#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:22:13 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179892 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/88/7018800.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_7018800
loop_
_publ_author_name
'Xiang, Jing'
'Jia, Li-Hui'
'Man, Wai-Lun'
'Qian, Kang'
'Lee, Gene-Hsiang'
'Peng, Shie-Ming'
'Yiu, Shek-Man'
'Gao, Song'
'Lau, Tai-Chu'
_publ_section_title
;
 A novel triazidoruthenium(iii) building block for the construction of
 polynuclear compounds
;
_journal_issue                   19
_journal_name_full               'Dalton Transactions'
_journal_page_first              5794
_journal_paper_doi               10.1039/c2dt11810f
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety
'2(C6.5 H4 N5 O Ru0.5), C H2 Cl2, 2(C24 H20 P)'
_chemical_formula_sum            'C62 H51 Cl2 N10 O2 P2 Ru'
_chemical_formula_weight         1202.04
_chemical_name_systematic
;
?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2011-07-05
_audit_creation_method
;
Olex2 1.1
(compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 104.704(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.80700(10)
_cell_length_b                   24.4502(3)
_cell_length_c                   12.8128(2)
_cell_measurement_reflns_used    7340
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      71.4283
_cell_measurement_theta_min      6.2598
_cell_volume                     2971.68(7)
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 16.1270
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0204
_diffrn_reflns_av_unetI/netI     0.0214
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9020
_diffrn_reflns_theta_full        67.00
_diffrn_reflns_theta_max         67.00
_diffrn_reflns_theta_min         6.26
_diffrn_source                   'Ultra (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    3.882
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.59564
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.2 (release 28-02-2008 CrysAlis171 .NET)
(compiled Feb 28 2008,18:34:21)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1234
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.304
_refine_diff_density_min         -0.353
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     544
_refine_ls_number_reflns         5246
_refine_ls_number_restraints     239
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0602
_refine_ls_R_factor_gt           0.0564
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1098P)²+5.0127P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1711
_refine_ls_wR_factor_ref         0.1741
_reflns_number_gt                4840
_reflns_number_total             5246
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt11810f.txt
_cod_data_source_block           101008a_xj
_cod_original_cell_volume        2971.67(7)
_cod_database_code               7018800
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z'
3 '-x, -y, -z'
4 'x, -y-1/2, 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 0.55739(4) 0.2500 0.17504(3) 0.03287(18) Uani 1 2 d SD . .
Cl1 Cl 0.7082(4) 0.57179(19) 0.4708(4) 0.1014(12) Uani 0.50 1 d PD . .
Cl2 Cl 0.5988(5) 0.67856(15) 0.3898(3) 0.0942(11) Uani 0.50 1 d PD . .
P1 P 0.11348(10) 0.55628(4) 0.22565(8) 0.0332(3) Uani 1 1 d . . .
O1 O 0.5935(5) 0.2500 0.3348(4) 0.0529(11) Uani 1 2 d S . .
O2 O 0.5251(5) 0.2500 0.0133(4) 0.0436(10) Uani 1 2 d S . .
N1 N 0.7718(14) 0.2500 0.2374(8) 0.033(3) Uani 0.32 2 d SPD . .
N1A N 0.7560(8) 0.2500 0.1612(5) 0.0283(13) Uani 0.68 2 d SPD . .
N2 N 0.5620(4) 0.33477(16) 0.1737(3) 0.0468(9) Uani 1 1 d . . .
N3 N 0.4806(4) 0.35950(14) 0.2118(3) 0.0446(9) Uani 1 1 d . . .
N4 N 0.4070(5) 0.38541(19) 0.2501(4) 0.0650(13) Uani 1 1 d . . .
N5 N 0.3388(5) 0.2500 0.1604(4) 0.0436(12) Uani 1 2 d S . .
