##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
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data_global
_audit_creation_method     'form.cif (version 2.0)'
_journal_data_validation_number     ?
_journal_date_recd_electronic     2009-11-30
_journal_date_accepted     2009-12-14
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue      1
_journal_page_first     m90
_journal_page_last     m91
_journal_paper_category     QM
_journal_coeditor_code     SJ2702
_publ_contact_author_name     'Omar bin Shawkataly'
_publ_contact_author_address
;
      Chemical Sciences Programme
      School of Distance Education
      Universiti Sains Malaysia
      11800 USM, Penang
      Malaysia
;
_publ_contact_author_email     'omarsa@usm.my'
_publ_contact_author_fax     '+60-4-657-6000'
_publ_contact_author_phone     '+60-4-653-3936'
_publ_section_title
;\
Bis{[μ-bis(diphenylarsino)methane-1:2κ²As:As']nonacarbonyl-\
1κ³C,2κ³C,3κ³C-[tris(4-chlorophenyl)phosphine-\
3κP]-triangulo-triruthenium(0)} chloroform monosolvate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Omar bin Shawkataly'
;
      On secondment to: Multimedia University, Melaka Campus,
      Jalan Ayer Keroh Lama, 74750 Melaka, Malaysia.
;
;
      Chemical Sciences Programme
      School of Distance Education
      Universiti Sains Malaysia
      11800 USM, Penang
      Malaysia
;
    'Imthyaz Ahmed Khan' ?
;
      Chemical Sciences Programme
      School of Distance Education
      Universiti Sains Malaysia
      11800 USM, Penang
      Malaysia
;
    'Chin Sing Yeap'
;
      Thomson Reuters ResearcherID: A-5523-2009.
;
;
      X-ray Crystallography Unit
      School of Physics
      Universiti Sains Malaysia
      11800 USM, Penang
      Malaysia
;
    'Hoong-Kun Fun'
;
      Thomson Reuters ResearcherID: A-3561-2009.
      Additional correspondence author, e-mail: hkfun@usm.my.
;
;     X-ray Crystallography Unit
      School of Physics
      Universiti Sains Malaysia
      11800 USM, Penang
      Malaysia
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Bis{[μ-bis(diphenylarsino)methane-1:2κ²As:As']nonacarbonyl-\
1κ³C,2κ³C,3κ³C-[tris(4-\
chlorophenyl)phosphine-3κP]-triangulo-triruthenium(0)}
chloroform monosolvate
;
_chemical_name_common     ?
_chemical_formula_moiety     '2(C52 H34 As2 Cl3 O9 P1 Ru3), C H Cl3'
_chemical_formula_sum     'C105 H69 As4 Cl9 O18 P2 Ru6'
_chemical_formula_iupac     '2[Ru3 (C25 H22 As2)(C18 H12 Cl3 P)(C O)9], C H Cl3'
_chemical_formula_weight     2905.69
_chemical_melting_point     ?
_symmetry_cell_setting     Orthorhombic
_symmetry_space_group_name_H-M     'P c a 21'
_symmetry_space_group_name_Hall     'P 2c -2ac'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, z+1/2'
    'x+1/2, -y, z'
    '-x+1/2, y, z+1/2'
_cell_length_a     15.4916(6)
_cell_length_b     32.0500(11)
_cell_length_c     21.1332(8)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     10492.8(7)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     9880
_cell_measurement_theta_min     2.42
_cell_measurement_theta_max     28.91
_cell_measurement_temperature     100.00(10)
_exptl_crystal_description     'block'
_exptl_crystal_colour     'red'
_exptl_crystal_size_max     0.19
_exptl_crystal_size_mid     0.19
_exptl_crystal_size_min     0.10
_exptl_crystal_density_diffrn     1.839
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     5688
_exptl_absorpt_coefficient_mu     2.420
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2005)'
_exptl_absorpt_correction_T_min     0.6537
_exptl_absorpt_correction_T_max     0.7904
_exptl_special_details
;
The crystal was placed in the cold stream of an Oxford Cyrosystems Cobra
open-flow nitrogen cryostat (Cosier & Glazer, 1986) operating at 100.0 (1) K.
;
_diffrn_ambient_temperature     100
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type
;
Bruker SMART APEXII CCD area-detector diffractometer
;
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     73964
_diffrn_reflns_av_R_equivalents     0.0523
_diffrn_reflns_av_sigmaI/netI     0.0637
_diffrn_reflns_theta_min     1.75
_diffrn_reflns_theta_max     30.07
_diffrn_reflns_theta_full     30.07
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -21
_diffrn_reflns_limit_h_max     21
_diffrn_reflns_limit_k_min     -43
_diffrn_reflns_limit_k_max     45
_diffrn_reflns_limit_l_min     -25
_diffrn_reflns_limit_l_max     29
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     27898
_reflns_number_gt     22534
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0630
_refine_ls_R_factor_gt     0.0428
_refine_ls_wR_factor_gt     0.0840
_refine_ls_wR_factor_ref     0.0916
_refine_ls_goodness_of_fit_ref     1.027
_refine_ls_restrained_S_all     1.027
_refine_ls_number_reflns     27898
_refine_ls_number_parameters     1298
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0400P)²+3.8533P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.235
_refine_diff_density_min     -0.769
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
_refine_ls_abs_structure_details     'Flack (1983), 12139 Friedel pairs'
_refine_ls_abs_structure_Flack     0.480(7)
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'
    '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'
    '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'
_computing_data_collection     'APEX2 (Bruker, 2005)'
_computing_cell_refinement     'SAINT (Bruker, 2005)'
_computing_data_reduction     'SAINT (Bruker, 2005)'
_computing_structure_solution     'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)
;
loop_
    _atom_site_type_symbol
    _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
    Ru Ru1A 0.71961(3) 0.902795(13) 0.74015(2) 0.01573(9) Uani d . 1 . .
    Ru Ru2A 0.76030(3) 0.889859(13) 0.87170(2) 0.01597(9) Uani d . 1 . .
    Ru Ru3A 0.66115(3) 0.829574(13) 0.80543(2) 0.01663(9) Uani d . 1 . .
    As As1A 0.79716(3) 0.968408(16) 0.73567(3) 0.01486(11) Uani d . 1 . .
    As As2A 0.86050(3) 0.947998(17) 0.87988(3) 0.01465(11) Uani d . 1 . .
