#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:29:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179181 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/29/4312927.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_4312927
loop_
_publ_author_name
'Vincent J. Catalano'
'Tegan J. Craig'
_publ_contact_author_address
;
Department of Chemistry
University of Nevada
Reno, NV  89557
;
_publ_contact_author_email       vjc@unr.edu
_publ_contact_author_name        'Professor Vincent J. Catalano'
_publ_contact_author_phone       '775 784 1329'
_publ_section_title
;
 Monometallic and Dimetallic Ruthenium(II)-Terpyridine Complexes Employing
 the Tetradentate Ligands Dipyridylpyrazolyl, Dipyridyloxadiazole, and
 Their Dimethyl Derivatives
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              321
_journal_page_last               334
_journal_paper_doi               10.1021/ic020489s
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C33 H31 Cl F6 N7 O P Ru'
_chemical_formula_weight         823.14
_chemical_name_common            1c
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.620(8)
_cell_angle_beta                 99.414(9)
_cell_angle_gamma                95.211(8)
_cell_formula_units_Z            2
_cell_length_a                   8.9129(10)
_cell_length_b                   12.8215(14)
_cell_length_c                   15.9273(18)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      11.52
_cell_measurement_theta_min      4.77
_cell_volume                     1720.7(3)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0686
_diffrn_reflns_av_sigmaI/netI    0.1084
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5512
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.83
_diffrn_standards_interval_count 98
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.652
_exptl_absorpt_correction_T_max  0.8708
_exptl_absorpt_correction_T_min  0.7645
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       triangular_fragmen
_exptl_crystal_F_000             832
_exptl_crystal_size_max          .22
_exptl_crystal_size_mid          .36
_exptl_crystal_size_min          .28
_refine_diff_density_max         1.105
_refine_diff_density_min         -0.499
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         4468
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0966
_refine_ls_R_factor_gt           0.0594
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0631P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1300
_refine_ls_wR_factor_ref         0.1470
_reflns_number_gt                3207
_reflns_number_total             4468
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020489s_s1.cif
_cod_data_source_block           vjc201
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4312927
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.37801(8) 0.63988(5) 0.72325(4) 0.0212(2) Uani 1 1 d . . .
Cl1 Cl 0.2163(2) 0.70002(17) 0.61366(14) 0.0326(5) Uani 1 1 d . . .
P1 P -0.4088(3) 1.1835(2) 0.76683(17) 0.0423(7) Uani 1 1 d . . .
F1 F -0.2596(7) 1.1409(5) 0.7369(4) 0.078(2) Uani 1 1 d . . .
F2 F -0.4560(12) 1.0797(5) 0.7946(5) 0.121(3) Uani 1 1 d . . .
F3 F -0.5562(7) 1.2340(6) 0.7915(4) 0.084(2) Uani 1 1 d . . .
F4 F -0.4990(7) 1.1298(5) 0.6687(4) 0.0709(19) Uani 1 1 d . . .
F5 F -0.3573(7) 1.2916(4) 0.7406(4) 0.0655(17) Uani 1 1 d . . .
F6 F -0.3176(7) 1.2404(5) 0.8654(4) 0.0656(17) Uani 1 1 d . . .
N1 N 0.4995(7) 0.6135(5) 0.8369(4) 0.0237(16) Uani 1 1 d . . .
N2 N 0.3404(7) 0.7662(5) 0.8224(4) 0.0222(15) Uani 1 1 d . . .
N3 N 0.2618(7) 0.8509(5) 0.8263(4) 0.0262(16) Uani 1 1 d . . .
H3A H 0.2075 0.8648 0.7800 0.031 Uiso 1 1 calc R . .
N4 N 0.1105(9) 1.0218(6) 0.8532(5) 0.0407(19) Uani 1 1 d . . .
N5 N 0.1989(7) 0.5210(5) 0.7140(4) 0.0248(16) Uani 1 1 d . . .
N6 N 0.4399(7) 0.5152(5) 0.6442(4) 0.0235(16) Uani 1 1 d . . .
