#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/78/4337825.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_4337825
loop_
_publ_author_name
'Patra, Sarat Chandra'
'Weyhermüller, Thomas'
'Ghosh, Prasanta'
_publ_section_title
;
 Ruthenium, Rhodium, Osmium, and Iridium Complexes of Osazones (Osazones =
 Bis-Arylhydrazones of Glyoxal): Radical versus Nonradical States.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2427
_journal_page_last               2440
_journal_paper_doi               10.1021/ic4022432
_journal_volume                  53
_journal_year                    2014
_chemical_compound_source        'dichlormethane, hexane'
_chemical_formula_moiety         'C53 H48 Cl N6 O2 P2 Ru, Cl'
_chemical_formula_sum            'C53 H48 Cl2 N6 O2 P2 Ru'
_chemical_formula_weight         1034.88
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_code                WGT-PG-502-34
_audit_creation_date             2011-10-19
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.0489(12)
_cell_length_b                   22.812(2)
_cell_length_c                   24.131(3)
_cell_measurement_reflns_used    218114
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.0998
_cell_measurement_theta_min      2.6817
_cell_volume                     9935.5(16)
_computing_cell_refinement       'DENZO (Bruker AXS, 2006)'
_computing_data_collection       'DATCOL (Bruker AXS, 2006)'
_computing_data_reduction        'DENZO (Bruker AXS, 2006)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 18.02
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker AXS Enraf-Nonius KappaCCD'
_diffrn_measurement_method       'CCD φ- and ω-scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         '0.2 x 2mm^2^ focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0684
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            198352
_diffrn_reflns_theta_full        33.07
_diffrn_reflns_theta_max         33.07
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    0.534
_exptl_absorpt_correction_T_max  0.95586
_exptl_absorpt_correction_T_min  0.92351
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'SADABS (Bruker AXS, 2008)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.384
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4256
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.636
_refine_diff_density_min         -1.760
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     596
_refine_ls_number_reflns         18796
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0385
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0342P)²+8.5923P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0818
_refine_ls_wR_factor_ref         0.0935
_reflns_number_gt                14250
_reflns_number_total             18796
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4022432_si_002.cif
_cod_data_source_block           '[9]Cl'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'ORTHORHOMBIC' changed to
'orthorhombic' according to
/usr/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_Hall     '-p 2ac 2ab'
_cod_database_code               4337825
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, 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
Ru1 Ru 0.516471(7) 0.179367(5) 0.201068(5) 0.01354(3) Uani 1 1 d .
Cl1 Cl 0.38504(2) 0.192837(18) 0.218555(18) 0.02026(8) Uani 1 1 d .
Cl2 Cl 0.81789(3) 0.18643(2) 0.10027(2) 0.02741(9) Uani 1 1 d .
O1 O 0.54776(7) 0.21181(5) 0.11697(5) 0.0173(2) Uani 1 1 d .
C2 C 0.61663(9) 0.20579(7) 0.11039(7) 0.0168(3) Uani 1 1 d .
N3 N 0.65996(8) 0.18110(6) 0.15046(6) 0.0166(2) Uani 1 1 d .
H3 H 0.7081 0.1765 0.1467 0.020 Uiso 1 1 calc R
N4 N 0.62243(8) 0.16403(6) 0.19699(6) 0.0148(2) Uani 1 1 d .
C5 C 0.65575(9) 0.13616(7) 0.23761(7) 0.0172(3) Uani 1 1 d .
C6 C 0.60608(10) 0.12395(7) 0.28234(7) 0.0189(3) Uani 1 1 d .
H6 H 0.6223 0.1051 0.3153 0.023 Uiso 1 1 calc R
N7 N 0.53611(8) 0.14034(6) 0.27535(6) 0.0165(3) Uani 1 1 d .
N8 N 0.48487(8) 0.13092(6) 0.31719(6) 0.0195(3) Uani 1 1 d .
H8 H 0.4480 0.1558 0.3210 0.023 Uiso 1 1 calc R
C9 C 0.48964(10) 0.08281(7) 0.35404(7) 0.0206(3) Uani 1 1 d .
O10 O 0.54157(8) 0.04893(6) 0.35378(6) 0.0248(3) Uani 1 1 d .
N11 N 0.43028(9) 0.08008(7) 0.38854(7) 0.0236(3) Uani 1 1 d .
H11 H 0.3979 0.1088 0.3867 0.028 Uiso 1 1 calc R
C12 C 0.41626(11) 0.03459(8) 0.42734(8) 0.0238(3) Uani 1 1 d .