N6 N 0.2836(8) 0.257(2) 0.2290(6) 0.049(8) Uani 0.50 1 d P A -2
N7 N 0.2264(13) 0.2659(5) 0.2947(11) 0.099(5) Uani 0.50 1 d P A -2
C1 C 0.7257(9) 0.2587(7) 0.3943(6) 0.038(4) Uani 0.50 1 d PD . -1
C2 C 0.7473(10) 0.2640(3) 0.5075(7) 0.049(3) Uani 0.50 1 d PD . -1
H2 H 0.6676 0.2658 0.5366 0.059 Uiso 0.50 1 calc PR . -1
C3 C 0.8760(12) 0.2664(5) 0.5745(8) 0.073(5) Uani 0.50 1 d PD . -1
H3 H 0.8866 0.2703 0.6499 0.087 Uiso 0.50 1 calc PR . -1
C4 C 0.9946(11) 0.2631(7) 0.5337(9) 0.074(7) Uani 0.50 1 d PD . -1
H4 H 1.0863 0.2637 0.5814 0.089 Uiso 0.50 1 calc PR . -1
C5 C 0.9791(10) 0.2592(8) 0.4262(9) 0.055(5) Uani 0.50 1 d PD . -1
H5 H 1.0608 0.2602 0.3992 0.066 Uiso 0.50 1 calc PR . -1
C6 C 0.8425(9) 0.254(2) 0.3508(6) 0.047(5) Uani 0.50 1 d PD . -1
C7 C 0.847(2) 0.2500 0.1667(12) 0.030(3) Uani 0.32 2 d SPD . .
C7A C 0.8621(10) 0.2500 0.2448(7) 0.0335(17) Uani 0.68 2 d SPD . .
C8 C 0.7770(7) 0.2500 0.0532(4) 0.0396(13) Uani 1 2 d SD . .
C9 C 0.8953(7) 0.2500 0.0127(6) 0.0524(17) Uani 1 2 d S . .
H9 H 0.9860 0.2500 0.0617 0.063 Uiso 1 2 calc SR . .
C10 C 0.8855(8) 0.2500 -0.0965(7) 0.0584(18) Uani 1 2 d S . .
H10 H 0.9683 0.2500 -0.1221 0.070 Uiso 1 2 calc SR . .
C11 C 0.7543(9) 0.2500 -0.1684(6) 0.0596(19) Uani 1 2 d S . .
H11 H 0.7468 0.2500 -0.2438 0.072 Uiso 1 2 calc SR . .
C12 C 0.6313(7) 0.2500 -0.1307(5) 0.0496(15) Uani 1 2 d S . .
H12 H 0.5412 0.2500 -0.1805 0.060 Uiso 1 2 calc SR . .
C13 C 0.6424(7) 0.2500 -0.0203(5) 0.0380(12) Uani 1 2 d S . .
C14 C 0.0275(4) 0.49045(16) 0.2066(3) 0.0340(8) Uani 1 1 d . B .
C15 C 0.1011(5) 0.44347(19) 0.2452(5) 0.0556(12) Uani 1 1 d . . .
H15 H 0.1986 0.4454 0.2809 0.067 Uiso 1 1 calc R B .
C16 C 0.0329(6) 0.3936(2) 0.2319(5) 0.0658(15) Uani 1 1 d . B .
H16 H 0.0848 0.3613 0.2565 0.079 Uiso 1 1 calc R . .
C17 C -0.1070(5) 0.39008(19) 0.1845(4) 0.0500(11) Uani 1 1 d . . .
H17 H -0.1531 0.3556 0.1779 0.060 Uiso 1 1 calc R B .
C18 C -0.1799(6) 0.4353(2) 0.1469(5) 0.0632(14) Uani 1 1 d . B .
H18 H -0.2781 0.4328 0.1141 0.076 Uiso 1 1 calc R . .
C19 C -0.1130(5) 0.4858(2) 0.1555(5) 0.0584(13) Uani 1 1 d . . .
H19 H -0.1649 0.5174 0.1258 0.070 Uiso 1 1 calc R B .
C20 C -0.0145(4) 0.60617(16) 0.1631(4) 0.0367(9) Uani 1 1 d . B .
C21 C -0.0581(5) 0.60831(19) 0.0510(4) 0.0473(10) Uani 1 1 d . . .
H21 H -0.0133 0.5861 0.0087 0.057 Uiso 1 1 calc R B .
