#------------------------------------------------------------------------------
#$Date: 2017-03-29 15:46:26 +0300 (Wed, 29 Mar 2017) $
#$Revision: 194583 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/10/2011024.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2011024
loop_
_publ_author_name
'Venegas-Yazigi, Diego'
'Mirza, Hameed'
'Lever, A. B. P.'
'Lough, Alan J.'
'Costamagna, Juan'
'Vega, Andrés'
'Latorre, Ramón'
_publ_section_title
;(o-Benzoquinone
 diimine-N,N')dichlorobis(triphenylphosphine-P)ruthenium(II)
 1.33-methanol 0.33-dichloromethane solvate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e245
_journal_page_last               e246
_journal_paper_doi               10.1107/S0108270100006144
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac
'[Ru Cl2 (C18 H15 P)2 (C6 H6 N2)], 1.33C1 H4 O1, 0.33C1 H2 Cl2'
_chemical_formula_moiety
'C42 H36 Cl2 N2 P2 Ru, 1.33C1 H4 O1, 0.33C1 H2 Cl2'
_chemical_formula_sum            'C43.67 H42 Cl2.67 N2 O1.33 P2 Ru'
_chemical_formula_weight         873.67
_chemical_name_systematic
o-benzoquinonediimine-dichloro-bis(triphenylphosphine)ruthenium(II)
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 133.694(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   47.7172(11)
_cell_length_b                   10.3463(2)
_cell_length_c                   33.7261(8)
_cell_measurement_reflns_used    39381
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.35
_cell_measurement_theta_min      4.09
_cell_volume                     12038.9(17)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'KappaCCD server software (Nonius, 1997)'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full .993
_diffrn_measured_fraction_theta_max .993
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'φ and ω scans with κ offsets'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .067
_diffrn_reflns_av_sigmaI/netI    .0826
_diffrn_reflns_limit_h_max       59
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            39381
_diffrn_reflns_theta_full        26.35
_diffrn_reflns_theta_max         26.35
_diffrn_reflns_theta_min         4.09
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    .686
_exptl_absorpt_correction_T_max  .862
_exptl_absorpt_correction_T_min  .807
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(DENZO-SMN; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5208
_exptl_crystal_size_max          .35
_exptl_crystal_size_mid          .26
_exptl_crystal_size_min          .24
_refine_diff_density_max         .837
_refine_diff_density_min         -.500
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   .991
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     701
_refine_ls_number_reflns         12170
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      .991
_refine_ls_R_factor_all          .075
_refine_ls_R_factor_gt           .041
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0516P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .106
_reflns_number_gt                8058
_reflns_number_total             12170
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            qa0217.cif
_cod_data_source_block           I
_cod_depositor_comments
;
 Removing the "\" symbol from the _chemical_name_systematic
 data item value.

 Antanas Vaitkus,
 2017-03-29

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.

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (20 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

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.

