#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:34:00 +0100 (vie 25 de mar de 2016) $
#$Revision: 179796 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/92/7009210.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_7009210
loop_
_publ_author_name
'Coe, Benjamin J.'
'Beyer, Tim'
'Jeffery, John C.'
'Coles, Simon J.'
'Gelbrich, Thomas'
'Hursthouse, Michael B.'
'Light, Mark E.'
_publ_section_title
;
 A spectroscopic, electrochemical and structural study of polarizable,
 dipolar ruthenium(II) arsine complexes as models for chromophores with
 large quadratic non-linear optical responses
;
_journal_issue                   5
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              797
_journal_paper_doi               10.1039/a909336b
_journal_year                    2000
_chemical_formula_sum            'C38 H46 As4 Cl F12 N5 O4 P2 Ru'
_chemical_formula_weight         1362.94
_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                108.745(2)
_cell_angle_beta                 95.169(2)
_cell_angle_gamma                90.339(2)
_cell_formula_units_Z            2
_cell_length_a                   12.1453(4)
_cell_length_b                   13.7579(4)
_cell_length_c                   15.7162(5)
_cell_measurement_temperature    150(2)
_cell_volume                     2474.98(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0675
_diffrn_reflns_av_sigmaI/netI    0.0918
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22636
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    3.178
_exptl_absorpt_correction_T_max  0.6471
_exptl_absorpt_correction_T_min  0.5038
_exptl_crystal_colour            brownish
_exptl_crystal_density_diffrn    1.829
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.135
_refine_diff_density_min         -0.871
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.947
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         8695
_refine_ls_number_restraints     39
_refine_ls_restrained_S_all      0.949
_refine_ls_R_factor_all          0.0871
_refine_ls_R_factor_gt           0.0459
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0479P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.1070
_reflns_number_gt                5725
_reflns_number_total             8695
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            a909336b.txt
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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        2474.97(13)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7009210
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 0.26101(4) 0.37821(3) 0.11785(3) 0.01889(13) Uani 1 1 d . . .
As1 As 0.45453(4) 0.35618(4) 0.09326(4) 0.02148(15) Uani 1 1 d . . .
As2 As 0.32379(5) 0.53709(4) 0.23447(4) 0.02246(15) Uani 1 1 d . . .
As3 As 0.19896(5) 0.22897(4) -0.00892(4) 0.02294(15) Uani 1 1 d . . .
As4 As 0.06653(4) 0.40956(4) 0.13076(4) 0.02126(15) Uani 1 1 d . . .
Cl1 Cl 0.25393(11) 0.47848(10) 0.01614(9) 0.0269(3) Uani 1 1 d . . .
O1 O 0.2162(3) -0.2472(3) 0.7739(3) 0.0469(12) Uani 1 1 d . . .
O2 O 0.0897(4) -0.1358(3) 0.8195(3) 0.0441(11) Uani 1 1 d . . .
O3 O 0.4189(3) -0.2434(3) 0.5313(2) 0.0351(10) Uani 1 1 d . . .
O4 O 0.3995(4) -0.1264(3) 0.4684(3) 0.0502(13) Uani 1 1 d . . .
N1 N 0.2664(3) 0.2928(3) 0.2065(3) 0.0201(10) Uani 1 1 d . . .
N2 N 0.2550(4) 0.0174(3) 0.5146(3) 0.0239(11) Uani 1 1 d . . .
N3 N 0.1652(4) -0.1716(4) 0.7720(3) 0.0354(12) Uani 1 1 d . . .
N4 N 0.3768(4) -0.1658(3) 0.5235(3) 0.0290(11) Uani 1 1 d . . .
C1 C 0.5011(5) 0.3556(4) -0.0214(3) 0.0285(14) Uani 1 1 d . . .
H1A H 0.4633 0.2984 -0.0700 0.08(2) Uiso 1 1 calc R . .
H1B H 0.5813 0.3477 -0.0209 0.13(3) Uiso 1 1 calc R . .
H1C H 0.4823 0.4205 -0.0314 0.10(3) Uiso 1 1 calc R . .