    Cl Cl1A 0.43461(12) 0.65412(5) 0.93450(8) 0.0421(4) Uani d . 1 . .
    Cl Cl2A 0.25032(11) 0.84215(5) 0.58560(9) 0.0397(4) Uani d . 1 . .
    Cl Cl3A 0.79590(12) 0.69040(5) 0.52357(8) 0.0402(4) Uani d . 1 . .
    P P1A 0.58346(9) 0.78529(4) 0.73821(7) 0.0184(3) Uani d . 1 . .
    O O1A 0.5473(3) 0.94607(14) 0.7690(2) 0.0298(10) Uani d . 1 . .
    O O2A 0.6491(3) 0.88986(16) 0.6077(2) 0.0400(12) Uani d . 1 . .
    O O3A 0.8980(3) 0.86474(16) 0.7167(3) 0.0479(14) Uani d . 1 . .
    O O4A 0.9222(3) 0.83606(14) 0.8517(2) 0.0382(12) Uani d . 1 . .
    O O5A 0.7450(4) 0.85500(17) 1.0054(2) 0.0487(14) Uani d . 1 . .
    O O6A 0.6039(3) 0.94517(15) 0.9014(2) 0.0343(11) Uani d . 1 . .
    O O7A 0.4926(3) 0.87316(13) 0.8457(2) 0.0269(9) Uani d . 1 . .
    O O8A 0.6578(3) 0.77439(13) 0.9213(2) 0.0321(10) Uani d . 1 . .
    O O9A 0.8254(3) 0.78334(13) 0.7642(2) 0.0339(10) Uani d . 1 . .
    C C1A 0.8675(4) 0.98065(18) 0.6608(3) 0.0190(12) Uani d . 1 . .
    C C2A 0.9114(4) 1.01815(18) 0.6577(3) 0.0210(12) Uani d . 1 . .
    H H2AA 0.9063 1.0376 0.6901 0.025 Uiso calc R 1 . .
    C C3A 0.9635(4) 1.0265(2) 0.6054(3) 0.0269(14) Uani d . 1 . .
    H H3AA 0.9933 1.0517 0.6031 0.032 Uiso calc R 1 . .
    C C4A 0.9709(4) 0.99839(19) 0.5582(3) 0.0286(14) Uani d . 1 . .
    H H4AA 1.0049 1.0046 0.5232 0.034 Uiso calc R 1 . .
    C C5A 0.9286(4) 0.96040(19) 0.5614(3) 0.0254(13) Uani d . 1 . .
    H H5AA 0.9353 0.9409 0.5291 0.030 Uiso calc R 1 . .
    C C6A 0.8760(4) 0.95147(19) 0.6130(3) 0.0223(12) Uani d . 1 . .
    H H6AA 0.8468 0.9261 0.6153 0.027 Uiso calc R 1 . .
    C C7A 0.7301(3) 1.01969(17) 0.7408(3) 0.0180(11) Uani d . 1 . .
    C C8A 0.7528(4) 1.05358(18) 0.7793(3) 0.0270(13) Uani d . 1 . .
    H H8AA 0.8005 1.0520 0.8059 0.032 Uiso calc R 1 . .
    C C9A 0.7030(5) 1.0894(2) 0.7769(3) 0.0368(17) Uani d . 1 . .
    H H9AA 0.7182 1.1120 0.8020 0.044 Uiso calc R 1 . .
    C C10A 0.6322(5) 1.0923(2) 0.7386(4) 0.0391(17) Uani d . 1 . .
    H H10A 0.5999 1.1167 0.7378 0.047 Uiso calc R 1 . .
    C C11A 0.6084(4) 1.05847(19) 0.7008(3) 0.0285(14) Uani d . 1 . .
    H H11A 0.5601 1.0601 0.6748 0.034 Uiso calc R 1 . .
    C C12A 0.6583(4) 1.02217(19) 0.7026(3) 0.0241(13) Uani d . 1 . .
    H H12A 0.6428 0.9994 0.6777 0.029 Uiso calc R 1 . .
    C C13A 0.8905(4) 0.97306(17) 0.7977(3) 0.0189(11) Uani d . 1 . .
    H H13A 0.9042 1.0023 0.8039 0.023 Uiso calc R 1 . .
    H H13B 0.9416 0.9594 0.7811 0.023 Uiso calc R 1 . .
    C C14A 0.8387(4) 0.99512(17) 0.9355(3) 0.0194(12) Uani d . 1 . .
    C C15A 0.7887(4) 0.98787(18) 0.9887(3) 0.0218(12) Uani d . 1 . .
    H H15A 0.7599 0.9626 0.9936 0.026 Uiso calc R 1 . .
    C C16A 0.7821(4) 1.0185(2) 1.0343(3) 0.0294(14) Uani d . 1 . .
    H H16A 0.7489 1.0137 1.0702 0.035 Uiso calc R 1 . .
    C C17A 0.8239(4) 1.0565(2) 1.0274(3) 0.0292(14) Uani d . 1 . .
    H H17A 0.8196 1.0768 1.0586 0.035 Uiso calc R 1 . .
    C C18A 0.8718(4) 1.06361(19) 0.9739(3) 0.0266(14) Uani d . 1 . .
    H H18A 0.8990 1.0892 0.9686 0.032 Uiso calc R 1 . .
    C C19A 0.8803(4) 1.03319(18) 0.9274(3) 0.0223(12) Uani d . 1 . .
    H H19A 0.9134 1.0382 0.8914 0.027 Uiso calc R 1 . .
    C C20A 0.9736(3) 0.93291(17) 0.9125(3) 0.0187(11) Uani d . 1 . .
    C C21A 0.9755(4) 0.90174(17) 0.9605(3) 0.0247(13) Uani d . 1 . .
    H H21A 0.9247 0.8894 0.9746 0.030 Uiso calc R 1 . .
    C C22A 1.0539(4) 0.8904(2) 0.9856(3) 0.0358(16) Uani d . 1 . .
    H H22A 1.0553 0.8701 1.0170 0.043 Uiso calc R 1 . .
    C C23A 1.1295(4) 0.9077(2) 0.9661(3) 0.0361(16) Uani d . 1 . .
    H H23A 1.1818 0.8987 0.9829 0.043 Uiso calc R 1 . .
    C C24A 1.1274(4) 0.9389(2) 0.9212(4) 0.0417(19) Uani d . 1 . .
    H H24A 1.1785 0.9518 0.9090 0.050 Uiso calc R 1 . .
