#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:28:34 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179846 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/42/7014241.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_7014241
loop_
_publ_author_name
'Adams, Christopher J.'
'Bowen, Lucy E.'
'Humphrey, Mark G.'
'Morrall, Joseph P. L.'
'Samoc, Marek'
'Yellowlees, Lesley J.'
_publ_section_title
;
 Ruthenium bipyridyl compounds with two terminal alkynyl ligands.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4130
_journal_page_last               4138
_journal_paper_doi               10.1039/b411609g
_journal_year                    2004
_chemical_formula_sum            'C63 H46 Cl2 I2 N4 O4 P2 Ru'
_chemical_formula_weight         1410.75
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.982(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.979(2)
_cell_length_b                   13.4126(18)
_cell_length_c                   22.890(3)
_cell_measurement_temperature    100(2)
_cell_volume                     5699.9(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans with narrow frames'
_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  0.0656
_diffrn_reflns_av_sigmaI/netI    0.1191
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            40426
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.82
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.561
_exptl_absorpt_correction_T_max  0.646
_exptl_absorpt_correction_T_min  0.584
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   XPREP
_exptl_crystal_colour            Dark
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       Block
_exptl_crystal_F_000             2792
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.417
_refine_diff_density_min         -1.059
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.754
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     703
_refine_ls_number_reflns         13089
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.754
_refine_ls_R_factor_all          0.0731
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0090P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0610
_refine_ls_wR_factor_ref         0.0658
_reflns_number_gt                8245
_reflns_number_total             13089
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b411609g.txt
_cod_data_source_block           3c.DCM
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        5699.6(12)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7014241
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 -0.229696(18) 0.19802(2) 1.214440(14) 0.01585(8) Uani 1 1 d . . .
N1 N -0.18911(18) 0.2709(2) 1.29565(13) 0.0163(8) Uani 1 1 d . . .
C1 C -0.1236(2) 0.3097(3) 1.31166(17) 0.0208(10) Uani 1 1 d . . .
H1A H -0.0936 0.3093 1.2832 0.025 Uiso 1 1 calc R . .
C2 C -0.0965(2) 0.3507(3) 1.36698(17) 0.0211(10) Uani 1 1 d . . .
H2A H -0.0489 0.3766 1.3766 0.025 Uiso 1 1 calc R . .
C3 C -0.1405(2) 0.3530(3) 1.40815(16) 0.0177(10) Uani 1 1 d . . .
I1 I -0.097054(16) 0.39616(2) 1.495829(12) 0.02660(8) Uani 1 1 d . . .
C4 C -0.2098(2) 0.3169(3) 1.39216(17) 0.0189(10) Uani 1 1 d . . .
H4A H -0.2412 0.3201 1.4195 0.023 Uiso 1 1 calc R . .
C5 C -0.2336(2) 0.2757(3) 1.33557(17) 0.0155(9) Uani 1 1 d . . .
C6 C -0.3045(2) 0.2291(3) 1.31573(17) 0.0168(9) Uani 1 1 d . . .
C7 C -0.3580(2) 0.2279(3) 1.34932(17) 0.0196(10) Uani 1 1 d . . .
H7A H -0.3499 0.2591 1.3874 0.024 Uiso 1 1 calc R . .
C8 C -0.4226(2) 0.1811(3) 1.32711(18) 0.0205(10) Uani 1 1 d . . .
I2 I -0.504733(17) 0.17825(2) 1.375666(14) 0.03348(9) Uani 1 1 d . . .
C9 C -0.4341(2) 0.1382(3) 1.27114(18) 0.0226(10) Uani 1 1 d . . .
H9A H -0.4783 0.1060 1.2548 0.027 Uiso 1 1 calc R . .
C10 C -0.3792(2) 0.1432(3) 1.23924(17) 0.0213(10) Uani 1 1 d . . .
H10A H -0.3872 0.1141 1.2006 0.026 Uiso 1 1 calc R . .
N2 N -0.31589(17) 0.1870(2) 1.26036(13) 0.0150(8) Uani 1 1 d . . .
C11 C -0.2811(2) 0.1351(3) 1.13869(18) 0.0174(10) Uani 1 1 d . . .
C12 C -0.3143(2) 0.1060(3) 1.09118(19) 0.0206(10) Uani 1 1 d . . .
C13 C -0.3490(2) 0.0790(3) 1.03115(17) 0.0193(10) Uani 1 1 d . . .