C2 C 0.5341(5) 0.2410(4) 0.1102(4) 0.0342(15) Uani 1 1 d . . .
H2A H 0.4981 0.1766 0.0700 0.10(3) Uiso 1 1 calc R . .
H2B H 0.5339 0.2429 0.1730 0.06(2) Uiso 1 1 calc R . .
H2C H 0.6106 0.2452 0.0960 0.07(2) Uiso 1 1 calc R . .
C3 C 0.5392(5) 0.4736(4) 0.1777(3) 0.0247(13) Uani 1 1 d . . .
C4 C 0.4837(4) 0.5518(4) 0.2358(3) 0.0252(13) Uani 1 1 d . . .
C5 C 0.5438(5) 0.6387(4) 0.2936(4) 0.0367(15) Uani 1 1 d . . .
H5 H 0.5065 0.6929 0.3330 0.039(16) Uiso 1 1 calc R . .
C6 C 0.6569(5) 0.6455(5) 0.2933(4) 0.0396(16) Uani 1 1 d . . .
H6 H 0.6975 0.7048 0.3323 0.029(15) Uiso 1 1 calc R . .
C7 C 0.7113(5) 0.5672(4) 0.2371(4) 0.0347(15) Uani 1 1 d . . .
H7 H 0.7895 0.5719 0.2382 0.039(17) Uiso 1 1 calc R . .
C8 C 0.6538(5) 0.4827(4) 0.1795(4) 0.0276(13) Uani 1 1 d . . .
H8 H 0.6923 0.4295 0.1402 0.036(16) Uiso 1 1 calc R . .
C9 C 0.2751(5) 0.6681(4) 0.2268(4) 0.0399(16) Uani 1 1 d . . .
H9A H 0.1943 0.6697 0.2256 0.08(2) Uiso 1 1 calc R . .
H9B H 0.2978 0.6773 0.1715 0.09(3) Uiso 1 1 calc R . .
H9C H 0.3085 0.7235 0.2794 0.07(2) Uiso 1 1 calc R . .
C10 C 0.3059(5) 0.5564(4) 0.3606(3) 0.0365(15) Uani 1 1 d . . .
H10A H 0.2272 0.5506 0.3682 0.06(2) Uiso 1 1 calc R . .
H10B H 0.3358 0.6245 0.3981 0.06(2) Uiso 1 1 calc R . .
H10C H 0.3458 0.5036 0.3792 0.11(3) Uiso 1 1 calc R . .
C11 C 0.2173(6) 0.2296(5) -0.1300(4) 0.0378(16) Uani 1 1 d . . .
H11A H 0.2962 0.2352 -0.1369 0.12(3) Uiso 1 1 calc R . .
H11B H 0.1797 0.2882 -0.1404 0.10(3) Uiso 1 1 calc R . .
H11C H 0.1852 0.1657 -0.1740 0.12(3) Uiso 1 1 calc R . .
C12 C 0.2479(5) 0.0930(4) -0.0148(4) 0.0391(16) Uani 1 1 d . . .
H12A H 0.2426 0.0829 0.0436 0.06(2) Uiso 1 1 calc R . .
H12B H 0.3249 0.0866 -0.0294 0.039(16) Uiso 1 1 calc R . .
H12C H 0.2010 0.0410 -0.0617 0.07(2) Uiso 1 1 calc R . .
C13 C 0.0378(4) 0.2167(4) -0.0152(3) 0.0239(13) Uani 1 1 d . . .
C14 C -0.0185(4) 0.2983(4) 0.0371(3) 0.0226(13) Uani 1 1 d . . .
C15 C -0.1334(5) 0.2955(4) 0.0258(4) 0.0304(14) Uani 1 1 d . . .
H15 H -0.1721 0.3521 0.0606 0.031(15) Uiso 1 1 calc R . .
C16 C -0.1927(5) 0.2118(4) -0.0353(4) 0.0346(15) Uani 1 1 d . . .
H16 H -0.2711 0.2115 -0.0433 0.021(13) Uiso 1 1 calc R . .