    C C25A 1.0485(4) 0.9515(2) 0.8937(3) 0.0284(14) Uani d . 1 . .
    H H25A 1.0476 0.9723 0.8630 0.034 Uiso calc R 1 . .
    C C26A 0.5353(4) 0.74395(16) 0.7869(2) 0.0194(11) Uani d . 1 . .
    C C27A 0.5848(4) 0.71001(17) 0.8077(3) 0.0274(13) Uani d . 1 . .
    H H27A 0.6397 0.7061 0.7909 0.033 Uiso calc R 1 . .
    C C28A 0.5546(4) 0.68241(18) 0.8520(3) 0.0285(13) Uani d . 1 . .
    H H28A 0.5880 0.6598 0.8645 0.034 Uiso calc R 1 . .
    C C29A 0.4731(4) 0.68876(18) 0.8778(3) 0.0257(12) Uani d . 1 . .
    C C30A 0.4237(4) 0.72151(19) 0.8587(3) 0.0288(13) Uani d . 1 . .
    H H30A 0.3688 0.7253 0.8756 0.035 Uiso calc R 1 . .
    C C31A 0.4554(4) 0.74938(18) 0.8139(3) 0.0273(13) Uani d . 1 . .
    H H31A 0.4218 0.7721 0.8020 0.033 Uiso calc R 1 . .
    C C32A 0.4898(3) 0.80376(16) 0.6923(2) 0.0188(11) Uani d . 1 . .
    C C33A 0.4661(4) 0.84513(16) 0.6901(3) 0.0224(12) Uani d . 1 . .
    H H33A 0.4999 0.8649 0.7106 0.027 Uiso calc R 1 . .
    C C34A 0.3927(5) 0.8577(2) 0.6579(3) 0.0338(15) Uani d . 1 . .
    H H34A 0.3757 0.8856 0.6581 0.041 Uiso calc R 1 . .
    C C35A 0.3450(4) 0.82813(18) 0.6256(3) 0.0268(13) Uani d . 1 . .
    C C36A 0.3686(4) 0.78665(16) 0.6257(3) 0.0225(12) Uani d . 1 . .
    H H36A 0.3360 0.7671 0.6036 0.027 Uiso calc R 1 . .
    C C37A 0.4406(3) 0.77448(16) 0.6586(3) 0.0223(12) Uani d . 1 . .
    H H37A 0.4569 0.7466 0.6587 0.027 Uiso calc R 1 . .
    C C38A 0.6430(4) 0.75671(16) 0.6761(3) 0.0190(11) Uani d . 1 . .
    C C39A 0.6216(4) 0.71621(16) 0.6575(3) 0.0233(12) Uani d . 1 . .
    H H39A 0.5766 0.7023 0.6776 0.028 Uiso calc R 1 . .
    C C40A 0.6665(4) 0.69638(17) 0.6094(3) 0.0259(13) Uani d . 1 . .
    H H40A 0.6509 0.6696 0.5968 0.031 Uiso calc R 1 . .
    C C41A 0.7348(4) 0.71658(17) 0.5801(3) 0.0279(13) Uani d . 1 . .
    C C42A 0.7567(4) 0.75708(18) 0.5968(3) 0.0294(13) Uani d . 1 . .
    H H42A 0.8017 0.7708 0.5764 0.035 Uiso calc R 1 . .
    C C43A 0.7105(4) 0.77692(16) 0.6446(3) 0.0245(12) Uani d . 1 . .
    H H43A 0.7248 0.8041 0.6559 0.029 Uiso calc R 1 . .
    C C44A 0.6112(3) 0.92893(17) 0.7615(3) 0.0169(11) Uani d . 1 . .
    C C45A 0.6775(4) 0.89446(19) 0.6566(3) 0.0258(13) Uani d . 1 . .
    C C46A 0.8294(4) 0.87641(19) 0.7277(3) 0.0268(14) Uani d . 1 . .
    C C47A 0.8602(4) 0.85520(19) 0.8551(3) 0.0264(14) Uani d . 1 . .
    C C48A 0.7537(4) 0.86776(18) 0.9554(3) 0.0244(13) Uani d . 1 . .
    C C49A 0.6608(4) 0.92373(19) 0.8869(3) 0.0225(12) Uani d . 1 . .
    C C50A 0.5572(4) 0.85929(17) 0.8307(3) 0.0209(12) Uani d . 1 . .
    C C51A 0.6575(3) 0.79496(17) 0.8782(3) 0.0224(12) Uani d . 1 . .
    C C52A 0.7664(4) 0.80307(18) 0.7795(3) 0.0240(13) Uani d . 1 . .
    Ru Ru1B 0.76562(3) 0.404684(13) 0.21133(2) 0.01615(9) Uani d . 1 . .
    Ru Ru2B 0.71762(3) 0.390935(14) 0.08150(2) 0.01571(9) Uani d . 1 . .
    Ru Ru3B 0.82420(3) 0.331820(13) 0.14264(2) 0.01630(9) Uani d . 1 . .
    As As1B 0.69289(3) 0.471718(17) 0.21422(3) 0.01617(11) Uani d . 1 . .
    As As2B 0.61823(3) 0.448989(17) 0.07413(3) 0.01516(11) Uani d . 1 . .
    Cl Cl1B 1.23194(11) 0.36598(7) 0.33938(9) 0.0486(5) Uani d . 1 . .
    Cl Cl2B 0.70877(12) 0.17846(6) 0.39212(9) 0.0480(5) Uani d . 1 . .
    Cl Cl3B 1.03218(12) 0.15085(5) -0.00982(8) 0.0367(4) Uani d . 1 . .
    P P1B 0.91864(9) 0.28571(5) 0.19197(7) 0.0193(3) Uani d . 1 . .
    O O1B 0.5867(3) 0.37206(15) 0.2505(2) 0.0379(12) Uani d . 1 . .
    O O2B 0.8387(3) 0.40260(16) 0.3447(2) 0.0404(12) Uani d . 1 . .
    O O3B 0.9418(3) 0.44198(13) 0.1757(2) 0.0288(10) Uani d . 1 . .
    O O4B 0.8718(3) 0.44566(15) 0.0440(2) 0.0350(11) Uani d . 1 . .
    O O5B 0.7101(3) 0.35180(16) -0.0490(2) 0.0439(13) Uani d . 1 . .
    O O6B 0.5676(3) 0.33425(13) 0.1214(2) 0.0340(11) Uani d . 1 . .
