ?
C4D N1D C1D N2D -178.9(9) . . . . ?
C4D N1D C2D C3D 179.2(10) . . . . ?
C5D N2D C1D Ru1D 4.4(11) . . . . ?
C5D N2D C1D N1D 179.8(8) . . . . ?
C5D N2D C3D C2D -179.6(9) . . . . ?
C6D N3D C7D C8D -81.3(9) . . . . ?
C7D N3D C6D C5D 167.3(7) . . . . ?
C7D C8D C9D C10D -178.1(10) . . . . ?
C8D N4D C12D C11D -0.5(13) . . . . ?
C8D C9D C10D C11D -13(2) . . . . ?
C9D C10D C11D C12D 12.2(19) . . . . ?
C10D C11D C12D N4D -4.3(14) . . . . ?
C12D N4D C8D C7D -176.3(7) . . . . ?
C12D N4D C8D C9D 0.2(13) . . . . ?
C13D P1D C19D C20D -63.7(10) . . . . ?
C13D P1D C19D C24D 113.3(8) . . . . ?
C13D P1D C25D C26D 152.8(8) . . . . ?
C13D P1D C25D C30D -30.5(9) . . . . ?
C13D C14D C15D C16D -0.7(15) . . . . ?
C14D C13D C18D C17D -3.5(16) . . . . ?
C14D C15D C16D C17D -1.5(18) . . . . ?
C15D C16D C17D C18D 1(2) . . . . ?
C16D C17D C18D C13D 1(2) . . . . ?
C18D C13D C14D C15D 3.2(14) . . . . ?
C19D P1D C13D C14D -115.6(7) . . . . ?
C19D P1D C13D C18D 63.8(9) . . . . ?
C19D P1D C25D C26D 47.8(9) . . . . ?
C19D P1D C25D C30D -135.5(8) . . . . ?
C19D C20D C21D C22D 1(2) . . . . ?
C20D C19D C24D C23D -2.1(15) . . . . ?
C20D C21D C22D C23D -3(2) . . . . ?
C21D C22D C23D C24D 2(2) . . . . ?
C22D C23D C24D C19D 0.2(17) . . . . ?
C24D C19D C20D C21D 1.6(18) . . . . ?
C25D P1D C13D C14D 141.4(7) . . . . ?
C25D P1D C13D C18D -39.1(9) . . . . ?
C25D P1D C19D C20D 40.9(10) . . . . ?
C25D P1D C19D C24D -142.1(8) . . . . ?
C25D C26D C27D C28D 4(2) . . . . ?
C26D C25D C30D C29D 0.6(16) . . . . ?
C26D C27D C28D C29D -5(3) . . . . ?
C27D C28D C29D C30D 3(3) . . . . ?
C28D C29D C30D C25D -1(2) . . . . ?
C30D C25D C26D C27D -2.0(17) . . . . ?
Ru1C P1C C13C C14C 119.8(13) . . . . ?
Ru1C P1C C13C C18C -45.5(13) . . . . ?
Ru1C P1C C19C C20C 113.2(10) . . . . ?
Ru1C P1C C19C C24C -66.4(8) . . . . ?
Ru1C P1C C25C C26C -27.6(10) . . . . ?
Ru1C P1C C25C C30C 157.8(10) . . . . ?
Ru1C N3C C6C C5C -43.4(10) . . . . ?
Ru1C N3C C7C C8C -45.0(8) . . . . ?
Ru1C N4C C8C C7C -7.4(10) . . . . ?
Ru1C N4C C8C C9C 176.7(8) . . . . ?
Ru1C N4C C12C C11C -174.7(8) . . . . ?
P1C C13C C14C C15C -168.4(14) . . . . ?
P1C C13C C18C C17C 176.1(15) . . . . ?
P1C C19C C20C C21C 179.4(11) . . . . ?
P1C C19C C24C C23C -178.6(9) . . . . ?
P1C C25C C26C C27C -176.3(9) . . . . ?
P1C C25C C30C C29C 174.6(12) . . . . ?
N1C C2C C3C N2C 0.0(15) . . . . ?
N2C C5C C6C N3C 76.6(10) . . . . ?
N3C C7C C8C N4C 36.0(11) . . . . ?