C13 C 0.45211(13) -0.01953(9) 0.42653(9) 0.0303(4) Uani 1 1 d .
H13 H 0.4899 -0.0272 0.4001 0.036 Uiso 1 1 calc R
C14 C 0.43183(14) -0.06227(9) 0.46493(9) 0.0348(5) Uani 1 1 d .
H14 H 0.4565 -0.0991 0.4646 0.042 Uiso 1 1 calc R
C15 C 0.37673(13) -0.05232(10) 0.50348(9) 0.0350(5) Uani 1 1 d .
H15 H 0.3630 -0.0821 0.5290 0.042 Uiso 1 1 calc R
C16 C 0.34178(13) 0.00173(11) 0.50447(8) 0.0340(5) Uani 1 1 d .
H16 H 0.3039 0.0090 0.5309 0.041 Uiso 1 1 calc R
C17 C 0.36172(11) 0.04544(9) 0.46711(8) 0.0269(4) Uani 1 1 d .
H17 H 0.3382 0.0827 0.4686 0.032 Uiso 1 1 calc R
N18 N 0.65485(8) 0.22031(6) 0.06474(6) 0.0199(3) Uani 1 1 d .
H18 H 0.7024 0.2119 0.0657 0.024 Uiso 1 1 calc R
C19 C 0.63011(11) 0.24719(7) 0.01520(7) 0.0218(3) Uani 1 1 d .
C20 C 0.68061(12) 0.24683(9) -0.02851(8) 0.0294(4) Uani 1 1 d .
H20 H 0.7277 0.2288 -0.0241 0.035 Uiso 1 1 calc R
C21 C 0.66198(14) 0.27298(11) -0.07861(9) 0.0377(5) Uani 1 1 d .
H21 H 0.6964 0.2729 -0.1084 0.045 Uiso 1 1 calc R
C22 C 0.59357(15) 0.29906(10) -0.08513(9) 0.0375(5) Uani 1 1 d .
H22 H 0.5809 0.3170 -0.1194 0.045 Uiso 1 1 calc R
C23 C 0.54333(13) 0.29904(9) -0.04156(9) 0.0333(4) Uani 1 1 d .
H23 H 0.4961 0.3168 -0.0463 0.040 Uiso 1 1 calc R
C24 C 0.56118(12) 0.27339(8) 0.00906(8) 0.0258(4) Uani 1 1 d .
H24 H 0.5268 0.2738 0.0389 0.031 Uiso 1 1 calc R
C25 C 0.73517(10) 0.11802(8) 0.23648(8) 0.0240(4) Uani 1 1 d .
H25A H 0.7420 0.0869 0.2089 0.036 Uiso 1 1 calc R
H25B H 0.7496 0.1035 0.2731 0.036 Uiso 1 1 calc R
H25C H 0.7661 0.1518 0.2266 0.036 Uiso 1 1 calc R
P30 P 0.53122(2) 0.279084(17) 0.228723(18) 0.01523(8) Uani 1 1 d .
C31 C 0.52498(10) 0.30221(7) 0.30095(7) 0.0190(3) Uani 1 1 d .
C32 C 0.46581(10) 0.28148(8) 0.33303(7) 0.0210(3) Uani 1 1 d .
H32 H 0.4320 0.2539 0.3179 0.025 Uiso 1 1 calc R
C33 C 0.45650(11) 0.30136(8) 0.38716(8) 0.0253(4) Uani 1 1 d .
H33 H 0.4163 0.2873 0.4088 0.030 Uiso 1 1 calc R
C34 C 0.50578(12) 0.34169(9) 0.40971(8) 0.0300(4) Uani 1 1 d .
H34 H 0.4996 0.3548 0.4468 0.036 Uiso 1 1 calc R
C35 C 0.56395(12) 0.36275(9) 0.37799(8) 0.0301(4) Uani 1 1 d .
H35 H 0.5973 0.3906 0.3933 0.036 Uiso 1 1 calc R
C36 C 0.57376(11) 0.34336(8) 0.32379(8) 0.0247(4) Uani 1 1 d .
H36 H 0.6137 0.3581 0.3022 0.030 Uiso 1 1 calc R
C41 C 0.46570(9) 0.32823(7) 0.19402(7) 0.0183(3) Uani 1 1 d .
C42 C 0.43694(11) 0.31397(8) 0.14216(8) 0.0248(4) Uani 1 1 d .