C22 C -0.1678(5) 0.6431(2) 0.0010(5) 0.0571(13) Uani 1 1 d . B .
H22 H -0.1963 0.6451 -0.0755 0.069 Uiso 1 1 calc R . .
C23 C -0.2349(5) 0.6745(2) 0.0612(5) 0.0540(12) Uani 1 1 d . . .
H23 H -0.3112 0.6973 0.0264 0.065 Uiso 1 1 calc R B .
C24 C -0.1921(5) 0.6729(2) 0.1718(5) 0.0576(13) Uani 1 1 d . B .
H24 H -0.2381 0.6952 0.2131 0.069 Uiso 1 1 calc R . .
C25 C -0.0812(5) 0.63867(19) 0.2242(4) 0.0481(11) Uani 1 1 d . . .
H25 H -0.0518 0.6377 0.3008 0.058 Uiso 1 1 calc R B .
C26 C 0.1777(19) 0.5632(9) 0.3677(16) 0.033(4) Uani 0.50 1 d PDU B 1
C27 C 0.089(2) 0.5544(10) 0.4324(19) 0.062(6) Uani 0.50 1 d PDU B 1
H27 H -0.0023 0.5401 0.4024 0.074 Uiso 0.50 1 calc PR B 1
C28 C 0.131(2) 0.5659(11) 0.5406(18) 0.062(5) Uani 0.50 1 d PDU B 1
H28 H 0.0691 0.5595 0.5853 0.074 Uiso 0.50 1 calc PR B 1
C29 C 0.2618(17) 0.5863(7) 0.5833(11) 0.067(4) Uani 0.50 1 d PDU B 1
H29 H 0.2919 0.5943 0.6581 0.081 Uiso 0.50 1 calc PR B 1
C30 C 0.3480(14) 0.5950(7) 0.5192(9) 0.077(4) Uani 0.50 1 d PDU B 1
H30 H 0.4402 0.6086 0.5500 0.092 Uiso 0.50 1 calc PR B 1
C31 C 0.3075(12) 0.5848(6) 0.4099(8) 0.058(3) Uani 0.50 1 d PDU B 1
H31 H 0.3688 0.5928 0.3652 0.069 Uiso 0.50 1 calc PR B 1
C26A C 0.167(2) 0.5757(9) 0.3676(15) 0.035(4) Uani 0.50 1 d PDU B 2
C27A C 0.084(2) 0.5610(10) 0.4330(17) 0.055(4) Uani 0.50 1 d PDU B 2
H27A H 0.0029 0.5387 0.4064 0.066 Uiso 0.50 1 calc PR B 2
C28A C 0.118(2) 0.5789(11) 0.5377(19) 0.070(6) Uani 0.50 1 d PDU B 2
H28A H 0.0572 0.5704 0.5826 0.084 Uiso 0.50 1 calc PR B 2
C29A C 0.236(2) 0.6085(7) 0.5789(14) 0.078(5) Uani 0.50 1 d PDU B 2
H29A H 0.2642 0.6165 0.6538 0.094 Uiso 0.50 1 calc PR B 2
C30A C 0.3116(15) 0.6262(6) 0.5135(11) 0.070(3) Uani 0.50 1 d PDU B 2
H30A H 0.3910 0.6491 0.5404 0.085 Uiso 0.50 1 calc PR B 2
C31A C 0.2748(16) 0.6113(5) 0.4067(11) 0.065(3) Uani 0.50 1 d PDU B 2
H31A H 0.3254 0.6262 0.3592 0.078 Uiso 0.50 1 calc PR B 2
C32 C 0.2589(10) 0.5580(4) 0.1603(9) 0.029(2) Uani 0.65 1 d PDU B 1
C33 C 0.3341(7) 0.5110(3) 0.1517(6) 0.0455(15) Uani 0.65 1 d PDU B 1
H33 H 0.3025 0.4763 0.1694 0.055 Uiso 0.65 1 calc PR B 1
C34 C 0.4575(8) 0.5156(3) 0.1163(7) 0.058(2) Uani 0.65 1 d PDU B 1
H34 H 0.5115 0.4839 0.1111 0.070 Uiso 0.65 1 calc PR B 1