'_geom_bond_publ_flag' value 'Y' changed to 'y'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (20
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (15 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        12038.9(5)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2011024
_cod_database_fobs_code          2011024
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Ru1A .806441(8) .14175(2) .396487(12) .01660(8) Uani d . 1 . . Ru
Cl1A .83308(3) .28208(8) .47384(4) .0269(2) Uani d . 1 . . Cl
Cl2A .78152(3) .31154(8) .32901(4) .0263(2) Uani d . 1 . . Cl
P1A .74687(2) .14053(8) .37526(4) .0187(2) Uani d . 1 . . P
P2A .86792(3) .14773(8) .42348(4) .0185(2) Uani d . 1 . . P
N1A .82237(8) -.0179(2) .43993(12) .0199(7) Uani d . 1 . . N
H1AA .8358 -.0147 .4752 .024 Uiso calc R 1 . . H
N2A .78661(8) .0054(2) .34154(12) .0196(7) Uani d . 1 . . N
H2AA .7748 .0253 .3077 .024 Uiso calc R 1 . . H
C1A .81215(10) -.1297(3) .41406(15) .0228(8) Uani d . 1 . . C
C2A .79150(10) -.1162(3) .35685(15) .0219(8) Uani d . 1 . . C
C3A .77892(11) -.2290(3) .32409(18) .0333(10) Uani d . 1 . . C
H3AA .7654 -.2222 .2864 .040 Uiso calc R 1 . . H
C4A .78658(12) -.3464(3) .3477(2) .0411(12) Uani d . 1 . . C
H4AA .7779 -.4219 .3259 .049 Uiso calc R 1 . . H
C5A .80727(11) -.3599(4) .40417(19) .0381(11) Uani d . 1 . . C
H5AA .8123 -.4441 .4191 .046 Uiso calc R 1 . . H
C6A .81998(10) -.2556(3) .43732(17) .0294(9) Uani d . 1 . . C
H6AA .8337 -.2661 .4749 .035 Uiso calc R 1 . . H
C11A .70766(10) .0513(3) .31265(15) .0232(8) Uani d . 1 . . C
C12A .70055(11) .0775(4) .26583(16) .0309(9) Uani d . 1 . . C
H12A .7157 .1408 .2673 .037 Uiso calc R 1 . . H
C13A .67205(12) .0133(4) .21777(18) .0480(12) Uani d . 1 . . C
H13A .6676 .0323 .1862 .058 Uiso calc R 1 . . H
C14A .64998(13) -.0779(5) .2148(2) .0566(14) Uani d . 1 . . C
H14A .6308 -.1239 .1815 .068 Uiso calc R 1 . . H
C15A .65529(12) -.1038(4) .25979(19) .0472(12) Uani d . 1 . . C
H15A .6395 -.1660 .2573 .057 Uiso calc R 1 . . H
C16A .68385(10) -.0384(4) .30865(17) .0364(10) Uani d . 1 . . C
H16A .6872 -.0545 .3395 .044 Uiso calc R 1 . . H
C21A .75470(9) .0611(3) .43008(14) .0213(8) Uani d . 1 . . C
C22A .75663(10) -.0757(3) .43461(16) .0271(9) Uani d . 1 . . C
H22A .7503 -.1271 .4060 .033 Uiso calc R 1 . . H
C23A .76757(10) -.1347(4) .48028(16) .0292(9) Uani d . 1 . . C
H23A .7687 -.2263 .4828 .035 Uiso calc R 1 . . H
C24A .77681(10) -.0623(4) .52222(16) .0320(9) Uani d . 1 . . C
H24A .7838 -.1037 .5532 .038 Uiso calc R 1 . . H
C25A .77579(10) .0717(4) .51900(16) .0318(9) Uani d . 1 . . C
H25A .7826 .1224 .5481 .038 Uiso calc R 1 . . H
C26A .76477(10) .1318(3) .47293(15) .0254(8) Uani d . 1 . . C
H26A .7642 .2235 .4711 .031 Uiso calc R 1 . . H
C31A .72172(10) .2896(3) .36456(14) .0225(8) Uani d . 1 . . C
C32A .68496(11) .2817(4) .34522(15) .0314(9) Uani d . 1 . . C
H32A .6738 .1996 .3394 .038 Uiso calc R 1 . . H
C33A .66449(12) .3935(4) .33430(17) .0425(11) Uani d . 1 . . C