C14 C -0.4221(2) 0.0963(3) 1.00917(18) 0.0260(11) Uani 1 1 d . . .
H14A H -0.4499 0.1263 1.0345 0.031 Uiso 1 1 calc R . .
C15 C -0.4552(2) 0.0709(3) 0.95155(19) 0.0287(11) Uani 1 1 d . . .
H15A H -0.5052 0.0823 0.9373 0.034 Uiso 1 1 calc R . .
C16 C -0.4139(2) 0.0284(3) 0.91485(18) 0.0254(11) Uani 1 1 d . . .
N3 N -0.4491(2) 0.0025(3) 0.85341(17) 0.0371(11) Uani 1 1 d . . .
O1 O -0.5136(2) 0.0201(3) 0.83753(14) 0.0538(11) Uani 1 1 d . . .
O2 O -0.41275(19) -0.0368(3) 0.82182(14) 0.0604(12) Uani 1 1 d . . .
C17 C -0.3422(2) 0.0103(3) 0.93443(19) 0.0282(11) Uani 1 1 d . . .
H17A H -0.3150 -0.0197 0.9087 0.034 Uiso 1 1 calc R . .
C18 C -0.3097(2) 0.0358(3) 0.99178(18) 0.0244(11) Uani 1 1 d . . .
H18A H -0.2596 0.0240 1.0052 0.029 Uiso 1 1 calc R . .
C19 C -0.1402(2) 0.2142(3) 1.18331(16) 0.0198(10) Uani 1 1 d . . .
C20 C -0.0849(2) 0.2216(3) 1.16688(16) 0.0138(9) Uani 1 1 d . . .
C21 C -0.0246(2) 0.2217(3) 1.13748(16) 0.0186(10) Uani 1 1 d . . .
C22 C 0.0160(2) 0.1349(3) 1.13463(17) 0.0223(10) Uani 1 1 d . . .
H22A H 0.0044 0.0760 1.1536 0.027 Uiso 1 1 calc R . .
C23 C 0.0725(2) 0.1328(3) 1.10493(17) 0.0247(11) Uani 1 1 d . . .
H23A H 0.0996 0.0735 1.1037 0.030 Uiso 1 1 calc R . .
C24 C 0.0889(2) 0.2190(3) 1.07690(17) 0.0210(10) Uani 1 1 d . . .
N4 N 0.1478(2) 0.2169(3) 1.04520(15) 0.0290(10) Uani 1 1 d . . .
O3 O 0.18546(17) 0.1416(2) 1.04873(13) 0.0374(9) Uani 1 1 d . . .
O4 O 0.15826(16) 0.2908(2) 1.01677(13) 0.0374(9) Uani 1 1 d . . .
C25 C 0.0502(2) 0.3060(3) 1.07871(16) 0.0207(10) Uani 1 1 d . . .
H25A H 0.0619 0.3644 1.0592 0.025 Uiso 1 1 calc R . .
C26 C -0.0053(2) 0.3075(3) 1.10891(17) 0.0230(10) Uani 1 1 d . . .
H26A H -0.0313 0.3677 1.1105 0.028 Uiso 1 1 calc R . .
P1 P -0.17657(6) 0.04697(8) 1.25378(5) 0.0173(3) Uani 1 1 d . . .
C1A C -0.1013(2) 0.0633(3) 1.31743(16) 0.0174(10) Uani 1 1 d . . .
C1B C -0.1131(2) 0.0881(3) 1.37393(17) 0.0208(10) Uani 1 1 d . . .
H1BA H -0.1610 0.0962 1.3795 0.025 Uiso 1 1 calc R . .
C1C C -0.0559(2) 0.1011(3) 1.42214(17) 0.0231(10) Uani 1 1 d . . .
H1CA H -0.0652 0.1167 1.4603 0.028 Uiso 1 1 calc R . .
C1D C 0.0141(2) 0.0915(3) 1.41523(18) 0.0232(10) Uani 1 1 d . . .
H1DA H 0.0529 0.0987 1.4486 0.028 Uiso 1 1 calc R . .
C1E C 0.0272(2) 0.0713(3) 1.35936(18) 0.0252(11) Uani 1 1 d . . .
H1EA H 0.0753 0.0672 1.3537 0.030 Uiso 1 1 calc R . .
C1F C -0.0302(2) 0.0570(3) 1.31131(18) 0.0221(10) Uani 1 1 d . . .