    O O7B 0.6812(3) 0.29361(12) 0.2249(2) 0.0312(10) Uani d . 1 . .
    O O8B 0.7804(3) 0.27596(12) 0.0315(2) 0.0344(10) Uani d . 1 . .
    O O9B 0.9868(3) 0.37323(13) 0.0875(2) 0.0298(10) Uani d . 1 . .
    C C1B 0.6292(3) 0.48489(19) 0.2911(3) 0.0202(12) Uani d . 1 . .
    C C2B 0.5829(4) 0.52199(19) 0.2950(3) 0.0287(14) Uani d . 1 . .
    H H2BA 0.5841 0.5409 0.2616 0.034 Uiso calc R 1 . .
    C C3B 0.5350(5) 0.5308(2) 0.3490(3) 0.0315(15) Uani d . 1 . .
    H H3BA 0.5031 0.5553 0.3514 0.038 Uiso calc R 1 . .
    C C4B 0.5346(4) 0.5034(2) 0.3989(3) 0.0322(16) Uani d . 1 . .
    H H4BA 0.5031 0.5095 0.4352 0.039 Uiso calc R 1 . .
    C C5B 0.5810(4) 0.4665(2) 0.3954(3) 0.0269(14) Uani d . 1 . .
    H H5BA 0.5808 0.4481 0.4294 0.032 Uiso calc R 1 . .
    C C6B 0.6275(4) 0.4571(2) 0.3414(3) 0.0245(13) Uani d . 1 . .
    H H6BA 0.6577 0.4321 0.3389 0.029 Uiso calc R 1 . .
    C C7B 0.7590(4) 0.52269(18) 0.2058(3) 0.0219(12) Uani d . 1 . .
    C C8B 0.7296(4) 0.55764(19) 0.1754(3) 0.0303(15) Uani d . 1 . .
    H H8BA 0.6770 0.5566 0.1543 0.036 Uiso calc R 1 . .
    C C9B 0.7772(5) 0.5950(2) 0.1753(4) 0.0412(18) Uani d . 1 . .
    H H9BA 0.7574 0.6184 0.1537 0.049 Uiso calc R 1 . .
    C C10B 0.8549(5) 0.5958(2) 0.2083(4) 0.0389(17) Uani d . 1 . .
    H H10B 0.8868 0.6204 0.2096 0.047 Uiso calc R 1 . .
    C C11B 0.8848(4) 0.5614(2) 0.2388(3) 0.0360(16) Uani d . 1 . .
    H H11B 0.9371 0.5626 0.2603 0.043 Uiso calc R 1 . .
    C C12B 0.8379(4) 0.52451(19) 0.2380(3) 0.0259(13) Uani d . 1 . .
    H H12B 0.8588 0.5010 0.2589 0.031 Uiso calc R 1 . .
    C C13B 0.5951(3) 0.47638(18) 0.1548(2) 0.0184(11) Uani d . 1 . .
    H H13C 0.5442 0.4640 0.1738 0.022 Uiso calc R 1 . .
    H H13D 0.5828 0.5056 0.1472 0.022 Uiso calc R 1 . .
    C C14B 0.5029(4) 0.43323(18) 0.0468(3) 0.0202(12) Uani d . 1 . .
    C C15B 0.4308(4) 0.4566(2) 0.0619(3) 0.0253(13) Uani d . 1 . .
    H H15B 0.4362 0.4798 0.0880 0.030 Uiso calc R 1 . .
    C C16B 0.3502(4) 0.4457(2) 0.0382(3) 0.0330(15) Uani d . 1 . .
    H H16B 0.3026 0.4625 0.0468 0.040 Uiso calc R 1 . .
    C C17B 0.3405(4) 0.4113(2) 0.0032(3) 0.0357(16) Uani d . 1 . .
    H H17B 0.2858 0.4037 -0.0107 0.043 Uiso calc R 1 . .
    C C18B 0.4118(4) 0.3865(2) -0.0129(3) 0.0319(14) Uani d . 1 . .
    H H18B 0.4050 0.3626 -0.0373 0.038 Uiso calc R 1 . .
    C C19B 0.4932(4) 0.39849(18) 0.0085(3) 0.0253(13) Uani d . 1 . .
    H H19B 0.5415 0.3830 -0.0030 0.030 Uiso calc R 1 . .
    C C20B 0.6397(3) 0.49514(18) 0.0165(3) 0.0176(11) Uani d . 1 . .
    C C21B 0.6873(4) 0.48708(19) -0.0379(3) 0.0232(12) Uani d . 1 . .
    H H21B 0.7145 0.4615 -0.0434 0.028 Uiso calc R 1 . .
    C C22B 0.6938(4) 0.5183(2) -0.0849(3) 0.0300(14) Uani d . 1 . .
    H H22B 0.7263 0.5136 -0.1212 0.036 Uiso calc R 1 . .
    C C23B 0.6513(4) 0.55585(19) -0.0764(3) 0.0279(14) Uani d . 1 . .
    H H23B 0.6528 0.5758 -0.1084 0.034 Uiso calc R 1 . .
    C C24B 0.6069(4) 0.56427(19) -0.0217(3) 0.0254(13) Uani d . 1 . .
    H H24B 0.5823 0.5904 -0.0156 0.030 Uiso calc R 1 . .
    C C25B 0.5986(4) 0.53407(17) 0.0241(3) 0.0225(12) Uani d . 1 . .
    H H25B 0.5660 0.5393 0.0602 0.027 Uiso calc R 1 . .
    C C26B 1.0114(4) 0.30885(16) 0.2309(3) 0.0222(12) Uani d . 1 . .
    C C27B 1.0950(4) 0.29864(18) 0.2171(3) 0.0269(12) Uani d . 1 . .
    H H27B 1.1059 0.2789 0.1858 0.032 Uiso calc R 1 . .
    C C28B 1.1641(4) 0.31693(19) 0.2486(3) 0.0335(14) Uani d . 1 . .
    H H28B 1.2206 0.3100 0.2382 0.040 Uiso calc R 1 . .
    C C29B 1.1470(4) 0.3453(2) 0.2951(3) 0.0304(14) Uani d . 1 . .
    C C30B 1.0650(4) 0.35748(19) 0.3093(3) 0.0332(15) Uani d . 1 . .
    H H30B 1.0548 0.3776 0.3402 0.040 Uiso calc R 1 . .