N3C C7C C8C C9C -148.1(10) . . . . ?
N4C C8C C9C C10C -3.4(16) . . . . ?
C1C N1C C2C C3C 0.3(14) . . . . ?
C1C N2C C3C C2C -0.3(15) . . . . ?
C1C N2C C5C C6C -51.6(13) . . . . ?
C2C N1C C1C Ru1C -173.1(8) . . . . ?
C2C N1C C1C N2C -0.5(11) . . . . ?
C3C N2C C1C Ru1C 174.0(8) . . . . ?
C3C N2C C1C N1C 0.5(12) . . . . ?
C3C N2C C5C C6C 128.8(11) . . . . ?
C4C N1C C1C Ru1C 7.2(15) . . . . ?
C4C N1C C1C N2C 179.8(10) . . . . ?
C4C N1C C2C C3C -180.0(12) . . . . ?
C5C N2C C1C Ru1C -5.6(14) . . . . ?
C5C N2C C1C N1C -179.1(9) . . . . ?
C5C N2C C3C C2C 179.3(11) . . . . ?
C6C N3C C7C C8C 83.5(9) . . . . ?
C7C N3C C6C C5C -165.0(8) . . . . ?
C7C C8C C9C C10C -178.8(10) . . . . ?
C8C N4C C12C C11C -0.3(14) . . . . ?
C8C C9C C10C C11C 3.5(18) . . . . ?
C9C C10C C11C C12C -2.2(19) . . . . ?
C10C C11C C12C N4C 0.6(17) . . . . ?
C12C N4C C8C C7C 177.7(8) . . . . ?
C12C N4C C8C C9C 1.9(14) . . . . ?
C13C P1C C19C C20C -8.1(11) . . . . ?
C13C P1C C19C C24C 172.3(8) . . . . ?
C13C P1C C25C C26C 94.7(9) . . . . ?
C13C P1C C25C C30C -79.9(11) . . . . ?
C13C C14C C15C C16C -12(3) . . . . ?
C14C C13C C18C C17C 9(3) . . . . ?
C14C C15C C16C C17C 17(3) . . . . ?
C15C C16C C17C C18C -10(3) . . . . ?
C16C C17C C18C C13C -3(3) . . . . ?
C18C C13C C14C C15C -2(2) . . . . ?
C19C P1C C13C C14C -114.9(14) . . . . ?
C19C P1C C13C C18C 79.8(13) . . . . ?
C19C P1C C25C C26C -159.8(8) . . . . ?
C19C P1C C25C C30C 25.6(12) . . . . ?
C19C C20C C21C C22C 0(2) . . . . ?
C20C C19C C24C C23C 1.8(16) . . . . ?
C20C C21C C22C C23C 0(2) . . . . ?
C21C C22C C23C C24C 1(2) . . . . ?
C22C C23C C24C C19C -2(2) . . . . ?
C24C C19C C20C C21C -1.0(19) . . . . ?
C25C P1C C13C C14C -12.0(14) . . . . ?
C25C P1C C13C C18C -177.3(12) . . . . ?
C25C P1C C19C C20C -110.0(10) . . . . ?
C25C P1C C19C C24C 70.4(8) . . . . ?
C25C C26C C27C C28C 2.4(19) . . . . ?
C26C C25C C30C C29C 0(2) . . . . ?
C26C C27C C28C C29C -2(2) . . . . ?
C27C C28C C29C C30C 0(2) . . . . ?
C28C C29C C30C C25C 1(3) . . . . ?
C30C C25C C26C C27C -1.4(17) . . . . ?
Ru1B P1B C13B C14B -20.7(10) . . . . ?
Ru1B P1B C13B C18B 165.2(8) . . . . ?
Ru1B P1B C19B C20B 89.7(9) . . . . ?
Ru1B P1B C19B C24B -78.8(7) . . . . ?
Ru1B P1B C25B C26B -36.0(9) . . . . ?
Ru1B P1B C25B C30B 146.1(10) . . . . ?
Ru1B N3B C6B C5B -43.0(9) . . . . ?
Ru1B N3B C7B C8B -41.5(8) . . . . ?
Ru1B N4B C8B C7B -5.1(10) . . . . ?
Ru1B N4B C8B C9B 178.0(7) . . . . ?