H1FA H -0.0204 0.0426 1.2732 0.027 Uiso 1 1 calc R . .
C1G C -0.2375(2) -0.0409(3) 1.27960(18) 0.0186(10) Uani 1 1 d . . .
C1H C -0.2995(2) -0.0649(3) 1.23899(18) 0.0210(10) Uani 1 1 d . . .
H1HA H -0.3085 -0.0343 1.2007 0.025 Uiso 1 1 calc R . .
C1I C -0.3494(2) -0.1326(3) 1.25249(19) 0.0266(11) Uani 1 1 d . . .
H1IA H -0.3915 -0.1489 1.2237 0.032 Uiso 1 1 calc R . .
C1J C -0.3364(2) -0.1758(3) 1.30863(19) 0.0265(11) Uani 1 1 d . . .
H1JA H -0.3703 -0.2212 1.3188 0.032 Uiso 1 1 calc R . .
C1K C -0.2747(2) -0.1535(3) 1.34985(19) 0.0245(11) Uani 1 1 d . . .
H1KA H -0.2664 -0.1834 1.3883 0.029 Uiso 1 1 calc R . .
C1L C -0.2246(2) -0.0875(3) 1.33545(18) 0.0220(10) Uani 1 1 d . . .
H1LA H -0.1814 -0.0740 1.3636 0.026 Uiso 1 1 calc R . .
C1M C -0.1383(2) -0.0385(3) 1.20607(17) 0.0180(10) Uani 1 1 d . . .
C1N C -0.1474(2) -0.0227(3) 1.14472(17) 0.0195(10) Uani 1 1 d . . .
H1NA H -0.1704 0.0361 1.1271 0.023 Uiso 1 1 calc R . .
C1O C -0.1226(2) -0.0935(3) 1.10947(17) 0.0208(10) Uani 1 1 d . . .
H1OA H -0.1296 -0.0832 1.0676 0.025 Uiso 1 1 calc R . .
C1P C -0.0883(2) -0.1775(3) 1.13426(18) 0.0227(10) Uani 1 1 d . . .
H1PA H -0.0722 -0.2257 1.1096 0.027 Uiso 1 1 calc R . .
C1Q C -0.0769(2) -0.1927(3) 1.19546(18) 0.0227(10) Uani 1 1 d . . .
H1QA H -0.0514 -0.2499 1.2129 0.027 Uiso 1 1 calc R . .
C1R C -0.1028(2) -0.1243(3) 1.23078(18) 0.0213(10) Uani 1 1 d . . .
H1RA H -0.0964 -0.1359 1.2725 0.026 Uiso 1 1 calc R . .
P2 P -0.27772(6) 0.34540(8) 1.16621(5) 0.0181(3) Uani 1 1 d . . .
C2A C -0.3749(2) 0.3532(3) 1.14643(18) 0.0196(10) Uani 1 1 d . . .
C2B C -0.4114(2) 0.3536(3) 1.08660(19) 0.0291(12) Uani 1 1 d . . .
H2BA H -0.3848 0.3465 1.0560 0.035 Uiso 1 1 calc R . .
C2C C -0.4858(3) 0.3643(3) 1.0711(2) 0.0381(13) Uani 1 1 d . . .
H2CA H -0.5093 0.3650 1.0302 0.046 Uiso 1 1 calc R . .
C2D C -0.5255(3) 0.3738(4) 1.1150(2) 0.0402(14) Uani 1 1 d . . .
H2DA H -0.5763 0.3814 1.1044 0.048 Uiso 1 1 calc R . .
C2E C -0.4908(2) 0.3722(3) 1.1741(2) 0.0317(12) Uani 1 1 d . . .
H2EA H -0.5178 0.3790 1.2045 0.038 Uiso 1 1 calc R . .
C2F C -0.4171(2) 0.3608(3) 1.18951(18) 0.0249(11) Uani 1 1 d . . .
H2FA H -0.3943 0.3580 1.2306 0.030 Uiso 1 1 calc R . .
C2G C -0.2500(2) 0.4577(3) 1.21011(17) 0.0193(10) Uani 1 1 d . . .
C2H C -0.2947(2) 0.5204(3) 1.23415(18) 0.0297(12) Uani 1 1 d . . .
H2HA H -0.3444 0.5048 1.2294 0.036 Uiso 1 1 calc R . .