C17 C -0.1364(5) 0.1287(5) -0.0845(4) 0.0361(15) Uani 1 1 d . . .
H17 H -0.1762 0.0699 -0.1250 0.051(19) Uiso 1 1 calc R . .
C18 C -0.0223(5) 0.1312(4) -0.0748(4) 0.0364(15) Uani 1 1 d . . .
H18 H 0.0159 0.0740 -0.1091 0.035(16) Uiso 1 1 calc R . .
C19 C 0.0078(4) 0.5364(4) 0.1198(3) 0.0261(13) Uani 1 1 d . . .
H19A H -0.0521 0.5204 0.0707 0.09(2) Uiso 0.35(6) 1 calc PR . .
H19B H 0.0667 0.5768 0.1066 0.09(2) Uiso 0.35(6) 1 calc PR . .
H19C H -0.0210 0.5760 0.1765 0.09(2) Uiso 0.35(6) 1 calc PR . .
H19D H 0.0479 0.5951 0.1652 0.09(2) Uiso 0.65 1 calc PR . .
H19E H -0.0710 0.5387 0.1293 0.09(2) Uiso 0.65 1 calc PR . .
H19F H 0.0168 0.5395 0.0593 0.09(2) Uiso 0.65 1 calc PR . .
C20 C -0.0018(5) 0.4076(5) 0.2374(4) 0.0341(15) Uani 1 1 d . . .
H20A H 0.0335 0.4612 0.2905 0.13(4) Uiso 1 1 calc R . .
H20B H 0.0075 0.3404 0.2456 0.038(16) Uiso 1 1 calc R . .
H20C H -0.0808 0.4203 0.2298 0.050(18) Uiso 1 1 calc R . .
C21 C 0.3507(5) 0.3038(4) 0.2721(3) 0.0236(13) Uani 1 1 d . . .
H21 H 0.4109 0.3498 0.2756 0.023(14) Uiso 1 1 calc R . .
C22 C 0.3532(4) 0.2517(4) 0.3337(3) 0.0238(13) Uani 1 1 d . . .
H22 H 0.4132 0.2639 0.3794 0.034(16) Uiso 1 1 calc R . .
C23 C 0.2687(5) 0.1816(4) 0.3296(3) 0.0252(13) Uani 1 1 d . . .
C24 C 0.1821(5) 0.1702(4) 0.2631(3) 0.0258(13) Uani 1 1 d . . .
H24 H 0.1210 0.1250 0.2589 0.031 Uiso 1 1 calc R . .
C25 C 0.1843(4) 0.2243(4) 0.2028(4) 0.0249(13) Uani 1 1 d . . .
H25 H 0.1251 0.2128 0.1565 0.020(13) Uiso 1 1 calc R . .
C26 C 0.2677(5) 0.1222(4) 0.3935(3) 0.0260(14) Uani 1 1 d . . .
C27 C 0.3319(5) 0.1539(4) 0.4768(4) 0.0279(14) Uani 1 1 d . . .
H27 H 0.3809 0.2125 0.4925 0.026(15) Uiso 1 1 calc R . .
C28 C 0.3236(5) 0.0999(4) 0.5353(4) 0.0283(14) Uani 1 1 d . . .
H28 H 0.3673 0.1213 0.5918 0.046(17) Uiso 1 1 calc R . .
C29 C 0.1958(5) -0.0177(4) 0.4334(4) 0.0345(15) Uani 1 1 d . . .
H29 H 0.1498 -0.0780 0.4185 0.031(15) Uiso 1 1 calc R . .
C30 C 0.2020(5) 0.0331(4) 0.3726(4) 0.0335(15) Uani 1 1 d . . .
H30 H 0.1609 0.0074 0.3151 0.014(12) Uiso 1 1 calc R . .
C31 C 0.2372(5) -0.0327(4) 0.5805(3) 0.0267(13) Uani 1 1 d . . .
C32 C 0.1607(5) 0.0095(4) 0.6398(4) 0.0307(14) Uani 1 1 d . . .
H32 H 0.1240 0.0696 0.6376 0.015(12) Uiso 1 1 calc R . .