C35 C 0.5008(12) 0.5660(5) 0.0891(11) 0.058(4) Uani 0.65 1 d PDU B 1
H35 H 0.5811 0.5683 0.0606 0.069 Uiso 0.65 1 calc PR B 1
C36 C 0.4303(13) 0.6130(5) 0.1023(11) 0.044(3) Uani 0.65 1 d PDU B 1
H36 H 0.4656 0.6478 0.0889 0.053 Uiso 0.65 1 calc PR B 1
C37 C 0.3058(13) 0.6088(5) 0.1357(10) 0.036(2) Uani 0.65 1 d PDU B 1
H37 H 0.2531 0.6407 0.1416 0.043 Uiso 0.65 1 calc PR B 1
C32A C 0.272(2) 0.5624(9) 0.1878(18) 0.040(5) Uani 0.35 1 d PDU B 2
C33A C 0.3846(14) 0.5284(6) 0.2346(13) 0.065(4) Uani 0.35 1 d PDU B 2
H33A H 0.3768 0.5031 0.2889 0.078 Uiso 0.35 1 calc PR B 2
C34A C 0.5103(16) 0.5318(7) 0.2008(15) 0.070(4) Uani 0.35 1 d PDU B 2
H34A H 0.5873 0.5083 0.2314 0.084 Uiso 0.35 1 calc PR B 2
C35A C 0.520(3) 0.5693(9) 0.1231(19) 0.054(5) Uani 0.35 1 d PDU B 2
H35A H 0.6052 0.5716 0.1004 0.065 Uiso 0.35 1 calc PR B 2
C36A C 0.410(3) 0.6036(9) 0.078(2) 0.050(6) Uani 0.35 1 d PDU B 2
H36A H 0.4195 0.6296 0.0250 0.060 Uiso 0.35 1 calc PR B 2
C37A C 0.286(3) 0.6000(9) 0.110(2) 0.049(7) Uani 0.35 1 d PDU B 2
H37A H 0.2088 0.6233 0.0784 0.059 Uiso 0.35 1 calc PR B 2
C38 C 0.7102(14) 0.6403(5) 0.4987(9) 0.099(6) Uani 0.50 1 d PD . .
H38A H 0.8080 0.6541 0.5123 0.119 Uiso 0.50 1 calc PR . .
H38B H 0.6779 0.6460 0.5651 0.119 Uiso 0.50 1 calc PR . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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
O1 Ru1 O2 178.82(17) . .
O1 Ru1 N1 72.6(4) . .
O1 Ru1 N1A 99.7(2) . .
O1 Ru1 N2 90.57(11) . 4_565
O1 Ru1 N2 90.57(11) . .
O1 Ru1 N5 90.2(2) . .
O2 Ru1 N1 106.2(4) . .
O2 Ru1 N2 89.41(11) . .
O2 Ru1 N2 89.41(11) . 4_565
O2 Ru1 N5 91.0(2) . .
N1 Ru1 N2 88.90(10) . 4_565
N1 Ru1 N2 88.90(10) . .
N1 Ru1 N5 162.8(4) . .
N1A Ru1 O2 79.1(2) . .
N1A Ru1 N1 27.1(4) . .
N1A Ru1 N2 88.60(10) . .
N1A Ru1 N2 88.60(10) . 4_565
N1A Ru1 N5 170.1(2) . .
N2 Ru1 N2 177.1(2) 4_565 .
N2 Ru1 N5 91.32(10) . .
N2 Ru1 N5 91.32(10) 4_565 .
C14 P1 C26A 112.0(6) . .
C14 P1 C32 110.5(4) . .
C20 P1 C14 107.30(19) . .
C20 P1 C26A 105.2(8) . .
C20 P1 C32 108.6(3) . .
C26 P1 C14 104.8(6) . .
C26 P1 C20 114.9(8) . .
C26 P1 C26A 10.2(14) . .
C26 P1 C32 110.6(7) . .
C26A P1 C32 112.9(7) . .
C32A P1 C14 117.2(7) . .