C2I C -0.2674(3) 0.6062(3) 1.2652(2) 0.0381(13) Uani 1 1 d . . .
H2IA H -0.2984 0.6474 1.2824 0.046 Uiso 1 1 calc R . .
C2J C -0.1963(3) 0.6316(3) 1.27121(19) 0.0323(12) Uani 1 1 d . . .
H2JA H -0.1784 0.6916 1.2909 0.039 Uiso 1 1 calc R . .
C2K C -0.1511(3) 0.5693(3) 1.24836(18) 0.0291(12) Uani 1 1 d . . .
H2KA H -0.1015 0.5855 1.2531 0.035 Uiso 1 1 calc R . .
C2L C -0.1777(2) 0.4835(3) 1.21864(17) 0.0257(11) Uani 1 1 d . . .
H2LA H -0.1458 0.4408 1.2036 0.031 Uiso 1 1 calc R . .
C2M C -0.2529(2) 0.3850(3) 1.09672(17) 0.0220(10) Uani 1 1 d . . .
C2N C -0.2201(2) 0.3239(3) 1.06193(17) 0.0211(10) Uani 1 1 d . . .
H2NA H -0.2100 0.2564 1.0733 0.025 Uiso 1 1 calc R . .
C2O C -0.2020(2) 0.3605(3) 1.01069(18) 0.0296(12) Uani 1 1 d . . .
H2OA H -0.1789 0.3181 0.9872 0.036 Uiso 1 1 calc R . .
C2P C -0.2169(3) 0.4577(4) 0.9932(2) 0.0391(14) Uani 1 1 d . . .
H2PA H -0.2032 0.4823 0.9582 0.047 Uiso 1 1 calc R . .
C2Q C -0.2515(3) 0.5193(3) 1.0263(2) 0.0399(14) Uani 1 1 d . . .
H2QA H -0.2633 0.5857 1.0136 0.048 Uiso 1 1 calc R . .
C2R C -0.2688(2) 0.4834(3) 1.07799(18) 0.0285(12) Uani 1 1 d . . .
H2RA H -0.2919 0.5262 1.1013 0.034 Uiso 1 1 calc R . .
C100 C -0.7050(3) 0.1859(4) 0.93249(19) 0.0435(14) Uani 1 1 d . . .
H10B H -0.7015 0.1150 0.9212 0.052 Uiso 1 1 calc R . .
H10C H -0.7460 0.1923 0.9528 0.052 Uiso 1 1 calc R . .
Cl1 Cl -0.62499(7) 0.22079(11) 0.98234(6) 0.0573(4) Uani 1 1 d . . .
Cl2 Cl -0.72138(8) 0.25887(9) 0.86802(6) 0.0467(4) 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'
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'
I I -0.4742 1.8119 '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_
_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
C19 Ru1 C11 92.01(15) . . ?
C19 Ru1 N1 94.76(14) . . ?
C11 Ru1 N1 172.31(14) . . ?
C19 Ru1 N2 171.39(14) . . ?
C11 Ru1 N2 96.46(14) . . ?
N1 Ru1 N2 76.89(12) . . ?
C19 Ru1 P2 90.97(11) . . ?
C11 Ru1 P2 82.83(12) . . ?
N1 Ru1 P2 93.40(9) . . ?
N2 Ru1 P2 91.58(9) . . ?
C19 Ru1 P1 84.31(11) . . ?
C11 Ru1 P1 93.57(12) . . ?
N1 Ru1 P1 90.73(9) . . ?
N2 Ru1 P1 93.63(9) . . ?
P2 Ru1 P1 173.98(4) . . ?
C1 N1 C5 118.0(3) . . ?
C1 N1 Ru1 125.3(3) . . ?
C5 N1 Ru1 116.7(3) . . ?
N1 C1 C2 124.1(4) . . ?
C1 C2 C3 118.1(4) . . ?
C4 C3 C2 119.3(4) . . ?
C4 C3 I1 121.2(3) . . ?
C2 C3 I1 119.2(3) . . ?
C3 C4 C5 119.5(4) . . ?
N1 C5 C4 120.9(4) . . ?
N1 C5 C6 115.3(3) . . ?
C4 C5 C6 123.7(3) . . ?
N2 C6 C7 121.0(4) . . ?
N2 C6 C5 114.9(3) . . ?
C7 C6 C5 124.1(4) . . ?
C8 C7 C6 119.7(4) . . ?
C7 C8 C9 119.3(4) . . ?