N7 N 0.5721(7) 0.7136(5) 0.6943(4) 0.0257(16) Uani 1 1 d . . .
C1 C 0.5797(8) 0.5279(6) 0.8401(5) 0.0248(19) Uani 1 1 d . . .
H1A H 0.5818 0.4752 0.7865 0.030 Uiso 1 1 calc R . .
C2 C 0.6568(9) 0.5157(6) 0.9181(6) 0.030(2) Uani 1 1 d . . .
H2A H 0.7078 0.4537 0.9175 0.037 Uiso 1 1 calc R . .
C3 C 0.6617(9) 0.5921(7) 0.9974(6) 0.031(2) Uani 1 1 d . . .
C3S C 0.1535(12) 0.0200(9) 0.6394(6) 0.059(3) Uani 1 1 d . . .
H3SA H 0.0989 0.0810 0.6616 0.088 Uiso 1 1 calc R . .
H3SB H 0.2496 0.0253 0.6811 0.088 Uiso 1 1 calc R . .
H3SC H 0.0891 -0.0488 0.6331 0.088 Uiso 1 1 calc R . .
C4 C 0.5778(9) 0.6791(6) 0.9945(5) 0.0246(19) Uani 1 1 d . . .
H4B H 0.5750 0.7325 1.0476 0.029 Uiso 1 1 calc R . .
C5 C 0.4994(8) 0.6873(6) 0.9148(5) 0.0217(18) Uani 1 1 d . . .
C6 C 0.4064(9) 0.7733(6) 0.9057(5) 0.0222(18) Uani 1 1 d . . .
C7 C 0.3687(9) 0.8645(6) 0.9638(5) 0.028(2) Uani 1 1 d . . .
H7A H 0.4002 0.8880 1.0263 0.034 Uiso 1 1 calc R . .
C8 C 0.2770(9) 0.9126(6) 0.9113(5) 0.028(2) Uani 1 1 d . . .
C9 C 0.1906(9) 1.0064(6) 0.9268(5) 0.0252(19) Uani 1 1 d . . .
C10 C 0.1941(9) 1.0720(6) 1.0117(5) 0.0260(19) Uani 1 1 d . . .
H10A H 0.2553 1.0587 1.0616 0.031 Uiso 1 1 calc R . .
C11 C 0.1062(9) 1.1576(6) 1.0221(6) 0.029(2) Uani 1 1 d . . .
C12 C 0.0222(10) 1.1736(7) 0.9460(6) 0.035(2) Uani 1 1 d . . .
H12A H -0.0395 1.2307 0.9496 0.042 Uiso 1 1 calc R . .
C13 C 0.0297(11) 1.1056(8) 0.8652(6) 0.047(3) Uani 1 1 d . . .
H13A H -0.0269 1.1192 0.8140 0.056 Uiso 1 1 calc R . .
C14 C 0.7503(10) 0.5834(7) 1.0836(6) 0.036(2) Uani 1 1 d . . .
H14A H 0.8017 0.5182 1.0730 0.054 Uiso 1 1 calc R . .
H14B H 0.6796 0.5783 1.1240 0.054 Uiso 1 1 calc R . .
H14C H 0.8272 0.6480 1.1100 0.054 Uiso 1 1 calc R . .
C15 C 0.1024(10) 1.2296(7) 1.1128(6) 0.040(2) Uani 1 1 d . . .
H15A H 0.0348 1.2845 1.1068 0.060 Uiso 1 1 calc R . .
H15B H 0.2064 1.2658 1.1417 0.060 Uiso 1 1 calc R . .
H15C H 0.0637 1.1852 1.1485 0.060 Uiso 1 1 calc R . .
C16 C 0.0711(9) 0.5311(7) 0.7488(5) 0.027(2) Uani 1 1 d . . .
H16A H 0.0600 0.6003 0.7847 0.033 Uiso 1 1 calc R . .