C33 C 0.1377(5) -0.0363(4) 0.7023(4) 0.0305(14) Uani 1 1 d . . .
H33 H 0.0845 -0.0081 0.7434 0.022(14) Uiso 1 1 calc R . .
C34 C 0.1909(5) -0.1220(4) 0.7057(4) 0.0282(14) Uani 1 1 d . . .
C35 C 0.2709(5) -0.1637(4) 0.6484(3) 0.0251(13) Uani 1 1 d . . .
H35 H 0.3094 -0.2221 0.6527 0.023(13) Uiso 1 1 calc R . .
C36 C 0.2933(4) -0.1188(4) 0.5856(3) 0.0248(13) Uani 1 1 d . . .
P1 P 1.00412(14) 0.26085(13) 0.55470(12) 0.0437(5) Uani 1 1 d . . .
F1 F 1.0143(4) 0.1404(3) 0.5222(3) 0.0819(14) Uani 1 1 d . . .
F2 F 1.1296(4) 0.2759(4) 0.5455(4) 0.130(2) Uani 1 1 d . . .
F3 F 1.0280(7) 0.2646(7) 0.6535(3) 0.193(4) Uani 1 1 d . . .
F4 F 0.9924(4) 0.3792(3) 0.5867(5) 0.148(3) Uani 1 1 d . . .
F5 F 0.9786(5) 0.2537(4) 0.4538(3) 0.1107(18) Uani 1 1 d . . .
F6 F 0.8762(3) 0.2461(3) 0.5600(3) 0.0775(13) Uani 1 1 d . . .
P2 P 0.51684(13) 0.03848(11) 0.77634(10) 0.0375(4) Uani 1 1 d GD . .
F7 F 0.4025(5) -0.0048(8) 0.7959(5) 0.105(7) Uani 0.520(17) 1 d PGD . .
F8 F 0.5061(6) -0.0424(5) 0.6773(2) 0.063(4) Uani 0.520(17) 1 d PGD . .
F9 F 0.5276(6) 0.1192(5) 0.8768(2) 0.060(4) Uani 0.520(17) 1 d PGD . .
F10 F 0.4485(9) 0.1179(7) 0.7399(5) 0.121(7) Uani 0.520(17) 1 d PGD . .
F11 F 0.5829(10) -0.0410(7) 0.8142(5) 0.092(5) Uani 0.520(17) 1 d PGD . .
F12 F 0.6292(6) 0.0838(8) 0.7577(5) 0.081(4) Uani 0.520(17) 1 d PGD . .
F7' F 0.5213(7) -0.0150(10) 0.6694(3) 0.087(5) Uani 0.480(17) 1 d PGD . .
F8' F 0.6373(6) 0.0019(9) 0.7950(7) 0.116(8) Uani 0.480(17) 1 d PGD . .
F9' F 0.3941(6) 0.0744(8) 0.7556(6) 0.068(5) Uani 0.480(17) 1 d PGD . .
F10' F 0.5683(12) 0.1409(8) 0.7662(8) 0.142(8) Uani 0.480(17) 1 d PGD . .
F11' F 0.4635(12) -0.0644(7) 0.7826(8) 0.100(6) Uani 0.480(17) 1 d PGD . .
F12' F 0.5110(7) 0.0939(9) 0.8806(2) 0.062(4) Uani 0.480(17) 1 d PGD . .
N5 N 0.5865(6) 0.4150(6) 0.3808(5) 0.086(2) Uani 1 1 d . . .
C37 C 0.6730(7) 0.4462(5) 0.4044(5) 0.0510(19) Uani 1 1 d D . .
C38 C 0.7891(8) 0.4758(8) 0.4318(6) 0.083(3) Uani 1 1 d D . .
H38A H 0.805(4) 0.5470(18) 0.470(3) 0.16(5) Uiso 1 1 d D . .
H38B H 0.836(3) 0.469(4) 0.383(2) 0.08(3) Uiso 1 1 d D . .