    C C31B 0.9973(4) 0.3392(2) 0.2768(3) 0.0352(16) Uani d . 1 . .
    H H31B 0.9411 0.3475 0.2858 0.042 Uiso calc R 1 . .
    C C32B 0.8686(4) 0.25350(18) 0.2524(3) 0.0239(13) Uani d . 1 . .
    C C33B 0.8762(5) 0.2596(2) 0.3172(3) 0.0425(18) Uani d . 1 . .
    H H33B 0.9137 0.2799 0.3325 0.051 Uiso calc R 1 . .
    C C34B 0.8283(5) 0.2357(3) 0.3597(3) 0.049(2) Uani d . 1 . .
    H H34B 0.8355 0.2397 0.4030 0.059 Uiso calc R 1 . .
    C C35B 0.7712(4) 0.2068(2) 0.3386(3) 0.0373(16) Uani d . 1 . .
    C C36B 0.7611(4) 0.19962(18) 0.2742(3) 0.0298(13) Uani d . 1 . .
    H H36B 0.7223 0.1797 0.2597 0.036 Uiso calc R 1 . .
    C C37B 0.8098(4) 0.22274(17) 0.2322(3) 0.0286(13) Uani d . 1 . .
    H H37B 0.8035 0.2179 0.1891 0.034 Uiso calc R 1 . .
    C C38B 0.9646(4) 0.24721(17) 0.1374(3) 0.0208(11) Uani d . 1 . .
    C C39B 0.9812(4) 0.20657(19) 0.1534(3) 0.0331(14) Uani d . 1 . .
    H H39B 0.9776 0.1988 0.1957 0.040 Uiso calc R 1 . .
    C C40B 1.0030(4) 0.17686(19) 0.1093(3) 0.0329(15) Uani d . 1 . .
    H H40B 1.0125 0.1494 0.1215 0.039 Uiso calc R 1 . .
    C C41B 1.0105(4) 0.18817(18) 0.0477(3) 0.0273(14) Uani d . 1 . .
    C C42B 1.0025(4) 0.22937(18) 0.0293(3) 0.0300(13) Uani d . 1 . .
    H H42B 1.0131 0.2371 -0.0124 0.036 Uiso calc R 1 . .
    C C43B 0.9788(4) 0.25862(17) 0.0732(3) 0.0260(12) Uani d . 1 . .
    H H43B 0.9719 0.2863 0.0609 0.031 Uiso calc R 1 . .
    C C44B 0.6542(4) 0.38193(18) 0.2335(3) 0.0244(12) Uani d . 1 . .
    C C45B 0.8092(4) 0.40198(19) 0.2940(3) 0.0270(13) Uani d . 1 . .
    C C46B 0.8754(4) 0.42610(18) 0.1845(3) 0.0209(12) Uani d . 1 . .
    C C47B 0.8165(4) 0.42541(19) 0.0607(3) 0.0241(13) Uani d . 1 . .
    C C48B 0.7119(4) 0.3673(2) 0.0001(3) 0.0288(14) Uani d . 1 . .
    C C49B 0.6249(4) 0.35482(18) 0.1088(3) 0.0210(12) Uani d . 1 . .
    C C50B 0.7320(4) 0.31035(18) 0.1952(3) 0.0227(12) Uani d . 1 . .
    C C51B 0.7993(4) 0.29710(17) 0.0731(3) 0.0247(12) Uani d . 1 . .
    C C52B 0.9240(4) 0.35981(18) 0.1074(3) 0.0217(12) Uani d . 1 . .
    Cl Cl4 0.92574(16) 0.79197(6) 1.01220(10) 0.0600(6) Uani d . 1 . .
    Cl Cl5 0.87858(17) 0.73493(7) 0.91326(12) 0.0761(8) Uani d . 1 . .
    Cl Cl6 1.03351(14) 0.72054(7) 0.98448(11) 0.0591(6) Uani d . 1 . .
    C C53 0.9641(5) 0.7592(2) 0.9540(3) 0.0466(19) Uani d . 1 . .
    H H53A 0.9968 0.7760 0.9236 0.056 Uiso calc R 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
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 C45A . 1.902(6) ?
    Ru1A C46A . 1.917(6) ?
    Ru1A C44A . 1.930(6) ?
    Ru1A As1A . 2.4238(7) ?
    Ru1A Ru3A . 2.8688(6) ?
    Ru1A Ru2A . 2.8807(6) ?
    Ru2A C48A . 1.908(6) ?
    Ru2A C49A . 1.913(6) ?
    Ru2A C47A . 1.937(6) ?
    Ru2A As2A . 2.4313(7) ?
    Ru2A Ru3A . 2.8380(6) ?
    Ru3A C51A . 1.896(6) ?
    Ru3A C52A . 1.918(6) ?
    Ru3A C50A . 1.946(6) ?
    Ru3A P1A . 2.3412(15) ?
    As1A C7A . 1.948(5) ?
    As1A C13A . 1.957(5) ?
    As1A C1A . 1.960(5) ?
    As2A C14A . 1.943(6) ?
    As2A C20A . 1.944(5) ?
    As2A C13A . 1.970(5) ?
    Cl1A C29A . 1.738(6) ?
    Cl2A C35A . 1.752(6) ?
    Cl3A C41A . 1.740(6) ?
    P1A C26A . 1.836(5) ?
    P1A C32A . 1.843(5) ?
    P1A C38A . 1.848(6) ?
    O1A C44A . 1.143(7) ?
    O2A C45A . 1.133(7) ?
    O3A C46A . 1.151(7) ?
    O4A C47A . 1.142(7) ?
    O5A C48A . 1.141(7) ?
    O6A C49A . 1.159(7) ?
    O7A C50A . 1.140(7) ?
    O8A C51A . 1.125(6) ?
    O9A C52A . 1.159(7) ?
    C1A C2A . 1.383(8) ?
    C1A C6A . 1.383(8) ?
    C2A C3A . 1.393(8) ?
    C2A H2AA . 0.9300 ?
    C3A C4A . 1.350(9) ?
    C3A H3AA . 0.9300 ?
    C4A C5A . 1.385(9) ?
    C4A H4AA . 0.9300 ?
    C5A C6A . 1.391(8) ?
    C5A H5AA . 0.9300 ?
    C6A H6AA . 0.9300 ?
    C7A C12A . 1.376(8) ?
    C7A C8A . 1.402(8) ?
    C8A C9A . 1.383(9) ?
    C8A H8AA . 0.9300 ?