C17 C -0.0441(10) 0.4458(7) 0.7347(6) 0.037(2) Uani 1 1 d . . .
H17A H -0.1320 0.4563 0.7608 0.045 Uiso 1 1 calc R . .
C18 C -0.0305(10) 0.3448(7) 0.6822(6) 0.039(2) Uani 1 1 d . . .
H18A H -0.1075 0.2844 0.6725 0.047 Uiso 1 1 calc R . .
C19 C 0.0984(9) 0.3337(7) 0.6440(6) 0.034(2) Uani 1 1 d . . .
H19A H 0.1090 0.2656 0.6062 0.041 Uiso 1 1 calc R . .
C20 C 0.2107(9) 0.4213(7) 0.6611(5) 0.0262(19) Uani 1 1 d . . .
C21 C 0.3526(9) 0.4169(6) 0.6234(5) 0.0228(19) Uani 1 1 d . . .
C22 C 0.4024(9) 0.3264(7) 0.5757(5) 0.028(2) Uani 1 1 d . . .
H22A H 0.3428 0.2569 0.5625 0.034 Uiso 1 1 calc R . .
C23 C 0.5407(10) 0.3366(7) 0.5468(5) 0.032(2) Uani 1 1 d . . .
H23A H 0.5735 0.2747 0.5115 0.038 Uiso 1 1 calc R . .
C24 C 0.6308(9) 0.4378(7) 0.5697(5) 0.031(2) Uani 1 1 d . . .
H24A H 0.7269 0.4457 0.5518 0.037 Uiso 1 1 calc R . .
C25 C 0.5767(8) 0.5269(6) 0.6192(5) 0.0214(18) Uani 1 1 d . . .
C26 C 0.6522(9) 0.6414(6) 0.6469(5) 0.0242(19) Uani 1 1 d . . .
C27 C 0.7892(9) 0.6767(7) 0.6252(6) 0.031(2) Uani 1 1 d . . .
H27A H 0.8474 0.6254 0.5962 0.037 Uiso 1 1 calc R . .
C28 C 0.8402(10) 0.7865(7) 0.6458(6) 0.038(2) Uani 1 1 d . . .
H28A H 0.9330 0.8117 0.6308 0.046 Uiso 1 1 calc R . .
C29 C 0.7541(9) 0.8591(7) 0.6886(6) 0.037(2) Uani 1 1 d . . .
H29A H 0.7852 0.9352 0.7016 0.045 Uiso 1 1 calc R . .
C30 C 0.6214(10) 0.8200(7) 0.7127(6) 0.033(2) Uani 1 1 d . . .
H30A H 0.5639 0.8706 0.7433 0.039 Uiso 1 1 calc R . .
O1S O 0.1571(8) 0.0936(5) 0.5163(4) 0.0505(18) Uani 1 1 d . . .
C1S C 0.2720(13) -0.0660(8) 0.5083(8) 0.068(3) Uani 1 1 d . . .
H1SA H 0.2891 -0.0567 0.4513 0.101 Uiso 1 1 calc R . .
H1SB H 0.2102 -0.1366 0.4991 0.101 Uiso 1 1 calc R . .
H1SC H 0.3711 -0.0629 0.5468 0.101 Uiso 1 1 calc R . .
C2S C 0.1885(10) 0.0236(7) 0.5513(6) 0.039(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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N6 Ru1 N2 170.3(3) . . ?
N6 Ru1 N5 79.6(3) . . ?
N2 Ru1 N5 102.3(2) . . ?
N6 Ru1 N7 79.5(3) . . ?
N2 Ru1 N7 99.0(3) . . ?
N5 Ru1 N7 158.6(2) . . ?
N6 Ru1 N1 94.0(3) . . ?
N2 Ru1 N1 76.5(2) . . ?
N5 Ru1 N1 92.6(2) . . ?
N7 Ru1 N1 93.0(2) . . ?
N6 Ru1 Cl1 98.31(19) . . ?
N2 Ru1 Cl1 91.24(18) . . ?