H38C H 0.829(4) 0.437(4) 0.467(3) 0.15(4) Uiso 1 1 d 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'
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'
As As 0.0499 2.0058 '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'
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
N1 Ru1 As3 91.63(12) . . ?
N1 Ru1 As4 92.44(11) . . ?
As3 Ru1 As4 85.45(2) . . ?
N1 Ru1 Cl1 179.45(11) . . ?
As3 Ru1 Cl1 88.76(4) . . ?
As4 Ru1 Cl1 87.19(3) . . ?
N1 Ru1 As1 93.59(11) . . ?
As3 Ru1 As1 93.97(2) . . ?
As4 Ru1 As1 173.96(2) . . ?
Cl1 Ru1 As1 86.78(4) . . ?
N1 Ru1 As2 94.01(12) . . ?
As3 Ru1 As2 174.35(2) . . ?
As4 Ru1 As2 94.68(2) . . ?
Cl1 Ru1 As2 85.60(4) . . ?
As1 Ru1 As2 85.30(2) . . ?
C1 As1 C2 100.6(2) . . ?
C1 As1 C3 102.1(2) . . ?
C2 As1 C3 102.5(2) . . ?
C1 As1 Ru1 118.76(18) . . ?
C2 As1 Ru1 121.88(19) . . ?
C3 As1 Ru1 108.30(16) . . ?
C9 As2 C10 100.2(3) . . ?
C9 As2 C4 102.1(2) . . ?
C10 As2 C4 102.3(2) . . ?
C9 As2 Ru1 120.69(19) . . ?
C10 As2 Ru1 120.59(18) . . ?
C4 As2 Ru1 108.23(16) . . ?
C11 As3 C12 101.4(3) . . ?
C11 As3 C13 100.4(2) . . ?
C12 As3 C13 104.3(2) . . ?
C11 As3 Ru1 119.0(2) . . ?
C12 As3 Ru1 121.02(19) . . ?
C13 As3 Ru1 108.04(16) . . ?
C19 As4 C20 98.9(2) . . ?
C19 As4 C14 106.0(2) . . ?
C20 As4 C14 100.9(2) . . ?
C19 As4 Ru1 119.55(17) . . ?
C20 As4 Ru1 121.15(17) . . ?
C14 As4 Ru1 108.10(15) . . ?
C25 N1 C21 116.0(4) . . ?
C25 N1 Ru1 121.6(3) . . ?
C21 N1 Ru1 122.4(4) . . ?
C28 N2 C29 120.8(4) . . ?
C28 N2 C31 121.0(5) . . ?
C29 N2 C31 118.1(5) . . ?
O1 N3 O2 124.7(4) . . ?
O1 N3 C34 118.1(5) . . ?
O2 N3 C34 117.2(4) . . ?
O4 N4 O3 123.9(4) . . ?
O4 N4 C36 119.0(4) . . ?
O3 N4 C36 117.1(4) . . ?
As1 C1 H1A 109.5 . . ?
As1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
As1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
As1 C2 H2A 109.5 . . ?
As1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
As1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 C8 119.2(5) . . ?
C4 C3 As1 119.2(4) . . ?
C8 C3 As1 121.6(4) . . ?
C3 C4 C5 119.4(5) . . ?
C3 C4 As2 118.9(4) . . ?
C5 C4 As2 121.7(4) . . ?
C6 C5 C4 120.0(5) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C7 C6 C5 120.3(6) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C8 C7 C6 120.4(6) . . ?
C8 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
C7 C8 C3 120.8(5) . . ?
C7 C8 H8 119.6 . . ?
C3 C8 H8 119.6 . . ?
As2 C9 H9A 109.5 . . ?
As2 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
As2 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
As2 C10 H10A 109.5 . . ?
As2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
As2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
As3 C11 H11A 109.5 . . ?
As3 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
As3 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
As3 C12 H12A 109.5 . . ?
As3 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
As3 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C18 119.2(5) . . ?
C14 C13 As3 118.7(4) . . ?
C18 C13 As3 122.0(4) . . ?
C13 C14 C15 119.2(5) . . ?
C13 C14 As4 118.6(4) . . ?