    C9A C10A . 1.367(10) ?
    C9A H9AA . 0.9300 ?
    C10A C11A . 1.396(9) ?
    C10A H10A . 0.9300 ?
    C11A C12A . 1.397(8) ?
    C11A H11A . 0.9300 ?
    C12A H12A . 0.9300 ?
    C13A H13A . 0.9700 ?
    C13A H13B . 0.9700 ?
    C14A C15A . 1.384(8) ?
    C14A C19A . 1.391(8) ?
    C15A C16A . 1.380(8) ?
    C15A H15A . 0.9300 ?
    C16A C17A . 1.386(9) ?
    C16A H16A . 0.9300 ?
    C17A C18A . 1.372(9) ?
    C17A H17A . 0.9300 ?
    C18A C19A . 1.390(8) ?
    C18A H18A . 0.9300 ?
    C19A H19A . 0.9300 ?
    C20A C25A . 1.362(8) ?
    C20A C21A . 1.425(8) ?
    C21A C22A . 1.374(8) ?
    C21A H21A . 0.9300 ?
    C22A C23A . 1.361(10) ?
    C22A H22A . 0.9300 ?
    C23A C24A . 1.378(10) ?
    C23A H23A . 0.9300 ?
    C24A C25A . 1.414(9) ?
    C24A H24A . 0.9300 ?
    C25A H25A . 0.9300 ?
    C26A C31A . 1.375(8) ?
    C26A C27A . 1.401(8) ?
    C27A C28A . 1.370(8) ?
    C27A H27A . 0.9300 ?
    C28A C29A . 1.391(8) ?
    C28A H28A . 0.9300 ?
    C29A C30A . 1.360(8) ?
    C30A C31A . 1.390(8) ?
    C30A H30A . 0.9300 ?
    C31A H31A . 0.9300 ?
    C32A C33A . 1.376(7) ?
    C32A C37A . 1.403(7) ?
    C33A C34A . 1.386(9) ?
    C33A H33A . 0.9300 ?
    C34A C35A . 1.383(9) ?
    C34A H34A . 0.9300 ?
    C35A C36A . 1.379(8) ?
    C36A C37A . 1.371(7) ?
    C36A H36A . 0.9300 ?
    C37A H37A . 0.9300 ?
    C38A C39A . 1.396(7) ?
    C38A C43A . 1.398(8) ?
    C39A C40A . 1.386(8) ?
    C39A H39A . 0.9300 ?
    C40A C41A . 1.386(8) ?
    C40A H40A . 0.9300 ?
    C41A C42A . 1.388(8) ?
    C42A C43A . 1.393(8) ?
    C42A H42A . 0.9300 ?
    C43A H43A . 0.9300 ?
    Ru1B C45B . 1.875(6) ?
    Ru1B C46B . 1.919(6) ?
    Ru1B C44B . 1.931(6) ?
    Ru1B As1B . 2.4267(7) ?
    Ru1B Ru2B . 2.8766(7) ?
    Ru1B Ru3B . 2.8956(6) ?
    Ru2B C48B . 1.881(6) ?
    Ru2B C49B . 1.932(6) ?
    Ru2B C47B . 1.939(6) ?
    Ru2B As2B . 2.4201(7) ?
    Ru2B Ru3B . 2.8259(6) ?
    Ru3B C51B . 1.884(6) ?
    Ru3B C50B . 1.936(6) ?
    Ru3B C52B . 1.936(6) ?
    Ru3B P1B . 2.3262(15) ?
    As1B C7B . 1.936(6) ?
    As1B C1B . 1.948(6) ?
    As1B C13B . 1.974(5) ?
    As2B C14B . 1.945(5) ?
    As2B C20B . 1.945(6) ?
    As2B C13B . 1.950(5) ?
    Cl1B C29B . 1.744(6) ?
    Cl2B C35B . 1.743(6) ?
    Cl3B C41B . 1.738(6) ?
    P1B C26B . 1.814(6) ?
    P1B C32B . 1.816(6) ?
    P1B C38B . 1.832(6) ?
    O1B C44B . 1.151(7) ?
    O2B C45B . 1.164(8) ?
    O3B C46B . 1.162(7) ?
    O4B C47B . 1.132(7) ?
    O5B C48B . 1.151(7) ?
    O6B C49B . 1.138(7) ?
    O7B C50B . 1.141(7) ?
    O8B C51B . 1.148(7) ?
    O9B C52B . 1.144(7) ?
    C1B C6B . 1.388(8) ?
    C1B C2B . 1.391(8) ?
    C2B C3B . 1.391(9) ?
    C2B H2BA . 0.9300 ?
    C3B C4B . 1.373(9) ?
    C3B H3BA . 0.9300 ?
    C4B C5B . 1.384(9) ?
    C4B H4BA . 0.9300 ?
    C5B C6B . 1.383(8) ?
    C5B H5BA . 0.9300 ?
    C6B H6BA . 0.9300 ?
    C7B C8B . 1.369(9) ?
    C7B C12B . 1.401(8) ?
    C8B C9B . 1.406(9) ?
    C8B H8BA . 0.9300 ?
    C9B C10B . 1.392(11) ?
    C9B H9BA . 0.9300 ?
    C10B C11B . 1.358(10) ?
    C10B H10B . 0.9300 ?
    C11B C12B . 1.389(8) ?
    C11B H11B . 0.9300 ?
    C12B H12B . 0.9300 ?
    C13B H13C . 0.9700 ?
    C13B H13D . 0.9700 ?
    C14B C15B . 1.382(8) ?
    C14B C19B . 1.384(8) ?
    C15B C16B . 1.389(9) ?
    C15B H15B . 0.9300 ?
    C16B C17B . 1.337(9) ?
    C16B H16B . 0.9300 ?
    C17B C18B . 1.403(9) ?
    C17B H17B . 0.9300 ?
    C18B C19B . 1.394(8) ?
    C18B H18B . 0.9300 ?
    C19B H19B . 0.9300 ?
    C20B C21B . 1.390(8) ?
    C20B C25B . 1.410(8) ?
    C21B C22B . 1.413(8) ?
    C21B H21B . 0.9300 ?
    C22B C23B . 1.383(9) ?
    C22B H22B . 0.9300 ?
    C23B C24B . 1.373(9) ?
    C23B H23B . 0.9300 ?
    C24B C25B . 1.375(8) ?
    C24B H24B . 0.9300 ?