C32A P1 C20 112.9(6) . .
C32A P1 C26 99.6(9) . .
C32A P1 C26A 101.6(10) . .
C32A P1 C32 11.3(10) . .
C1 O1 Ru1 118.6(5) 4_565 .
C1 O1 Ru1 118.6(5) . .
C1 O1 C1 18.3(14) . 4_565
C13 O2 Ru1 114.3(4) . .
C6 N1 Ru1 125.1(9) . .
C6 N1 Ru1 125.1(9) 4_565 .
C6 N1 C6 7(5) 4_565 .
C7 N1 Ru1 115.6(9) . .
C7 N1 C6 119.1(11) . 4_565
C7 N1 C6 119.1(11) . .
C7A N1A Ru1 121.6(6) . .
C7A N1A C8 120.8(7) . .
C8 N1A Ru1 117.6(5) . .
N3 N2 Ru1 118.8(3) . .
N4 N3 N2 176.6(5) . .
N6 N5 Ru1 126.6(6) . .
N6 N5 Ru1 126.6(6) 4_565 .
N6 N5 N6 16(6) 4_565 .
N7 N6 N5 176(5) . .
O1 C1 C2 117.9(7) . .
O1 C1 C6 121.9(9) . .
C6 C1 C2 119.3(7) . .
C1 C2 H2 118.9 . .
C3 C2 C1 122.3(8) . .
C3 C2 H2 118.9 . .
C2 C3 H3 120.0 . .
C2 C3 C4 119.9(9) . .
C4 C3 H3 120.0 . .
C3 C4 H4 120.1 . .
C5 C4 C3 119.9(9) . .
C5 C4 H4 120.1 . .
C4 C5 H5 118.9 . .
C4 C5 C6 122.3(8) . .
C6 C5 H5 118.9 . .
N1 C6 C5 143.6(10) . .
C1 C6 N1 100.0(9) . .
C1 C6 C5 116.0(10) . .
C1 C6 C7A 135.1(8) . .
C7A C6 N1 35.2(6) . .
C7A C6 C5 108.5(8) . .
N1 C7 C8 119.6(14) . .
N1A C7A C6 121.1(8) . 4_565
N1A C7A C6 121.1(8) . .
C6 C7A C6 7(5) 4_565 .
C7 C8 N1A 35.3(7) . .
C9 C8 N1A 133.9(6) . .
C9 C8 C7 98.6(9) . .
C9 C8 C13 118.6(5) . .
C13 C8 N1A 107.5(5) . .
C13 C8 C7 142.8(9) . .
C8 C9 H9 119.0 . .
C10 C9 C8 122.1(6) . .
C10 C9 H9 119.0 . .
C9 C10 H10 120.3 . .
C9 C10 C11 119.4(6) . .
C11 C10 H10 120.3 . .
C10 C11 H11 119.8 . .
C10 C11 C12 120.4(7) . .
C12 C11 H11 119.8 . .
C11 C12 H12 120.1 . .
C13 C12 C11 119.7(6) . .
C13 C12 H12 120.1 . .
O2 C13 C8 121.6(5) . .
O2 C13 C12 118.7(6) . .
C12 C13 C8 119.8(6) . .
C15 C14 P1 120.7(3) . .
C19 C14 P1 121.1(3) . .
C19 C14 C15 118.2(4) . .
C14 C15 H15 120.1 . .
C16 C15 C14 119.9(5) . .
C16 C15 H15 120.1 . .
C15 C16 H16 119.5 . .
C17 C16 C15 121.1(5) . .
C17 C16 H16 119.5 . .
C16 C17 H17 120.1 . .
C18 C17 C16 119.7(5) . .
C18 C17 H17 120.1 . .
C17 C18 H18 119.8 . .
C17 C18 C19 120.5(5) . .
C19 C18 H18 119.8 . .
C14 C19 C18 120.5(5) . .
C14 C19 H19 119.7 . .
C18 C19 H19 119.7 . .
C21 C20 P1 119.0(3) . .
C25 C20 P1 121.0(3) . .
C25 C20 C21 119.6(4) . .
C20 C21 H21 120.1 . .