H33A .6394 .3875 .3213 .051 Uiso calc R 1 . . H
C34A .68055(13) .5140(4) .34238(18) .0441(12) Uani d . 1 . . C
H34A .6662 .5902 .3341 .053 Uiso calc R 1 . . H
C35A .71725(13) .5229(4) .36247(17) .0405(11) Uani d . 1 . . C
H35A .7284 .6052 .3683 .049 Uiso calc R 1 . . H
C36A .73814(12) .4097(3) .37432(16) .0323(10) Uani d . 1 . . C
H36A .7637 .4158 .3892 .039 Uiso calc R 1 . . H
C41A .90721(10) .0760(3) .49074(15) .0204(8) Uani d . 1 . . C
C42A .90831(10) -.0558(3) .49983(16) .0268(9) Uani d . 1 . . C
H42A .8890 -.1110 .4702 .032 Uiso calc R 1 . . H
C43A .93738(11) -.1072(4) .55177(18) .0380(11) Uani d . 1 . . C
H43A .9376 -.1973 .5574 .046 Uiso calc R 1 . . H
C44A .96620(11) -.0289(4) .59565(17) .0409(11) Uani d . 1 . . C
H44A .9864 -.0651 .6310 .049 Uiso calc R 1 . . H
C45A .96522(12) .1021(4) .58730(17) .0361(10) Uani d . 1 . . C
H45A .9847 .1569 .6170 .043 Uiso calc R 1 . . H
C46A .93558(10) .1538(4) .53526(15) .0275(9) Uani d . 1 . . C
H46A .9347 .2445 .5301 .033 Uiso calc R 1 . . H
C51A .88941(10) .3010(3) .42790(14) .0217(8) Uani d . 1 . . C
C52A .92033(11) .2991(4) .43215(16) .0330(10) Uani d . 1 . . C
H52A .9297 .2190 .4313 .040 Uiso calc R 1 . . H
C53A .93799(12) .4147(4) .43772(18) .0456(12) Uani d . 1 . . C
H53A .9592 .4132 .4405 .055 Uiso calc R 1 . . H
C54A .92462(13) .5303(4) .43919(18) .0460(12) Uani d . 1 . . C
H54A .9366 .6089 .4429 .055 Uiso calc R 1 . . H
C55A .89423(12) .5327(4) .43531(17) .0390(11) Uani d . 1 . . C
H55A .8852 .6130 .4366 .047 Uiso calc R 1 . . H
C56A .87637(11) .4189(3) .42956(15) .0290(9) Uani d . 1 . . C
H56A .8552 .4216 .4267 .035 Uiso calc R 1 . . H
C61A .86493(10) .0565(3) .37419(15) .0245(8) Uani d . 1 . . C
C62A .83690(11) .0964(4) .32007(17) .0379(10) Uani d . 1 . . C
H62A .8227 .1733 .3113 .046 Uiso calc R 1 . . H
C63A .82927(13) .0263(5) .27870(19) .0506(13) Uani d . 1 . . C
H63A .8104 .0566 .2420 .061 Uiso calc R 1 . . H
C64A .84874(16) -.0866(5) .2901(2) .0554(14) Uani d . 1 . . C
H64A .8428 -.1361 .2614 .066 Uiso calc R 1 . . H
C65A .87627(17) -.1264(4) .3424(2) .0607(15) Uani d . 1 . . C
H65A .8899 -.2042 .3503 .073 Uiso calc R 1 . . H
C66A .88549(13) -.0553(4) .38588(19) .0436(11) Uani d . 1 . . C
H66A .9055 -.0837 .4227 .052 Uiso calc R 1 . . H
Ru1B 1.0000 .38941(3) .2500 .01552(10) Uani d S 1 . . Ru
N1B .97292(8) .5383(2) .19882(12) .0188(6) Uani d . 1 . . N
H1BA .9540 .5269 .1632 .023 Uiso calc R 1 . . H
Cl1B .96098(2) .23415(7) .17459(4) .0219(2) Uani d . 1 . . Cl
P1B .95256(3) .37937(8) .25557(4) .0187(2) Uani d . 1 . . P
C1B .98452(9) .6553(3) .22046(14) .0180(8) Uani d . 1 . . C
C5B .98505(10) .8864(3) .22077(16) .0282(9) Uani d . 1 . . C
H5B .9758 .9665 .2017 .034 Uiso calc R 1 . . H
C6B .96959(10) .7749(3) .19181(15) .0240(8) Uani d . 1 . . C
H6BA .9491 .7766 .1530 .029 Uiso calc R 1 . . H
C11B .96279(10) .4843(3) .30807(16) .0238(8) Uani d . 1 . . C
C12B .99965(11) .4741(3) .36117(16) .0288(9) Uani d . 1 . . C
H12B 1.0188 .4220 .3676 .035 Uiso calc R 1 . . H