N5 Ru1 Cl1 88.14(18) . . ?
N7 Ru1 Cl1 90.78(18) . . ?
N1 Ru1 Cl1 167.62(18) . . ?
F2 P1 F3 92.0(5) . . ?
F2 P1 F1 93.1(5) . . ?
F3 P1 F1 174.6(4) . . ?
F2 P1 F4 91.4(4) . . ?
F3 P1 F4 90.0(4) . . ?
F1 P1 F4 88.3(3) . . ?
F2 P1 F5 178.5(4) . . ?
F3 P1 F5 88.2(4) . . ?
F1 P1 F5 86.7(4) . . ?
F4 P1 F5 90.1(4) . . ?
F2 P1 F6 89.9(4) . . ?
F3 P1 F6 89.6(4) . . ?
F1 P1 F6 92.0(4) . . ?
F4 P1 F6 178.6(4) . . ?
F5 P1 F6 88.6(3) . . ?
C5 N1 C1 117.2(7) . . ?
C5 N1 Ru1 117.2(5) . . ?
C1 N1 Ru1 125.6(5) . . ?
C6 N2 N3 106.3(6) . . ?
C6 N2 Ru1 118.4(5) . . ?
N3 N2 Ru1 135.3(5) . . ?
N2 N3 C8 111.0(6) . . ?
C13 N4 C9 115.7(8) . . ?
C16 N5 C20 117.3(7) . . ?
C16 N5 Ru1 128.6(6) . . ?
C20 N5 Ru1 114.0(5) . . ?
C25 N6 C21 121.5(7) . . ?
C25 N6 Ru1 119.0(5) . . ?
C21 N6 Ru1 119.2(5) . . ?
C30 N7 C26 118.5(7) . . ?
C30 N7 Ru1 127.9(6) . . ?
C26 N7 Ru1 113.5(5) . . ?
C2 C1 N1 122.2(8) . . ?
C1 C2 C3 121.1(8) . . ?
C2 C3 C4 116.8(8) . . ?
C2 C3 C14 122.4(8) . . ?
C4 C3 C14 120.7(8) . . ?
C5 C4 C3 120.2(8) . . ?
N1 C5 C4 122.5(7) . . ?
N1 C5 C6 113.5(7) . . ?
C4 C5 C6 124.0(7) . . ?
N2 C6 C7 110.3(7) . . ?
N2 C6 C5 114.3(7) . . ?
C7 C6 C5 135.4(8) . . ?
C8 C7 C6 105.3(7) . . ?
N3 C8 C7 107.1(7) . . ?
N3 C8 C9 117.4(7) . . ?
C7 C8 C9 135.4(8) . . ?
N4 C9 C10 123.9(7) . . ?
N4 C9 C8 114.3(7) . . ?
C10 C9 C8 121.7(7) . . ?
C9 C10 C11 119.0(8) . . ?
C12 C11 C10 117.4(8) . . ?
C12 C11 C15 121.4(7) . . ?
C10 C11 C15 121.3(8) . . ?
C13 C12 C11 118.9(8) . . ?
N4 C13 C12 125.1(9) . . ?
N5 C16 C17 123.1(8) . . ?
C18 C17 C16 119.3(8) . . ?
C17 C18 C19 118.4(8) . . ?
C20 C19 C18 119.9(8) . . ?
N5 C20 C19 122.0(7) . . ?
N5 C20 C21 114.4(7) . . ?
C19 C20 C21 123.7(7) . . ?
N6 C21 C22 120.0(7) . . ?
N6 C21 C20 112.8(7) . . ?
C22 C21 C20 127.2(7) . . ?
C21 C22 C23 119.7(8) . . ?
C22 C23 C24 119.9(8) . . ?
C25 C24 C23 118.3(7) . . ?
N6 C25 C24 120.6(7) . . ?
N6 C25 C26 112.9(7) . . ?
C24 C25 C26 126.5(7) . . ?
N7 C26 C27 121.1(7) . . ?
N7 C26 C25 114.3(7) . . ?