    C25B H25B . 0.9300 ?
    C26B C27B . 1.367(8) ?
    C26B C31B . 1.392(8) ?
    C27B C28B . 1.390(8) ?
    C27B H27B . 0.9300 ?
    C28B C29B . 1.366(9) ?
    C28B H28B . 0.9300 ?
    C29B C30B . 1.362(9) ?
    C30B C31B . 1.383(8) ?
    C30B H30B . 0.9300 ?
    C31B H31B . 0.9300 ?
    C32B C33B . 1.388(8) ?
    C32B C37B . 1.409(8) ?
    C33B C34B . 1.395(9) ?
    C33B H33B . 0.9300 ?
    C34B C35B . 1.358(10) ?
    C34B H34B . 0.9300 ?
    C35B C36B . 1.389(9) ?
    C36B C37B . 1.380(8) ?
    C36B H36B . 0.9300 ?
    C37B H37B . 0.9300 ?
    C38B C39B . 1.370(8) ?
    C38B C43B . 1.422(8) ?
    C39B C40B . 1.375(8) ?
    C39B H39B . 0.9300 ?
    C40B C41B . 1.355(8) ?
    C40B H40B . 0.9300 ?
    C41B C42B . 1.382(8) ?
    C42B C43B . 1.369(8) ?
    C42B H42B . 0.9300 ?
    C43B H43B . 0.9300 ?
    Cl4 C53 . 1.723(7) ?
    Cl5 C53 . 1.761(8) ?
    Cl6 C53 . 1.763(7) ?
    C53 H53A . 0.9800 ?
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
    C45A Ru1A C46A . . 96.6(3) ?
    C45A Ru1A C44A . . 88.8(2) ?
    C46A Ru1A C44A . . 174.4(2) ?
    C45A Ru1A As1A . . 104.81(19) ?
    C46A Ru1A As1A . . 86.42(19) ?
    C44A Ru1A As1A . . 93.66(16) ?
    C45A Ru1A Ru3A . . 102.91(19) ?
    C46A Ru1A Ru3A . . 89.15(18) ?
    C44A Ru1A Ru3A . . 88.17(16) ?
    As1A Ru1A Ru3A . . 152.25(2) ?
    C45A Ru1A Ru2A . . 162.03(19) ?
    C46A Ru1A Ru2A . . 82.80(19) ?
    C44A Ru1A Ru2A . . 91.58(16) ?
    As1A Ru1A Ru2A . . 93.10(2) ?
    Ru3A Ru1A Ru2A . . 59.156(15) ?
    C48A Ru2A C49A . . 90.7(3) ?
    C48A Ru2A C47A . . 89.9(3) ?
    C49A Ru2A C47A . . 179.1(3) ?
    C48A Ru2A As2A . . 104.65(17) ?
    C49A Ru2A As2A . . 93.89(17) ?
    C47A Ru2A As2A . . 86.69(18) ?
    C48A Ru2A Ru3A . . 100.12(17) ?
    C49A Ru2A Ru3A . . 91.88(17) ?
    C47A Ru2A Ru3A . . 87.29(18) ?
    As2A Ru2A Ru3A . . 154.47(3) ?
    C48A Ru2A Ru1A . . 159.44(17) ?
    C49A Ru2A Ru1A . . 84.48(17) ?
    C47A Ru2A Ru1A . . 94.75(19) ?
    As2A Ru2A Ru1A . . 95.62(2) ?
    Ru3A Ru2A Ru1A . . 60.215(16) ?
    C51A Ru3A C52A . . 89.9(2) ?
    C51A Ru3A C50A . . 92.2(2) ?
    C52A Ru3A C50A . . 177.0(2) ?
    C51A Ru3A P1A . . 97.00(17) ?
    C52A Ru3A P1A . . 89.73(17) ?
    C50A Ru3A P1A . . 92.19(17) ?
    C51A Ru3A Ru2A . . 90.83(17) ?
    C52A Ru3A Ru2A . . 88.99(17) ?
    C50A Ru3A Ru2A . . 88.79(17) ?
    P1A Ru3A Ru2A . . 172.07(4) ?
    C51A Ru3A Ru1A . . 151.36(17) ?
    C52A Ru3A Ru1A . . 87.52(17) ?
    C50A Ru3A Ru1A . . 89.60(17) ?
    P1A Ru3A Ru1A . . 111.50(4) ?
    Ru2A Ru3A Ru1A . . 60.630(15) ?
    C7A As1A C13A . . 107.0(2) ?
    C7A As1A C1A . . 99.9(2) ?
    C13A As1A C1A . . 96.6(2) ?
    C7A As1A Ru1A . . 117.73(16) ?
    C13A As1A Ru1A . . 113.97(16) ?
    C1A As1A Ru1A . . 118.72(18) ?
    C14A As2A C20A . . 97.8(2) ?
    C14A As2A C13A . . 104.9(2) ?
    C20A As2A C13A . . 101.6(2) ?
    C14A As2A Ru2A . . 121.84(17) ?
    C20A As2A Ru2A . . 114.21(17) ?
    C13A As2A Ru2A . . 113.60(16) ?
    C26A P1A C32A . . 102.0(3) ?
    C26A P1A C38A . . 104.1(2) ?
    C32A P1A C38A . . 100.3(2) ?
    C26A P1A Ru3A . . 107.82(17) ?
    C32A P1A Ru3A . . 121.96(18) ?
    C38A P1A Ru3A . . 118.36(19) ?
    C2A C1A C6A . . 120.4(5) ?
    C2A C1A As1A . . 119.1(4) ?
    C6A C1A As1A . . 120.5(4) ?
    C1A C2A C3A . . 119.4(6) ?
    C1A C2A H2AA . . 120.3 ?
    C3A C2A H2AA . . 120.3 ?
    C4A C3A C2A . . 120.4(6) ?
    C4A C3A H3AA . . 119.8 ?
    C2A C3A H3AA . . 119.8 ?
    C3A C4A C5A . . 120.8(6) ?
    C3A C4A H4AA . . 119.6 ?
    C5A C4A H4AA . . 119.6 ?
    C4A C5A C6A . . 119.7(6) ?
    C4A C5A H5AA . . 120.1 ?
    C6A C5A H5AA . . 120.1 ?
    C1A C6A C5A . . 119.3(6) ?
    C1A C6A H6AA . . 120.3 ?
    C5A C6A H6AA . . 120.3 ?
    C12A C7A C8A . . 119.9(5) ?