C13B 1.00832(13) .5390(4) .40417(18) .0408(11) Uani d . 1 . . C
H13B 1.0334 .5312 .4400 .049 Uiso calc R 1 . . H
C14B .98081(15) .6152(4) .3956(2) .0480(13) Uani d . 1 . . C
H14B .9871 .6600 .4254 .058 Uiso calc R 1 . . H
C15B .94454(15) .6263(4) .3441(2) .0449(12) Uani d . 1 . . C
H15B .9257 .6789 .3384 .054 Uiso calc R 1 . . H
C16B .93496(12) .5608(3) .29976(18) .0336(10) Uani d . 1 . . C
H16B .9097 .5684 .2642 .040 Uiso calc R 1 . . H
C21B .90452(10) .4264(3) .19137(15) .0237(8) Uani d . 1 . . C
C22B .89710(11) .5571(3) .17429(17) .0310(9) Uani d . 1 . . C
H22B .9163 .6209 .1979 .037 Uiso calc R 1 . . H
C23B .86160(12) .5925(4) .12287(19) .0424(11) Uani d . 1 . . C
H23B .8565 .6806 .1118 .051 Uiso calc R 1 . . H
C24B .83394(11) .4990(4) .08810(18) .0447(12) Uani d . 1 . . C
H24B .8099 .5230 .0530 .054 Uiso calc R 1 . . H
C25B .84092(11) .3721(4) .10398(18) .0411(11) Uani d . 1 . . C
H25B .8217 .3087 .0799 .049 Uiso calc R 1 . . H
C26B .87616(10) .3354(4) .15537(16) .0305(9) Uani d . 1 . . C
H26B .8808 .2469 .1658 .037 Uiso calc R 1 . . H
C31B .94397(9) .2243(3) .27285(14) .0200(8) Uani d . 1 . . C
C32B .93407(10) .2228(3) .30343(15) .0283(9) Uani d . 1 . . C
H32B .9330 .3013 .3169 .034 Uiso calc R 1 . . H
C33B .92590(11) .1062(3) .31400(17) .0341(10) Uani d . 1 . . C
H33B .9186 .1051 .3340 .041 Uiso calc R 1 . . H
C34B .92843(11) -.0095(4) .29531(17) .0345(10) Uani d . 1 . . C
H34B .9231 -.0893 .3029 .041 Uiso calc R 1 . . H
C35B .93858(10) -.0078(3) .26605(16) .0317(10) Uani d . 1 . . C
H35B .9402 -.0866 .2533 .038 Uiso calc R 1 . . H
C36B .94650(10) .1090(3) .25468(15) .0250(9) Uani d . 1 . . C
H36B .9536 .1093 .2345 .030 Uiso calc R 1 . . H
O1S .91048(7) .5748(2) .07668(11) .0375(7) Uani d . 1 . . O
H1S .8953 .6347 .0554 .056 Uiso calc R 1 . . H
O2S .87164(8) -.1094(3) .56545(13) .0539(9) Uani d . 1 . . O
H2S .8922 -.1525 .5840 .081 Uiso calc R 1 . . H
C1S .89201(12) .4535(3) .05246(17) .0398(11) Uani d . 1 . . C
H1S1 .8943 .4289 .0268 .060 Uiso calc R 1 . . H
H1S2 .8645 .4604 .0327 .060 Uiso calc R 1 . . H
H1S3 .9044 .3877 .0812 .060 Uiso calc R 1 . . H
C2S .87957(13) .0112(4) .5907(2) .0596(14) Uani d . 1 . . C
H2S1 .8851 -.0007 .6243 .089 Uiso calc R 1 . . H
H2S2 .8570 .0681 .5655 .089 Uiso calc R 1 . . H
H2S3 .9021 .0504 .5997 .089 Uiso calc R 1 . . H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P .1023 .0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl .1484 .1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 .8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N2A Ru1A N1A . . 77.78(12) y
N2A Ru1A P2A . . 92.42(8) y
N1A Ru1A P2A . . 89.83(8) y
N2A Ru1A P1A . . 90.88(8) y
N1A Ru1A P1A . . 89.23(8) y
P2A Ru1A P1A . . 176.30(3) y
N2A Ru1A Cl2A . . 91.74(8) y
N1A Ru1A Cl2A . . 169.51(9) y
P2A Ru1A Cl2A . . 90.90(3) y
P1A Ru1A Cl2A . . 90.67(3) y
N2A Ru1A Cl1A . . 170.83(8) y
N1A Ru1A Cl1A . . 93.16(9) y
P2A Ru1A Cl1A . . 88.95(3) y
P1A Ru1A Cl1A . . 87.54(3) y
Cl2A Ru1A Cl1A . . 97.31(3) y
C21A P1A C31A . . 103.20(16) ?