C27 C26 C25 124.6(7) . . ?
C28 C27 C26 119.7(8) . . ?
C29 C28 C27 118.9(8) . . ?
C28 C29 C30 119.5(8) . . ?
N7 C30 C29 122.2(8) . . ?
O1S C2S C1S 120.5(9) . . ?
O1S C2S C3S 123.8(9) . . ?
C1S C2S C3S 115.6(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
Ru1 N6 1.954(6) . ?
Ru1 N2 2.052(6) . ?
Ru1 N5 2.064(6) . ?
Ru1 N7 2.069(6) . ?
Ru1 N1 2.073(6) . ?
Ru1 Cl1 2.404(2) . ?
P1 F2 1.549(7) . ?
P1 F3 1.579(6) . ?
P1 F1 1.582(6) . ?
P1 F4 1.583(6) . ?
P1 F5 1.596(6) . ?
P1 F6 1.598(6) . ?
N1 C5 1.358(9) . ?
N1 C1 1.369(9) . ?
N2 C6 1.337(9) . ?
N2 N3 1.339(8) . ?
N3 C8 1.364(10) . ?
N4 C13 1.339(11) . ?
N4 C9 1.339(10) . ?
N5 C16 1.348(9) . ?
N5 C20 1.366(10) . ?
N6 C25 1.350(9) . ?
N6 C21 1.353(9) . ?
N7 C30 1.337(10) . ?
N7 C26 1.371(10) . ?
C1 C2 1.370(11) . ?
C2 C3 1.381(11) . ?
C3 C4 1.405(11) . ?
C3 C14 1.503(11) . ?
C3S C2S 1.497(13) . ?
C4 C5 1.378(10) . ?
C5 C6 1.461(10) . ?
C6 C7 1.401(11) . ?
C7 C8 1.370(11) . ?
C8 C9 1.477(11) . ?
C9 C10 1.394(11) . ?
C10 C11 1.397(11) . ?
C11 C12 1.390(11) . ?
C11 C15 1.513(11) . ?
C12 C13 1.376(12) . ?
C16 C17 1.378(11) . ?
C17 C18 1.380(12) . ?
C18 C19 1.387(12) . ?
C19 C20 1.375(11) . ?
C20 C21 1.486(10) . ?
C21 C22 1.371(11) . ?
C22 C23 1.391(11) . ?
C23 C24 1.392(11) . ?
C24 C25 1.389(11) . ?
C25 C26 1.483(11) . ?
C26 C27 1.391(11) . ?
C27 C28 1.377(11) . ?
C28 C29 1.379(12) . ?
C29 C30 1.391(11) . ?
O1S C2S 1.201(10) . ?
C1S C2S 1.506(13) . ?
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
N6 Ru1 N1 C5 176.5(5) . . . . ?
N2 Ru1 N1 C5 -1.6(5) . . . . ?
N5 Ru1 N1 C5 -103.7(5) . . . . ?
N7 Ru1 N1 C5 96.9(5) . . . . ?
Cl1 Ru1 N1 C5 -10.4(12) . . . . ?
N6 Ru1 N1 C1 -3.6(6) . . . . ?
N2 Ru1 N1 C1 178.2(6) . . . . ?
N5 Ru1 N1 C1 76.1(6) . . . . ?
N7 Ru1 N1 C1 -83.2(6) . . . . ?
Cl1 Ru1 N1 C1 169.4(6) . . . . ?
N6 Ru1 N2 C6 -10.1(18) . . . . ?
N5 Ru1 N2 C6 90.6(6) . . . . ?
N7 Ru1 N2 C6 -90.1(6) . . . . ?
N1 Ru1 N2 C6 0.8(5) . . . . ?
Cl1 Ru1 N2 C6 178.9(5) . . . . ?
N6 Ru1 N2 N3 169.3(12) . . . . ?
N5 Ru1 N2 N3 -90.0(7) . . . . ?
N7 Ru1 N2 N3 89.3(7) . . . . ?