H42 H 0.4478 0.2769 0.1262 0.030 Uiso 1 1 calc R
C43 C 0.39245(12) 0.35340(10) 0.11341(9) 0.0322(4) Uani 1 1 d .
H43 H 0.3737 0.3434 0.0779 0.039 Uiso 1 1 calc R
C44 C 0.37557(12) 0.40751(9) 0.13695(9) 0.0331(4) Uani 1 1 d .
H44 H 0.3458 0.4348 0.1172 0.040 Uiso 1 1 calc R
C45 C 0.40209(12) 0.42157(8) 0.18906(10) 0.0319(4) Uani 1 1 d .
H45 H 0.3896 0.4581 0.2054 0.038 Uiso 1 1 calc R
C46 C 0.44711(11) 0.38220(8) 0.21760(8) 0.0246(4) Uani 1 1 d .
H46 H 0.4653 0.3921 0.2533 0.029 Uiso 1 1 calc R
C51 C 0.62172(9) 0.30561(7) 0.20557(7) 0.0176(3) Uani 1 1 d .
C52 C 0.68558(10) 0.28781(7) 0.23410(8) 0.0222(3) Uani 1 1 d .
H52 H 0.6809 0.2667 0.2679 0.027 Uiso 1 1 calc R
C53 C 0.75562(10) 0.30072(8) 0.21350(9) 0.0274(4) Uani 1 1 d .
H53 H 0.7986 0.2888 0.2333 0.033 Uiso 1 1 calc R
C54 C 0.76257(11) 0.33111(8) 0.16391(9) 0.0295(4) Uani 1 1 d .
H54 H 0.8104 0.3393 0.1494 0.035 Uiso 1 1 calc R
C55 C 0.69986(11) 0.34958(8) 0.13550(8) 0.0264(4) Uani 1 1 d .
H55 H 0.7049 0.3707 0.1018 0.032 Uiso 1 1 calc R
C56 C 0.62941(10) 0.33720(7) 0.15630(8) 0.0207(3) Uani 1 1 d .
H56 H 0.5867 0.3503 0.1369 0.025 Uiso 1 1 calc R
P60 P 0.48210(2) 0.090526(17) 0.155797(18) 0.01574(8) Uani 1 1 d .
C61 C 0.41939(10) 0.03967(7) 0.19086(7) 0.0197(3) Uani 1 1 d .
C62 C 0.43829(11) 0.01833(7) 0.24330(8) 0.0243(4) Uani 1 1 d .
H62 H 0.4833 0.0306 0.2601 0.029 Uiso 1 1 calc R
C63 C 0.39199(12) -0.02073(8) 0.27137(9) 0.0288(4) Uani 1 1 d .
H63 H 0.4056 -0.0350 0.3070 0.035 Uiso 1 1 calc R
C64 C 0.32613(12) -0.03864(8) 0.24708(10) 0.0309(4) Uani 1 1 d .
H64 H 0.2946 -0.0654 0.2659 0.037 Uiso 1 1 calc R
C65 C 0.30638(11) -0.01740(9) 0.19544(10) 0.0303(4) Uani 1 1 d .
H65 H 0.2611 -0.0296 0.1790 0.036 Uiso 1 1 calc R
C66 C 0.35244(10) 0.02179(8) 0.16722(8) 0.0243(4) Uani 1 1 d .
H66 H 0.3382 0.0363 0.1319 0.029 Uiso 1 1 calc R
C71 C 0.56432(9) 0.04757(7) 0.13794(7) 0.0196(3) Uani 1 1 d .
C72 C 0.58930(11) 0.00020(8) 0.16929(9) 0.0270(4) Uani 1 1 d .
H72 H 0.5587 -0.0155 0.1977 0.032 Uiso 1 1 calc R
C73 C 0.65867(12) -0.02420(9) 0.15929(10) 0.0343(5) Uani 1 1 d .
H73 H 0.6749 -0.0566 0.1808 0.041 Uiso 1 1 calc R
C74 C 0.70432(11) -0.00181(9) 0.11841(10) 0.0352(5) Uani 1 1 d .
H74 H 0.7522 -0.0180 0.1125 0.042 Uiso 1 1 calc R
C75 C 0.67944(11) 0.04456(9) 0.08601(10) 0.0309(4) Uani 1 1 d .
H75 H 0.7100 0.0597 0.0574 0.037 Uiso 1 1 calc R
C76 C 0.60983(10) 0.06877(8) 0.09542(8) 0.0237(4) Uani 1 1 d .