C21A P1A C11A . . 105.93(17) ?
C31A P1A C11A . . 100.90(15) ?
C21A P1A Ru1A . . 109.31(11) ?
C31A P1A Ru1A . . 122.25(12) ?
C11A P1A Ru1A . . 113.70(12) ?
C41A P2A C61A . . 106.71(16) ?
C41A P2A C51A . . 102.31(15) ?
C61A P2A C51A . . 102.00(16) ?
C41A P2A Ru1A . . 113.46(11) ?
C61A P2A Ru1A . . 109.56(12) ?
C51A P2A Ru1A . . 121.39(12) ?
C1A N1A Ru1A . . 117.6(2) ?
C2A N2A Ru1A . . 118.3(2) ?
N1A C1A C6A . . 126.7(4) ?
N1A C1A C2A . . 113.4(3) ?
C6A C1A C2A . . 119.9(3) ?
N2A C2A C3A . . 127.8(4) ?
N2A C2A C1A . . 112.8(3) ?
C3A C2A C1A . . 119.4(3) ?
C4A C3A C2A . . 118.7(4) ?
C3A C4A C5A . . 122.0(4) ?
C6A C5A C4A . . 121.8(4) ?
C5A C6A C1A . . 118.2(4) ?
C12A C11A C16A . . 118.3(4) ?
C12A C11A P1A . . 117.6(3) ?
C16A C11A P1A . . 124.1(3) ?
C13A C12A C11A . . 120.8(4) ?
C14A C13A C12A . . 120.5(5) ?
C13A C14A C15A . . 120.4(4) ?
C14A C15A C16A . . 119.6(4) ?
C15A C16A C11A . . 120.2(4) ?
C26A C21A C22A . . 117.8(3) ?
C26A C21A P1A . . 120.5(3) ?
C22A C21A P1A . . 121.0(3) ?
C23A C22A C21A . . 120.5(4) ?
C24A C23A C22A . . 120.8(4) ?
C23A C24A C25A . . 119.6(4) ?
C24A C25A C26A . . 119.8(4) ?
C21A C26A C25A . . 121.5(3) ?
C36A C31A C32A . . 119.2(3) ?
C36A C31A P1A . . 121.6(3) ?
C32A C31A P1A . . 119.1(3) ?
C31A C32A C33A . . 120.3(4) ?
C32A C33A C34A . . 120.3(4) ?
C35A C34A C33A . . 119.9(4) ?
C34A C35A C36A . . 119.7(4) ?
C31A C36A C35A . . 120.5(4) ?
C46A C41A C42A . . 118.0(3) ?
C46A C41A P2A . . 120.3(3) ?
C42A C41A P2A . . 121.5(3) ?
C43A C42A C41A . . 120.5(4) ?
C42A C43A C44A . . 120.9(4) ?
C45A C44A C43A . . 119.2(4) ?