C7 C8 I2 121.1(3) . . ?
C9 C8 I2 119.6(3) . . ?
C8 C9 C10 118.4(4) . . ?
N2 C10 C9 123.1(4) . . ?
C10 N2 C6 118.4(3) . . ?
C10 N2 Ru1 125.4(3) . . ?
C6 N2 Ru1 116.2(3) . . ?
C12 C11 Ru1 173.9(4) . . ?
C11 C12 C13 173.3(4) . . ?
C14 C13 C18 117.2(4) . . ?
C14 C13 C12 121.7(4) . . ?
C18 C13 C12 121.1(4) . . ?
C15 C14 C13 121.6(4) . . ?
C14 C15 C16 118.7(4) . . ?
C17 C16 C15 121.7(4) . . ?
C17 C16 N3 119.8(4) . . ?
C15 C16 N3 118.4(4) . . ?
O2 N3 O1 124.1(4) . . ?
O2 N3 C16 118.1(4) . . ?
O1 N3 C16 117.8(4) . . ?
C16 C17 C18 119.3(4) . . ?
C17 C18 C13 121.5(4) . . ?
C20 C19 Ru1 177.0(4) . . ?
C19 C20 C21 169.7(4) . . ?
C22 C21 C26 117.3(4) . . ?
C22 C21 C20 121.2(4) . . ?
C26 C21 C20 121.6(4) . . ?
C23 C22 C21 121.9(4) . . ?
C22 C23 C24 118.7(4) . . ?
C25 C24 C23 121.1(4) . . ?
C25 C24 N4 120.0(4) . . ?
C23 C24 N4 118.9(4) . . ?
O4 N4 O3 122.9(4) . . ?
O4 N4 C24 118.4(4) . . ?
O3 N4 C24 118.7(4) . . ?
C26 C25 C24 119.6(4) . . ?
C25 C26 C21 121.4(4) . . ?
C1A P1 C1G 105.12(18) . . ?
C1A P1 C1M 102.07(18) . . ?
C1G P1 C1M 98.33(18) . . ?
C1A P1 Ru1 113.76(13) . . ?
C1G P1 Ru1 115.28(14) . . ?
C1M P1 Ru1 120.03(14) . . ?
C1F C1A C1B 117.0(4) . . ?
C1F C1A P1 121.8(3) . . ?
C1B C1A P1 121.1(3) . . ?
C1C C1B C1A 121.1(4) . . ?
C1D C1C C1B 120.7(4) . . ?
C1C C1D C1E 119.3(4) . . ?
C1D C1E C1F 119.8(4) . . ?
C1A C1F C1E 122.0(4) . . ?
C1H C1G C1L 118.4(4) . . ?
C1H C1G P1 116.1(3) . . ?
C1L C1G P1 125.4(3) . . ?
C1G C1H C1I 121.8(4) . . ?
C1J C1I C1H 118.7(4) . . ?
C1K C1J C1I 120.6(4) . . ?
C1J C1K C1L 120.2(4) . . ?
C1K C1L C1G 120.2(4) . . ?
C1R C1M C1N 118.8(4) . . ?
C1R C1M P1 119.5(3) . . ?
C1N C1M P1 121.6(3) . . ?
C1O C1N C1M 119.7(4) . . ?
C1P C1O C1N 120.8(4) . . ?
C1O C1P C1Q 120.2(4) . . ?
C1R C1Q C1P 119.6(4) . . ?
C1Q C1R C1M 120.9(4) . . ?
C2A P2 C2G 104.60(19) . . ?
C2A P2 C2M 101.46(19) . . ?
C2G P2 C2M 98.16(18) . . ?
C2A P2 Ru1 116.21(13) . . ?
C2G P2 Ru1 113.30(14) . . ?
C2M P2 Ru1 120.49(14) . . ?
C2F C2A C2B 116.8(4) . . ?
C2F C2A P2 122.1(3) . . ?
C2B C2A P2 121.1(3) . . ?
C2C C2B C2A 121.3(4) . . ?
C2D C2C C2B 120.2(4) . . ?
C2E C2D C2C 119.4(5) . . ?
C2F C2E C2D 120.4(4) . . ?
C2E C2F C2A 121.8(4) . . ?
C2H C2G C2L 117.5(4) . . ?
C2H C2G P2 126.0(3) . . ?
C2L C2G P2 116.5(3) . . ?