H76 H 0.5930 0.1001 0.0727 0.028 Uiso 1 1 calc R
C81 C 0.43678(9) 0.10130(7) 0.08896(7) 0.0187(3) Uani 1 1 d .
C82 C 0.39451(11) 0.15128(8) 0.07917(8) 0.0256(4) Uani 1 1 d .
H82 H 0.3930 0.1818 0.1059 0.031 Uiso 1 1 calc R
C83 C 0.35430(12) 0.15656(10) 0.02995(9) 0.0332(4) Uani 1 1 d .
H83 H 0.3254 0.1907 0.0234 0.040 Uiso 1 1 calc R
C84 C 0.35635(12) 0.11237(10) -0.00934(9) 0.0332(4) Uani 1 1 d .
H84 H 0.3285 0.1160 -0.0426 0.040 Uiso 1 1 calc R
C85 C 0.39902(12) 0.06293(10) -0.00017(8) 0.0317(4) Uani 1 1 d .
H85 H 0.4009 0.0329 -0.0274 0.038 Uiso 1 1 calc R
C86 C 0.43916(11) 0.05707(8) 0.04863(8) 0.0255(4) Uani 1 1 d .
H86 H 0.4683 0.0230 0.0547 0.031 Uiso 1 1 calc R
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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 1.00 0.00 0.0650
0.00 -1.00 0.00 0.0650
0.00 0.00 1.00 0.0600
0.00 0.00 -1.00 0.0600
-2.00 0.00 1.00 0.1000
2.00 0.00 1.00 0.1100
-1.00 0.00 0.00 0.1100
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
N4 Ru1 N7 78.14(6)
N4 Ru1 O1 76.42(5)
N7 Ru1 O1 154.51(5)
N4 Ru1 P60 94.57(4)
N7 Ru1 P60 94.42(4)
O1 Ru1 P60 86.05(3)
N4 Ru1 P30 94.36(4)
N7 Ru1 P30 98.71(4)
O1 Ru1 P30 84.83(3)
P60 Ru1 P30 165.393(16)
N4 Ru1 Cl1 172.30(4)
N7 Ru1 Cl1 94.16(4)
O1 Ru1 Cl1 111.29(3)
P60 Ru1 Cl1 86.159(15)
P30 Ru1 Cl1 86.546(15)
C2 O1 Ru1 109.14(10)
O1 C2 N18 125.71(15)
O1 C2 N3 121.37(15)
N18 C2 N3 112.89(15)
C2 N3 N4 114.53(14)
C5 N4 N3 121.56(14)
C5 N4 Ru1 119.93(12)
N3 N4 Ru1 118.47(10)
N4 C5 C6 111.73(15)
N4 C5 C25 124.06(16)
C6 C5 C25 124.18(15)
N7 C6 C5 116.44(15)
C6 N7 N8 119.89(14)
C6 N7 Ru1 113.66(11)
N8 N7 Ru1 126.44(11)
N7 N8 C9 122.50(14)
O10 C9 N11 125.64(16)
O10 C9 N8 122.48(16)
N11 C9 N8 111.88(15)
C9 N11 C12 125.32(16)
C13 C12 C17 119.58(17)
C13 C12 N11 123.72(17)
C17 C12 N11 116.68(17)
C14 C13 C12 119.2(2)
C15 C14 C13 121.5(2)
C14 C15 C16 119.07(19)
C15 C16 C17 120.6(2)
C16 C17 C12 120.0(2)
C2 N18 C19 129.67(16)
C24 C19 C20 120.51(17)
C24 C19 N18 124.00(17)
C20 C19 N18 115.48(17)
C21 C20 C19 119.8(2)
C22 C21 C20 120.1(2)
C21 C22 C23 119.9(2)
C22 C23 C24 120.9(2)
C19 C24 C23 118.82(19)
C31 P30 C51 104.56(8)
C31 P30 C41 102.70(8)
C51 P30 C41 103.55(8)
C31 P30 Ru1 122.42(6)
C51 P30 Ru1 109.24(5)
C41 P30 Ru1 112.56(6)
C36 C31 C32 119.22(16)
C36 C31 P30 122.08(14)
C32 C31 P30 118.51(13)
C33 C32 C31 120.01(17)
C34 C33 C32 120.35(18)
C35 C34 C33 119.86(18)
C34 C35 C36 120.36(18)
C35 C36 C31 120.20(18)
C42 C41 C46 118.82(16)
C42 C41 P30 120.54(13)
C46 C41 P30 120.53(14)
C43 C42 C41 120.81(17)