C44A C45A C46A . . 119.8(4) ?
C41A C46A C45A . . 121.5(3) ?
C52A C51A C56A . . 119.0(3) ?
C52A C51A P2A . . 119.5(3) ?
C56A C51A P2A . . 121.4(3) ?
C51A C52A C53A . . 120.2(4) ?
C54A C53A C52A . . 119.9(4) ?
C55A C54A C53A . . 120.1(4) ?
C54A C55A C56A . . 120.6(4) ?
C55A C56A C51A . . 120.2(4) ?
C62A C61A C66A . . 118.2(4) ?
C62A C61A P2A . . 116.2(3) ?
C66A C61A P2A . . 125.2(3) ?
C63A C62A C61A . . 121.1(4) ?
C64A C63A C62A . . 120.6(5) ?
C65A C64A C63A . . 119.2(4) ?
C64A C65A C66A . . 121.6(5) ?
C61A C66A C65A . . 119.2(4) ?
N1B Ru1B N1B . 2_755 78.19(16) ?
N1B Ru1B P1B . 2_755 92.76(8) ?
N1B Ru1B P1B 2_755 2_755 91.09(8) ?
N1B Ru1B P1B . . 91.09(8) ?
N1B Ru1B P1B 2_755 . 92.76(8) ?
P1B Ru1B P1B 2_755 . 175.04(4) ?
N1B Ru1B Cl1B . . 92.01(8) ?
N1B Ru1B Cl1B 2_755 . 170.15(8) ?
P1B Ru1B Cl1B 2_755 . 88.39(3) ?
P1B Ru1B Cl1B . . 88.35(3) ?
N1B Ru1B Cl1B . 2_755 170.15(8) ?
N1B Ru1B Cl1B 2_755 2_755 92.01(8) ?
P1B Ru1B Cl1B 2_755 2_755 88.35(3) ?
P1B Ru1B Cl1B . 2_755 88.39(3) ?
Cl1B Ru1B Cl1B . 2_755 97.81(4) ?
C1B N1B Ru1B . . 117.2(2) ?
C21B P1B C11B . . 105.47(17) ?
C21B P1B C31B . . 103.63(15) ?
C11B P1B C31B . . 100.28(16) ?
C21B P1B Ru1B . . 112.07(12) ?
C11B P1B Ru1B . . 114.46(11) ?
C31B P1B Ru1B . . 119.29(11) ?
N1B C1B C6B . . 126.8(3) ?
N1B C1B C1B . 2_755 113.65(19) ?
C6B C1B C1B . 2_755 119.5(2) ?
C6B C5B C5B . 2_755 121.6(2) ?
C5B C6B C1B . . 118.9(3) ?
C12B C11B C16B . . 118.6(4) ?
C12B C11B P1B . . 116.9(3) ?
C16B C11B P1B . . 124.0(3) ?
C13B C12B C11B . . 120.6(4) ?
C12B C13B C14B . . 120.5(4) ?
C15B C14B C13B . . 120.0(4) ?
C14B C15B C16B . . 120.6(4) ?
C15B C16B C11B . . 119.7(4) ?
C26B C21B C22B . . 118.3(3) ?
C26B C21B P1B . . 121.7(3) ?
C22B C21B P1B . . 119.6(3) ?
C23B C22B C21B . . 120.2(4) ?
C24B C23B C22B . . 119.8(4) ?
C25B C24B C23B . . 120.5(4) ?
C24B C25B C26B . . 120.4(4) ?
C21B C26B C25B . . 120.8(4) ?
C36B C31B C32B . . 119.6(3) ?
C36B C31B P1B . . 120.2(3) ?
C32B C31B P1B . . 120.2(3) ?
C33B C32B C31B . . 119.8(4) ?
C32B C33B C34B . . 120.1(4) ?
C35B C34B C33B . . 120.0(4) ?
C34B C35B C36B . . 120.5(4) ?