N1 Ru1 N2 N3 -179.8(7) . . . . ?
Cl1 Ru1 N2 N3 -1.7(7) . . . . ?
C6 N2 N3 C8 0.2(8) . . . . ?
Ru1 N2 N3 C8 -179.3(5) . . . . ?
N6 Ru1 N5 C16 -176.0(7) . . . . ?
N2 Ru1 N5 C16 13.7(7) . . . . ?
N7 Ru1 N5 C16 -164.6(6) . . . . ?
N1 Ru1 N5 C16 90.4(7) . . . . ?
Cl1 Ru1 N5 C16 -77.2(6) . . . . ?
N6 Ru1 N5 C20 -0.1(5) . . . . ?
N2 Ru1 N5 C20 -170.5(5) . . . . ?
N7 Ru1 N5 C20 11.3(10) . . . . ?
N1 Ru1 N5 C20 -93.7(6) . . . . ?
Cl1 Ru1 N5 C20 98.7(5) . . . . ?
N2 Ru1 N6 C25 -72.9(17) . . . . ?
N5 Ru1 N6 C25 -175.5(6) . . . . ?
N7 Ru1 N6 C25 8.7(5) . . . . ?
N1 Ru1 N6 C25 -83.6(6) . . . . ?
Cl1 Ru1 N6 C25 97.9(5) . . . . ?
N2 Ru1 N6 C21 100.3(16) . . . . ?
N5 Ru1 N6 C21 -2.3(5) . . . . ?
N7 Ru1 N6 C21 -178.1(6) . . . . ?
N1 Ru1 N6 C21 89.6(6) . . . . ?
Cl1 Ru1 N6 C21 -88.9(5) . . . . ?
N6 Ru1 N7 C30 169.4(7) . . . . ?
N2 Ru1 N7 C30 -20.2(7) . . . . ?
N5 Ru1 N7 C30 158.0(7) . . . . ?
N1 Ru1 N7 C30 -97.1(7) . . . . ?
Cl1 Ru1 N7 C30 71.1(7) . . . . ?
N6 Ru1 N7 C26 -7.3(5) . . . . ?
N2 Ru1 N7 C26 163.0(5) . . . . ?
N5 Ru1 N7 C26 -18.8(10) . . . . ?
N1 Ru1 N7 C26 86.2(5) . . . . ?
Cl1 Ru1 N7 C26 -105.6(5) . . . . ?
C5 N1 C1 C2 0.2(10) . . . . ?
Ru1 N1 C1 C2 -179.7(6) . . . . ?
N1 C1 C2 C3 -2.3(12) . . . . ?
C1 C2 C3 C4 3.1(12) . . . . ?
C1 C2 C3 C14 -177.6(7) . . . . ?
C2 C3 C4 C5 -1.9(11) . . . . ?
C14 C3 C4 C5 178.8(7) . . . . ?
C1 N1 C5 C4 1.1(10) . . . . ?
Ru1 N1 C5 C4 -179.1(6) . . . . ?
C1 N1 C5 C6 -177.7(6) . . . . ?
Ru1 N1 C5 C6 2.1(8) . . . . ?
C3 C4 C5 N1 -0.1(11) . . . . ?
C3 C4 C5 C6 178.5(7) . . . . ?
N3 N2 C6 C7 0.1(8) . . . . ?
Ru1 N2 C6 C7 179.6(5) . . . . ?
N3 N2 C6 C5 -179.5(6) . . . . ?
Ru1 N2 C6 C5 0.1(8) . . . . ?
N1 C5 C6 N2 -1.4(9) . . . . ?
C4 C5 C6 N2 179.8(7) . . . . ?
N1 C5 C6 C7 179.2(8) . . . . ?
C4 C5 C6 C7 0.4(14) . . . . ?
N2 C6 C7 C8 -0.2(9) . . . . ?
C5 C6 C7 C8 179.2(8) . . . . ?
N2 N3 C8 C7 -0.3(9) . . . . ?