C42 C43 C44 119.73(19)
C45 C44 C43 120.04(18)
C44 C45 C46 120.13(18)
C45 C46 C41 120.44(18)
C56 C51 C52 119.04(16)
C56 C51 P30 121.28(13)
C52 C51 P30 119.21(13)
C53 C52 C51 120.69(18)
C54 C53 C52 119.75(18)
C53 C54 C55 120.21(18)
C54 C55 C56 120.23(18)
C55 C56 C51 120.06(17)
C81 P60 C61 102.54(8)
C81 P60 C71 103.15(8)
C61 P60 C71 105.74(8)
C81 P60 Ru1 114.02(6)
C61 P60 Ru1 119.23(6)
C71 P60 Ru1 110.61(5)
C66 C61 C62 118.61(17)
C66 C61 P60 122.12(14)
C62 C61 P60 119.27(13)
C63 C62 C61 121.01(18)
C64 C63 C62 119.71(19)
C65 C64 C63 119.89(18)
C64 C65 C66 120.63(19)
C61 C66 C65 120.14(19)
C72 C71 C76 118.39(17)
C72 C71 P60 123.34(15)
C76 C71 P60 117.60(13)
C73 C72 C71 120.5(2)
C74 C73 C72 120.8(2)
C73 C74 C75 119.32(19)
C74 C75 C76 120.1(2)
C75 C76 C71 120.81(19)
C82 C81 C86 119.23(16)
C82 C81 P60 120.39(13)
C86 C81 P60 120.17(13)
C81 C82 C83 119.97(18)
C84 C83 C82 120.36(19)
C85 C84 C83 119.94(19)
C84 C85 C86 120.28(18)
C85 C86 C81 120.20(18)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Ru1 N4 1.9467(14)
Ru1 N7 2.0324(14)
Ru1 O1 2.2326(12)
Ru1 P60 2.3845(4)
Ru1 P30 2.3855(5)
Ru1 Cl1 2.4289(5)
O1 C2 1.261(2)
C2 N18 1.341(2)
C2 N3 1.365(2)
N3 N4 1.3680(19)
N4 C5 1.314(2)
C5 C6 1.431(2)
C5 C25 1.492(2)
C6 N7 1.328(2)
N7 N8 1.386(2)
N8 C9 1.415(2)
C9 O10 1.215(2)
C9 N11 1.358(2)
N11 C12 1.420(2)
C12 C13 1.394(3)
C12 C17 1.397(3)
C13 C14 1.394(3)
C14 C15 1.381(3)
C15 C16 1.385(3)
C16 C17 1.392(3)
N18 C19 1.416(2)
C19 C24 1.388(3)
C19 C20 1.394(3)
C20 C21 1.389(3)
C21 C22 1.380(4)
C22 C23 1.389(3)
C23 C24 1.392(3)
P30 C31 1.8246(17)
P30 C51 1.8292(17)
P30 C41 1.8321(17)
C31 C36 1.400(2)
C31 C32 1.401(3)
C32 C33 1.393(3)
C33 C34 1.391(3)
C34 C35 1.385(3)
C35 C36 1.392(3)
C41 C42 1.393(3)
C41 C46 1.397(2)
C42 C43 1.391(3)
C43 C44 1.393(3)
C44 C45 1.383(3)
C45 C46 1.393(3)
C51 C56 1.397(2)
C51 C52 1.403(2)
C52 C53 1.390(3)
C53 C54 1.389(3)
C54 C55 1.389(3)
C55 C56 1.396(3)
P60 C81 1.8251(17)
P60 C61 1.8282(17)
P60 C71 1.8298(17)
C61 C66 1.397(2)
C61 C62 1.398(3)
C62 C63 1.397(3)
C63 C64 1.387(3)
C64 C65 1.384(3)
C65 C66 1.398(3)
C71 C72 1.394(3)
C71 C76 1.401(3)
C72 C73 1.391(3)
C73 C74 1.383(3)
C74 C75 1.390(3)
C75 C76 1.391(3)
C81 C82 1.392(2)
C81 C86 1.403(2)
C82 C83 1.397(3)
C83 C84 1.384(3)
C84 C85 1.384(3)
C85 C86 1.389(3)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N3 H3 Cl2 0.88 2.29 3.0993(15) 153.5 .
N8 H8 Cl1 0.88 2.85 3.3024(16) 113.8 .
N11 H11 Cl2 0.88 2.31 3.1740(16) 169.0 6_556
N18 H18 Cl2 0.88 2.32 3.1609(16) 160.3 .