C31B C36B C35B . . 120.1(4) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1A N2A . 1.974(3) y
Ru1A N1A . 1.979(3) y
Ru1A P2A . 2.3976(9) y
Ru1A P1A . 2.4042(9) y
Ru1A Cl2A . 2.4372(9) y
Ru1A Cl1A . 2.4389(9) y
P1A C21A . 1.811(4) ?
P1A C31A . 1.830(3) ?
P1A C11A . 1.831(4) ?
P2A C41A . 1.826(4) ?
P2A C61A . 1.829(4) ?
P2A C51A . 1.838(3) ?
N1A C1A . 1.322(4) y
N2A C2A . 1.318(4) y
C1A C6A . 1.431(5) y
C1A C2A . 1.445(5) y
C2A C3A . 1.424(5) y
C3A C4A . 1.356(5) y
C4A C5A . 1.422(6) y
C5A C6A . 1.358(5) y
C11A C12A . 1.393(5) ?
C11A C16A . 1.399(5) ?
C12A C13A . 1.369(5) ?
C13A C14A . 1.365(6) ?
C14A C15A . 1.382(7) ?
C15A C16A . 1.389(5) ?
C21A C26A . 1.377(5) ?
C21A C22A . 1.420(5) ?
C22A C23A . 1.381(5) ?
C23A C24A . 1.376(5) ?
C24A C25A . 1.389(5) ?
C25A C26A . 1.396(5) ?
C31A C36A . 1.382(5) ?
C31A C32A . 1.389(5) ?
C32A C33A . 1.389(5) ?
C33A C34A . 1.388(6) ?
C34A C35A . 1.377(6) ?
C35A C36A . 1.405(5) ?
C41A C46A . 1.388(5) ?
C41A C42A . 1.391(4) ?
C42A C43A . 1.385(5) ?
C43A C44A . 1.388(6) ?
C44A C45A . 1.378(5) ?
C45A C46A . 1.392(5) ?
C51A C52A . 1.381(5) ?
C51A C56A . 1.388(5) ?
C52A C53A . 1.399(5) ?
C53A C54A . 1.372(6) ?
C54A C55A . 1.363(6) ?
C55A C56A . 1.386(5) ?
C61A C62A . 1.385(5) ?
C61A C66A . 1.386(5) ?
C62A C63A . 1.380(6) ?
C63A C64A . 1.372(6) ?
C64A C65A . 1.343(7) ?
C65A C66A . 1.413(6) ?
Ru1B N1B . 1.985(3) y
Ru1B N1B 2_755 1.985(3) ?
Ru1B P1B 2_755 2.3996(9) ?
Ru1B P1B . 2.3996(9) y
Ru1B Cl1B . 2.4440(9) y
Ru1B Cl1B 2_755 2.4440(9) ?
N1B C1B . 1.321(4) y
P1B C21B . 1.822(4) ?
P1B C11B . 1.832(4) ?
P1B C31B . 1.847(3) ?
C1B C6B . 1.422(4) y
C1B C1B 2_755 1.444(7) ?
C5B C6B . 1.354(5) y
C5B C5B 2_755 1.427(8) ?
C11B C12B . 1.400(5) ?
C11B C16B . 1.398(5) ?
C12B C13B . 1.377(5) ?
C13B C14B . 1.380(6) ?
C14B C15B . 1.368(6) ?
C15B C16B . 1.400(6) ?
C21B C26B . 1.386(5) ?
C21B C22B . 1.416(5) ?
C22B C23B . 1.397(5) ?
C23B C24B . 1.384(6) ?
C24B C25B . 1.369(5) ?
C25B C26B . 1.396(5) ?
C31B C36B . 1.384(5) ?
C31B C32B . 1.400(5) ?
C32B C33B . 1.388(5) ?
C33B C34B . 1.396(5) ?
C34B C35B . 1.367(5) ?
C35B C36B . 1.396(5) ?
O1S C1S . 1.423(4) ?
O2S C2S . 1.407(5) ?