Ru1B N4B C12B C11B -177.9(7) . . . . ?
P1B C13B C14B C15B -175.0(11) . . . . ?
P1B C13B C18B C17B 174.1(10) . . . . ?
P1B C19B C20B C21B -172.4(10) . . . . ?
P1B C19B C24B C23B 169.4(8) . . . . ?
P1B C25B C26B C27B -177.0(9) . . . . ?
P1B C25B C30B C29B 178.6(11) . . . . ?
N1B C2B C3B N2B -2.1(15) . . . . ?
N2B C5B C6B N3B 77.8(10) . . . . ?
N3B C7B C8B N4B 32.9(11) . . . . ?
N3B C7B C8B C9B -150.4(9) . . . . ?
N4B C8B C9B C10B 0.2(14) . . . . ?
C1B N1B C2B C3B 1.3(14) . . . . ?
C1B N2B C3B C2B 2.3(15) . . . . ?
C1B N2B C5B C6B -53.6(13) . . . . ?
C2B N1B C1B Ru1B -176.3(8) . . . . ?
C2B N1B C1B N2B 0.1(11) . . . . ?
C3B N2B C1B Ru1B 175.4(8) . . . . ?
C3B N2B C1B N1B -1.4(12) . . . . ?
C3B N2B C5B C6B 127.9(11) . . . . ?
C4B N1B C1B Ru1B 5.0(15) . . . . ?
C4B N1B C1B N2B -178.5(10) . . . . ?
C4B N1B C2B C3B 180.0(11) . . . . ?
C5B N2B C1B Ru1B -3.2(13) . . . . ?
C5B N2B C1B N1B 179.9(9) . . . . ?
C5B N2B C3B C2B -179.1(11) . . . . ?
C6B N3B C7B C8B 85.7(9) . . . . ?
C7B N3B C6B C5B -163.9(7) . . . . ?
C7B C8B C9B C10B -176.3(9) . . . . ?
C8B N4B C12B C11B -1.8(13) . . . . ?
C8B C9B C10B C11B -1.9(16) . . . . ?
C9B C10B C11B C12B 1.7(16) . . . . ?
C10B C11B C12B N4B 0.2(15) . . . . ?
C12B N4B C8B C7B 178.3(8) . . . . ?
C12B N4B C8B C9B 1.5(12) . . . . ?
C13B P1B C19B C20B -34.1(9) . . . . ?
C13B P1B C19B C24B 157.4(7) . . . . ?
C13B P1B C25B C26B 93.7(8) . . . . ?
C13B P1B C25B C30B -84.2(11) . . . . ?
C13B C14B C15B C16B 0(2) . . . . ?
C14B C13B C18B C17B -0.2(18) . . . . ?
C14B C15B C16B C17B 1(3) . . . . ?
C15B C16B C17B C18B -2(3) . . . . ?
C16B C17B C18B C13B 1(2) . . . . ?
C18B C13B C14B C15B -0.8(19) . . . . ?
C19B P1B C13B C14B 100.0(9) . . . . ?
C19B P1B C13B C18B -74.1(9) . . . . ?
C19B P1B C25B C26B -161.1(8) . . . . ?
C19B P1B C25B C30B 21.0(11) . . . . ?
C19B C20B C21B C22B 5(2) . . . . ?
C20B C19B C24B C23B 0.5(15) . . . . ?
C20B C21B C22B C23B -4(2) . . . . ?
C21B C22B C23B C24B 1(2) . . . . ?
C22B C23B C24B C19B 0.8(17) . . . . ?
C24B C19B C20B C21B -3.4(17) . . . . ?
C25B P1B C13B C14B -153.4(9) . . . . ?
C25B P1B C13B C18B 32.5(10) . . . . ?
C25B P1B C19B C20B -139.4(9) . . . . ?
C25B P1B C19B C24B 52.0(8) . . . . ?
C25B C26B C27B C28B -2(2) . . . . ?
C26B C25B C30B C29B 0.7(19) . . . . ?
C26B C27B C28B C29B 2(2) . . . . ?
C27B C28B C29B C30B 0(2) . . . . ?
C28B C29B C30B C25B -1(2) . . . . ?
C30B C25B C26B C27B 1.1(17) . . . . ?