C15 C14 As4 122.0(4) . . ?
C16 C15 C14 121.2(5) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C17 C16 C15 119.3(6) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C18 C17 C16 120.0(6) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C13 120.9(5) . . ?
C17 C18 H18 119.5 . . ?
C13 C18 H18 119.5 . . ?
As4 C19 H19A 109.5 . . ?
As4 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
As4 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
As4 C19 H19D 109.5 . . ?
H19A C19 H19D 141.1 . . ?
H19B C19 H19D 56.3 . . ?
H19C C19 H19D 56.3 . . ?
As4 C19 H19E 109.5 . . ?
H19A C19 H19E 56.3 . . ?
H19B C19 H19E 141.1 . . ?
H19C C19 H19E 56.3 . . ?
H19D C19 H19E 109.5 . . ?
As4 C19 H19F 109.5 . . ?
H19A C19 H19F 56.3 . . ?
H19B C19 H19F 56.3 . . ?
H19C C19 H19F 141.1 . . ?
H19D C19 H19F 109.5 . . ?
H19E C19 H19F 109.5 . . ?
As4 C20 H20A 109.5 . . ?
As4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
As4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N1 C21 C22 123.2(5) . . ?
N1 C21 H21 118.4 . . ?
C22 C21 H21 118.4 . . ?
C21 C22 C23 120.5(5) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C24 C23 C22 116.6(5) . . ?
C24 C23 C26 120.5(5) . . ?
C22 C23 C26 122.9(5) . . ?
C25 C24 C23 120.3(5) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
N1 C25 C24 123.3(5) . . ?
N1 C25 H25 118.3 . . ?
C24 C25 H25 118.3 . . ?
C30 C26 C27 117.6(5) . . ?
C30 C26 C23 120.9(5) . . ?
C27 C26 C23 121.5(5) . . ?
C28 C27 C26 119.3(5) . . ?
C28 C27 H27 120.3 . . ?
C26 C27 H27 120.3 . . ?
N2 C28 C27 121.3(5) . . ?
N2 C28 H28 119.4 . . ?
C27 C28 H28 119.4 . . ?
N2 C29 C30 120.0(5) . . ?
N2 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 C26 120.9(6) . . ?
C29 C30 H30 119.6 . . ?
C26 C30 H30 119.6 . . ?
C32 C31 C36 120.5(5) . . ?
C32 C31 N2 116.3(4) . . ?
C36 C31 N2 123.3(5) . . ?
C33 C32 C31 119.1(5) . . ?
C33 C32 H32 120.5 . . ?
C31 C32 H32 120.5 . . ?
C34 C33 C32 120.3(5) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C33 C34 C35 121.4(5) . . ?
C33 C34 N3 120.2(5) . . ?
C35 C34 N3 118.4(4) . . ?
C36 C35 C34 118.4(5) . . ?
C36 C35 H35 120.8 . . ?
C34 C35 H35 120.8 . . ?
C35 C36 C31 120.3(5) . . ?
C35 C36 N4 117.8(4) . . ?
C31 C36 N4 122.0(4) . . ?
F3 P1 F4 89.8(4) . . ?
F3 P1 F5 178.3(4) . . ?
F4 P1 F5 91.7(4) . . ?
F3 P1 F2 92.0(4) . . ?
F4 P1 F2 89.9(3) . . ?
F5 P1 F2 88.8(3) . . ?
F3 P1 F1 90.2(4) . . ?
F4 P1 F1 179.2(3) . . ?
F5 P1 F1 88.3(3) . . ?
F2 P1 F1 90.9(3) . . ?
F3 P1 F6 90.4(4) . . ?
F4 P1 F6 89.8(2) . . ?
F5 P1 F6 88.9(3) . . ?
F2 P1 F6 177.7(3) . . ?
F1 P1 F6 89.4(2) . . ?
F12' P2 F8' 90.81(19) . . ?
F12' P2 F12 103.1(5) . . ?
F8' P2 F12 53.6(3) . . ?
F12' P2 F11' 91.2(2) . . ?