C2G C2H C2I 120.6(4) . . ?
C2J C2I C2H 120.7(4) . . ?
C2K C2J C2I 119.3(4) . . ?
C2J C2K C2L 120.0(4) . . ?
C2K C2L C2G 121.8(4) . . ?
C2N C2M C2R 118.6(4) . . ?
C2N C2M P2 123.9(3) . . ?
C2R C2M P2 117.5(3) . . ?
C2M C2N C2O 120.1(4) . . ?
C2P C2O C2N 120.8(4) . . ?
C2Q C2P C2O 120.1(4) . . ?
C2P C2Q C2R 119.3(4) . . ?
C2Q C2R C2M 121.1(4) . . ?
Cl2 C100 Cl1 112.1(3) . . ?
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 C19 1.986(4) . ?
Ru1 C11 1.992(4) . ?
Ru1 N1 2.100(3) . ?
Ru1 N2 2.125(3) . ?
Ru1 P2 2.3536(12) . ?
Ru1 P1 2.3569(12) . ?
N1 C1 1.327(5) . ?
N1 C5 1.368(4) . ?
C1 C2 1.378(5) . ?
C2 C3 1.383(5) . ?
C3 C4 1.378(5) . ?
C3 I1 2.087(4) . ?
C4 C5 1.394(5) . ?
C5 C6 1.469(5) . ?
C6 N2 1.363(4) . ?
C6 C7 1.395(5) . ?
C7 C8 1.376(5) . ?
C8 C9 1.380(5) . ?
C8 I2 2.094(4) . ?
C9 C10 1.392(5) . ?
C10 N2 1.334(5) . ?
C11 C12 1.203(5) . ?
C12 C13 1.441(5) . ?
C13 C14 1.395(5) . ?
C13 C18 1.408(5) . ?
C14 C15 1.380(5) . ?
C15 C16 1.385(5) . ?
C16 C17 1.363(6) . ?
C16 N3 1.468(5) . ?
N3 O2 1.217(4) . ?
N3 O1 1.226(5) . ?
C17 C18 1.372(5) . ?
C19 C20 1.190(5) . ?
C20 C21 1.443(5) . ?
C21 C22 1.405(5) . ?
C21 C26 1.409(5) . ?
C22 C23 1.384(5) . ?
C23 C24 1.389(5) . ?
C24 C25 1.385(5) . ?
C24 N4 1.453(5) . ?
N4 O4 1.225(4) . ?
N4 O3 1.230(4) . ?
C25 C26 1.375(5) . ?
P1 C1A 1.829(4) . ?
P1 C1G 1.833(4) . ?
P1 C1M 1.834(4) . ?
C1A C1F 1.389(5) . ?
C1A C1B 1.398(5) . ?
C1B C1C 1.389(5) . ?
C1C C1D 1.375(5) . ?
C1D C1E 1.379(5) . ?
C1E C1F 1.391(6) . ?
C1G C1H 1.378(5) . ?
C1G C1L 1.398(5) . ?
C1H C1I 1.392(5) . ?
C1I C1J 1.384(5) . ?
C1J C1K 1.374(6) . ?
C1K C1L 1.388(5) . ?
C1M C1R 1.393(5) . ?
C1M C1N 1.395(5) . ?
C1N C1O 1.390(5) . ?
C1O C1P 1.365(5) . ?
C1P C1Q 1.387(5) . ?
C1Q C1R 1.380(5) . ?
P2 C2A 1.809(4) . ?
P2 C2G 1.827(4) . ?
P2 C2M 1.829(4) . ?
C2A C2F 1.396(5) . ?
C2A C2B 1.400(5) . ?
C2B C2C 1.388(6) . ?
C2C C2D 1.381(6) . ?
C2D C2E 1.377(6) . ?
C2E C2F 1.379(6) . ?
C2G C2H 1.387(5) . ?
C2G C2L 1.388(5) . ?
C2H C2I 1.394(6) . ?
C2I C2J 1.372(6) . ?
C2J C2K 1.376(6) . ?
C2K C2L 1.379(5) . ?
C2M C2N 1.378(5) . ?
C2M C2R 1.401(5) . ?
C2N C2O 1.380(5) . ?
C2O C2P 1.376(6) . ?
C2P C2Q 1.376(5) . ?
C2Q C2R 1.379(5) . ?
C100 Cl2 1.744(4) . ?
C100 Cl1 1.763(5) . ?