N2 N3 C8 C9 -177.2(6) . . . . ?
C6 C7 C8 N3 0.3(9) . . . . ?
C6 C7 C8 C9 176.4(8) . . . . ?
C13 N4 C9 C10 -0.6(13) . . . . ?
C13 N4 C9 C8 179.3(7) . . . . ?
N3 C8 C9 N4 -2.3(10) . . . . ?
C7 C8 C9 N4 -178.1(9) . . . . ?
N3 C8 C9 C10 177.6(7) . . . . ?
C7 C8 C9 C10 1.8(14) . . . . ?
N4 C9 C10 C11 1.8(12) . . . . ?
C8 C9 C10 C11 -178.1(7) . . . . ?
C9 C10 C11 C12 -1.4(11) . . . . ?
C9 C10 C11 C15 178.4(7) . . . . ?
C10 C11 C12 C13 -0.1(12) . . . . ?
C15 C11 C12 C13 -179.9(8) . . . . ?
C9 N4 C13 C12 -1.0(14) . . . . ?
C11 C12 C13 N4 1.4(15) . . . . ?
C20 N5 C16 C17 1.4(12) . . . . ?
Ru1 N5 C16 C17 177.1(6) . . . . ?
N5 C16 C17 C18 -0.4(13) . . . . ?
C16 C17 C18 C19 -1.2(13) . . . . ?
C17 C18 C19 C20 1.9(14) . . . . ?
C16 N5 C20 C19 -0.6(12) . . . . ?
Ru1 N5 C20 C19 -177.0(6) . . . . ?
C16 N5 C20 C21 178.6(6) . . . . ?
Ru1 N5 C20 C21 2.3(9) . . . . ?
C18 C19 C20 N5 -1.0(13) . . . . ?
C18 C19 C20 C21 179.8(8) . . . . ?
C25 N6 C21 C22 -0.1(11) . . . . ?
Ru1 N6 C21 C22 -173.2(6) . . . . ?
C25 N6 C21 C20 177.1(7) . . . . ?
Ru1 N6 C21 C20 4.1(9) . . . . ?
N5 C20 C21 N6 -4.0(10) . . . . ?
C19 C20 C21 N6 175.2(7) . . . . ?
N5 C20 C21 C22 173.0(8) . . . . ?
C19 C20 C21 C22 -7.8(13) . . . . ?
N6 C21 C22 C23 -1.8(12) . . . . ?
C20 C21 C22 C23 -178.7(8) . . . . ?
C21 C22 C23 C24 2.8(13) . . . . ?
C22 C23 C24 C25 -1.8(12) . . . . ?
C21 N6 C25 C24 1.1(11) . . . . ?
Ru1 N6 C25 C24 174.2(6) . . . . ?
C21 N6 C25 C26 178.7(7) . . . . ?
Ru1 N6 C25 C26 -8.2(8) . . . . ?
C23 C24 C25 N6 -0.1(11) . . . . ?
C23 C24 C25 C26 -177.4(7) . . . . ?
C30 N7 C26 C27 5.7(11) . . . . ?
Ru1 N7 C26 C27 -177.2(6) . . . . ?
C30 N7 C26 C25 -171.9(7) . . . . ?
Ru1 N7 C26 C25 5.2(8) . . . . ?
N6 C25 C26 N7 1.5(10) . . . . ?
C24 C25 C26 N7 178.9(7) . . . . ?
N6 C25 C26 C27 -176.0(7) . . . . ?
C24 C25 C26 C27 1.4(13) . . . . ?
N7 C26 C27 C28 -4.8(12) . . . . ?
C25 C26 C27 C28 172.6(8) . . . . ?
C26 C27 C28 C29 0.6(13) . . . . ?
C27 C28 C29 C30 2.3(13) . . . . ?
C26 N7 C30 C29 -2.7(12) . . . . ?
Ru1 N7 C30 C29 -179.4(6) . . . . ?
C28 C29 C30 N7 -1.3(13) . . . . ?