F8' P2 F11' 90.9(2) . . ?
F12 P2 F11' 141.2(3) . . ?
F12' P2 F8 164.2(5) . . ?
F8' P2 F8 90.4(5) . . ?
F12 P2 F8 90.2 . . ?
F11' P2 F8 73.0(6) . . ?
F12' P2 F11 80.9(5) . . ?
F8' P2 F11 37.1(3) . . ?
F12 P2 F11 90.7 . . ?
F11' P2 F11 55.8(3) . . ?
F8 P2 F11 90.6 . . ?
F12' P2 F10 98.2(5) . . ?
F8' P2 F10 144.1(3) . . ?
F12 P2 F10 90.5 . . ?
F11' P2 F10 123.3(3) . . ?
F8 P2 F10 90.1 . . ?
F11 P2 F10 178.7 . . ?
F12' P2 F10' 90.69(18) . . ?
F8' P2 F10' 90.1(2) . . ?
F12 P2 F10' 39.2(3) . . ?
F11' P2 F10' 177.8(3) . . ?
F8 P2 F10' 105.1(6) . . ?
F11 P2 F10' 125.7(4) . . ?
F10 P2 F10' 55.2(4) . . ?
F12' P2 F7 76.3(5) . . ?
F8' P2 F7 127.4(3) . . ?
F12 P2 F7 178.8 . . ?
F11' P2 F7 40.0(3) . . ?
F8 P2 F7 90.5 . . ?
F11 P2 F7 90.3 . . ?
F10 P2 F7 88.5 . . ?
F10' P2 F7 139.7(3) . . ?
F12' P2 F9 15.3(5) . . ?
F8' P2 F9 89.4(5) . . ?
F12 P2 F9 90.1 . . ?
F11' P2 F9 106.4(6) . . ?
F8 P2 F9 179.4 . . ?
F11 P2 F9 89.0 . . ?
F10 P2 F9 90.4 . . ?
F10' P2 F9 75.4(6) . . ?
F7 P2 F9 89.2 . . ?
F12' P2 F7' 178.3(3) . . ?
F8' P2 F7' 90.42(18) . . ?
F12 P2 F7' 76.6(5) . . ?
F11' P2 F7' 90.05(18) . . ?
F8 P2 F7' 17.0(6) . . ?
F11 P2 F7' 100.8(6) . . ?
F10 P2 F7' 80.1(6) . . ?
F10' P2 F7' 88.1(2) . . ?
F7 P2 F7' 103.9(5) . . ?
F9 P2 F7' 163.5(6) . . ?
F12' P2 F9' 90.17(18) . . ?
F8' P2 F9' 179.0(3) . . ?
F12 P2 F9' 126.3(3) . . ?
F11' P2 F9' 88.8(2) . . ?
F8 P2 F9' 88.6(4) . . ?
F11 P2 F9' 142.9(3) . . ?
F10 P2 F9' 35.9(3) . . ?
F10' P2 F9' 90.04(19) . . ?
F7 P2 F9' 52.7(3) . . ?
F9 P2 F9' 91.6(4) . . ?
F7' P2 F9' 88.61(18) . . ?
F11' F7 F9' 125.2(6) . . ?
F11' F7 P2 69.4(3) . . ?
F9' F7 P2 64.0(2) . . ?
F9' F10 F10' 132.9(5) . . ?
F9' F10 P2 73.1(2) . . ?
F10' F10 P2 62.5(2) . . ?
F8' F11 F11' 128.6(7) . . ?
F8' F11 P2 70.9(3) . . ?
F11' F11 P2 62.0(2) . . ?
F10' F12 F8' 128.3(6) . . ?
F10' F12 P2 71.0(2) . . ?
F8' F12 P2 63.1(2) . . ?
F11 F8' F12 135.3(3) . . ?
F11 F8' P2 72.0(2) . . ?
F12 F8' P2 63.4(2) . . ?
F10 F9' F7 134.2(3) . . ?
F10 F9' P2 71.1(3) . . ?
F7 F9' P2 63.25(18) . . ?
F12 F10' F10 124.2(7) . . ?