C20 C21 C22 119.8(5) . .
C22 C21 H21 120.1 . .
C21 C22 H22 119.7 . .
C23 C22 C21 120.6(5) . .
C23 C22 H22 119.7 . .
C22 C23 H23 120.0 . .
C22 C23 C24 120.1(4) . .
C24 C23 H23 120.0 . .
C23 C24 H24 119.7 . .
C23 C24 C25 120.5(5) . .
C25 C24 H24 119.7 . .
C20 C25 C24 119.4(5) . .
C20 C25 H25 120.3 . .
C24 C25 H25 120.3 . .
C27 C26 P1 119.7(12) . .
C31 C26 P1 119.8(13) . .
C31 C26 C27 119.8(13) . .
C26 C27 H27 119.7 . .
C26 C27 C28 120.7(12) . .
C28 C27 H27 119.7 . .
C27 C28 H28 120.2 . .
C29 C28 C27 119.6(13) . .
C29 C28 H28 120.2 . .
C28 C29 H29 120.3 . .
C30 C29 C28 119.4(12) . .
C30 C29 H29 120.3 . .
C29 C30 H30 118.9 . .
C29 C30 C31 122.1(11) . .
C31 C30 H30 118.9 . .
C26 C31 C30 118.3(11) . .
C26 C31 H31 120.9 . .
C30 C31 H31 120.9 . .
C27A C26A P1 118.6(12) . .
C27A C26A C31A 118.3(13) . .
C31A C26A P1 122.4(14) . .
C26A C27A H27A 120.6 . .
C26A C27A C28A 118.8(14) . .
C28A C27A H27A 120.6 . .
C27A C28A H28A 119.1 . .
C29A C28A C27A 121.7(15) . .
C29A C28A H28A 119.1 . .
C28A C29A H29A 120.4 . .
C30A C29A C28A 119.3(14) . .
C30A C29A H29A 120.4 . .
C29A C30A H30A 120.1 . .
C29A C30A C31A 119.8(13) . .
C31A C30A H30A 120.1 . .
C26A C31A C30A 121.3(13) . .
C26A C31A H31A 119.3 . .
C30A C31A H31A 119.3 . .
C33 C32 P1 120.7(7) . .
C33 C32 C37 120.6(8) . .
C37 C32 P1 117.9(7) . .
C32 C33 H33 120.6 . .
C32 C33 C34 118.7(7) . .
C34 C33 H33 120.6 . .
C33 C34 H34 120.0 . .
C35 C34 C33 120.1(7) . .
C35 C34 H34 120.0 . .
C34 C35 H35 119.3 . .
C36 C35 C34 121.4(8) . .
C36 C35 H35 119.3 . .
C35 C36 H36 120.6 . .
C35 C36 C37 118.8(10) . .
C37 C36 H36 120.6 . .
C32 C37 C36 120.2(9) . .
C32 C37 H37 119.9 . .
C36 C37 H37 119.9 . .
C33A C32A P1 119.5(15) . .
C37A C32A P1 120.6(14) . .
C37A C32A C33A 119.9(17) . .
C32A C33A H33A 120.2 . .
C32A C33A C34A 119.5(15) . .
C34A C33A H33A 120.2 . .
C33A C34A H34A 120.3 . .
C35A C34A C33A 119.4(15) . .
C35A C34A H34A 120.3 . .
C34A C35A H35A 119.4 . .
C36A C35A C34A 121.3(17) . .
C36A C35A H35A 119.4 . .
C35A C36A H36A 120.2 . .
C35A C36A C37A 119.5(17) . .
C37A C36A H36A 120.2 . .
C32A C37A C36A 120.4(17) . .
C32A C37A H37A 119.8 . .
C36A C37A H37A 119.8 . .
Cl1 C38 Cl2 112.0(6) . .
Cl1 C38 H38A 109.2 . .
Cl1 C38 H38B 109.2 . .
Cl2 C38 H38A 109.2 . .
Cl2 C38 H38B 109.2 . .
H38A C38 H38B 107.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 O1 1.987(5) .
Ru1 O2 2.015(4) .