F12 F10' P2 69.9(3) . . ?
F10 F10' P2 62.2(2) . . ?
F7 F11' F11 122.0(7) . . ?
F7 F11' P2 70.6(2) . . ?
F11 F11' P2 62.3(2) . . ?
N5 C37 C38 174.0(9) . . ?
C37 C38 H38A 116(3) . . ?
C37 C38 H38B 116(3) . . ?
H38A C38 H38B 103(4) . . ?
C37 C38 H38C 116(3) . . ?
H38A C38 H38C 102(4) . . ?
H38B C38 H38C 102(4) . . ?
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 N1 2.089(4) . ?
Ru1 As3 2.4155(7) . ?
Ru1 As4 2.4184(7) . ?
Ru1 Cl1 2.4207(12) . ?
Ru1 As1 2.4213(7) . ?
Ru1 As2 2.4233(7) . ?
As1 C1 1.935(5) . ?
As1 C2 1.939(5) . ?
As1 C3 1.945(6) . ?
As2 C9 1.937(5) . ?
As2 C10 1.947(5) . ?
As2 C4 1.949(5) . ?
As3 C11 1.939(5) . ?
As3 C12 1.942(5) . ?
As3 C13 1.955(5) . ?
As4 C19 1.942(4) . ?
As4 C20 1.943(5) . ?
As4 C14 1.958(6) . ?
O1 N3 1.221(5) . ?
O2 N3 1.237(6) . ?
O3 N4 1.223(5) . ?
O4 N4 1.210(5) . ?
N1 C25 1.352(7) . ?
N1 C21 1.357(6) . ?
N2 C28 1.338(7) . ?
N2 C29 1.347(7) . ?
N2 C31 1.447(6) . ?
N3 C34 1.471(7) . ?
N4 C36 1.476(7) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.390(7) . ?
C3 C8 1.394(7) . ?
C4 C5 1.400(8) . ?
C5 C6 1.378(8) . ?
C5 H5 0.9500 . ?
C6 C7 1.371(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.363(8) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.386(7) . ?
C13 C18 1.397(8) . ?
C14 C15 1.390(7) . ?
C15 C16 1.387(8) . ?
C15 H15 0.9500 . ?
C16 C17 1.381(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.378(8) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C19 H19D 0.9800 . ?
C19 H19E 0.9800 . ?
C19 H19F 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.377(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.387(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.385(7) . ?
C23 C26 1.485(7) . ?
C24 C25 1.382(7) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C30 1.389(8) . ?
C26 C27 1.399(7) . ?
C27 C28 1.366(7) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.359(7) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.373(7) . ?
C31 C36 1.390(6) . ?
C32 C33 1.373(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.361(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.384(7) . ?
C35 C36 1.367(7) . ?
C35 H35 0.9500 . ?
P1 F3 1.538(5) . ?
P1 F4 1.553(4) . ?
P1 F5 1.559(5) . ?
P1 F2 1.562(5) . ?
P1 F1 1.579(4) . ?
P1 F6 1.579(4) . ?
P2 F12' 1.578(4) . ?
P2 F8' 1.583(4) . ?
P2 F12 1.5867 . ?
P2 F11' 1.589(4) . ?
P2 F8 1.5895 . ?
P2 F11 1.5926 . ?
P2 F10 1.5931 . ?
P2 F10' 1.597(4) . ?
P2 F7 1.6005 . ?
P2 F9 1.6046 . ?
P2 F7' 1.610(4) . ?
P2 F9' 1.611(4) . ?
F7 F11' 1.091(8) . ?
F7 F9' 1.426(7) . ?
F10 F9' 0.987(8) . ?
F10 F10' 1.479(9) . ?
F11 F8' 1.011(9) . ?
F11 F11' 1.487(9) . ?
F12 F10' 1.067(9) . ?
F12 F8' 1.428(9) . ?
N5 C37 1.117(9) . ?
C37 C38 1.453(12) . ?
C38 H38A 0.980(8) . ?
C38 H38B 0.979(8) . ?
C38 H38C 0.982(8) . ?