Ru1 N1 2.051(13) .
Ru1 N1A 2.000(7) .
Ru1 N2 2.073(4) .
Ru1 N2 2.073(4) 4_565
Ru1 N5 2.103(5) .
Cl1 C38 1.712(14) .
Cl2 C38 1.801(12) .
P1 C14 1.804(4) .
P1 C20 1.787(4) .
P1 C26 1.777(18) .
P1 C26A 1.823(18) .
P1 C32 1.828(10) .
P1 C32A 1.75(2) .
O1 C1 1.344(10) 4_565
O1 C1 1.344(10) .
O2 C13 1.327(7) .
N1 C6 1.444(8) .
N1 C6 1.444(8) 4_565
N1 C7 1.305(16) .
N1A C7A 1.291(10) .
N1A C8 1.449(7) .
N2 N3 1.199(5) .
N3 N4 1.159(6) .
N5 N6 1.155(13) .
N5 N6 1.155(13) 4_565
N6 N7 1.146(17) .
C1 C2 1.416(11) .
C1 C6 1.401(13) .
C2 H2 0.9500 .
C2 C3 1.335(14) .
C3 H3 0.9500 .
C3 C4 1.394(16) .
C4 H4 0.9500 .
C4 C5 1.350(15) .
C5 H5 0.9500 .
C5 C6 1.446(14) .
C6 C7A 1.422(11) .
C7 C8 1.441(15) .
C7A C6 1.422(11) 4_565
C8 C9 1.386(10) .
C8 C13 1.413(9) .
C9 H9 0.9500 .
C9 C10 1.377(11) .
C10 H10 0.9500 .
C10 C11 1.379(12) .
C11 H11 0.9500 .
C11 C12 1.408(10) .
C12 H12 0.9500 .
C12 C13 1.391(9) .
C14 C15 1.380(6) .
C14 C19 1.372(7) .
C15 H15 0.9500 .
C15 C16 1.380(7) .
C16 H16 0.9500 .
C16 C17 1.355(8) .
C17 H17 0.9500 .
C17 C18 1.338(8) .
C18 H18 0.9500 .
C18 C19 1.390(7) .
C19 H19 0.9500 .
C20 C21 1.392(6) .
C20 C25 1.390(6) .
C21 H21 0.9500 .
C21 C22 1.393(7) .
C22 H22 0.9500 .
C22 C23 1.368(8) .
C23 H23 0.9500 .
C23 C24 1.372(8) .
C24 H24 0.9500 .
C24 C25 1.401(7) .
C25 H25 0.9500 .
C26 C27 1.359(12) .
C26 C31 1.358(13) .
C27 H27 0.9500 .
C27 C28 1.371(13) .
C28 H28 0.9500 .
C28 C29 1.353(14) .
C29 H29 0.9500 .
C29 C30 1.337(14) .
C30 H30 0.9500 .
C30 C31 1.377(13) .
C31 H31 0.9500 .
C26A C27A 1.362(13) .
C26A C31A 1.362(13) .
C27A H27A 0.9500 .
C27A C28A 1.371(13) .
C28A H28A 0.9500 .
C28A C29A 1.353(15) .
C29A H29A 0.9500 .
C29A C30A 1.325(16) .
C30A H30A 0.9500 .
C30A C31A 1.372(14) .
C31A H31A 0.9500 .
C32 C33 1.385(10) .
C32 C37 1.388(11) .
C33 H33 0.9500 .
C33 C34 1.401(9) .
C34 H34 0.9500 .
C34 C35 1.375(12) .
C35 H35 0.9500 .
C35 C36 1.375(12) .
C36 H36 0.9500 .
C36 C37 1.396(10) .
C37 H37 0.9500 .
C32A C33A 1.389(16) .
C32A C37A 1.385(16) .
C33A H33A 0.9500 .
C33A C34A 1.408(16) .
C34A H34A 0.9500 .
C34A C35A 1.376(17) .
C35A H35A 0.9500 .
C35A C36A 1.374(17) .
C36A H36A 0.9500 .
C36A C37A 1.390(16) .
C37A H37A 0.9500 .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