    C12A C7A As1A . . 116.6(4) ?
    C8A C7A As1A . . 123.5(4) ?
    C9A C8A C7A . . 118.8(6) ?
    C9A C8A H8AA . . 120.6 ?
    C7A C8A H8AA . . 120.6 ?
    C10A C9A C8A . . 121.7(6) ?
    C10A C9A H9AA . . 119.2 ?
    C8A C9A H9AA . . 119.2 ?
    C9A C10A C11A . . 119.9(6) ?
    C9A C10A H10A . . 120.1 ?
    C11A C10A H10A . . 120.1 ?
    C10A C11A C12A . . 119.0(6) ?
    C10A C11A H11A . . 120.5 ?
    C12A C11A H11A . . 120.5 ?
    C7A C12A C11A . . 120.7(6) ?
    C7A C12A H12A . . 119.6 ?
    C11A C12A H12A . . 119.6 ?
    As1A C13A As2A . . 112.7(3) ?
    As1A C13A H13A . . 109.1 ?
    As2A C13A H13A . . 109.1 ?
    As1A C13A H13B . . 109.1 ?
    As2A C13A H13B . . 109.1 ?
    H13A C13A H13B . . 107.8 ?
    C15A C14A C19A . . 120.5(5) ?
    C15A C14A As2A . . 117.2(4) ?
    C19A C14A As2A . . 121.8(4) ?
    C16A C15A C14A . . 119.3(6) ?
    C16A C15A H15A . . 120.4 ?
    C14A C15A H15A . . 120.4 ?
    C15A C16A C17A . . 121.1(6) ?
    C15A C16A H16A . . 119.4 ?
    C17A C16A H16A . . 119.4 ?
    C18A C17A C16A . . 119.1(6) ?
    C18A C17A H17A . . 120.5 ?
    C16A C17A H17A . . 120.5 ?
    C17A C18A C19A . . 121.1(6) ?
    C17A C18A H18A . . 119.4 ?
    C19A C18A H18A . . 119.4 ?
    C18A C19A C14A . . 119.0(6) ?
    C18A C19A H19A . . 120.5 ?
    C14A C19A H19A . . 120.5 ?
    C25A C20A C21A . . 119.8(5) ?
    C25A C20A As2A . . 123.7(4) ?
    C21A C20A As2A . . 116.4(4) ?
    C22A C21A C20A . . 118.5(6) ?
    C22A C21A H21A . . 120.7 ?
    C20A C21A H21A . . 120.7 ?
    C23A C22A C21A . . 122.5(6) ?
    C23A C22A H22A . . 118.8 ?
    C21A C22A H22A . . 118.8 ?
    C22A C23A C24A . . 118.9(6) ?
    C22A C23A H23A . . 120.5 ?
    C24A C23A H23A . . 120.5 ?
    C23A C24A C25A . . 120.7(6) ?
    C23A C24A H24A . . 119.6 ?
    C25A C24A H24A . . 119.6 ?
    C20A C25A C24A . . 119.4(6) ?
    C20A C25A H25A . . 120.3 ?
    C24A C25A H25A . . 120.3 ?
    C31A C26A C27A . . 117.4(5) ?
    C31A C26A P1A . . 120.5(4) ?
    C27A C26A P1A . . 120.9(4) ?
    C28A C27A C26A . . 121.9(6) ?
    C28A C27A H27A . . 119.0 ?
    C26A C27A H27A . . 119.0 ?
    C27A C28A C29A . . 118.9(5) ?
    C27A C28A H28A . . 120.5 ?
    C29A C28A H28A . . 120.5 ?
    C30A C29A C28A . . 120.4(5) ?
    C30A C29A Cl1A . . 120.3(5) ?
    C28A C29A Cl1A . . 119.2(4) ?
    C29A C30A C31A . . 120.0(6) ?
    C29A C30A H30A . . 120.0 ?
    C31A C30A H30A . . 120.0 ?
    C26A C31A C30A . . 121.3(5) ?
    C26A C31A H31A . . 119.4 ?
    C30A C31A H31A . . 119.4 ?
    C33A C32A C37A . . 118.8(5) ?
    C33A C32A P1A . . 122.5(4) ?
    C37A C32A P1A . . 118.7(4) ?
    C32A C33A C34A . . 121.1(5) ?
    C32A C33A H33A . . 119.5 ?
    C34A C33A H33A . . 119.5 ?
    C35A C34A C33A . . 118.7(5) ?
    C35A C34A H34A . . 120.6 ?
    C33A C34A H34A . . 120.6 ?
    C36A C35A C34A . . 121.3(5) ?
    C36A C35A Cl2A . . 118.0(4) ?
    C34A C35A Cl2A . . 120.6(5) ?
    C37A C36A C35A . . 119.4(5) ?
    C37A C36A H36A . . 120.3 ?
    C35A C36A H36A . . 120.3 ?
    C36A C37A C32A . . 120.6(5) ?
    C36A C37A H37A . . 119.7 ?
    C32A C37A H37A . . 119.7 ?
    C39A C38A C43A . . 118.3(5) ?
    C39A C38A P1A . . 122.9(4) ?
    C43A C38A P1A . . 118.8(4) ?
    C40A C39A C38A . . 120.9(5) ?
    C40A C39A H39A . . 119.5 ?
    C38A C39A H39A . . 119.5 ?
    C41A C40A C39A . . 119.8(5) ?
    C41A C40A H40A . . 120.1 ?
    C39A C40A H40A . . 120.1 ?
    C40A C41A C42A . . 120.7(6) ?
    C40A C41A Cl3A . . 119.8(4) ?
    C42A C41A Cl3A . . 119.5(5) ?
    C41A C42A C43A . . 119.1(6) ?
    C41A C42A H42A . . 120.5 ?
    C43A C42A H42A . . 120.5 ?
    C42A C43A C38A . . 121.2(5) ?
    C42A C43A H43A . . 119.4 ?
    C38A C43A H43A . . 119.4 ?
    O1A C44A Ru1A . . 174.0(5) ?
    O2A C45A Ru1A . . 177.2(6) ?
    O3A C46A Ru1A . . 172.1(5) ?
    O4A C47A Ru2A . . 172.5(6) ?
    O5A C48A Ru2A . . 176.2(6) ?
    O6A C49A Ru2A . . 173.7(5) ?
    O7A C50A Ru3A . . 173.6(5) ?
    O8A C51A Ru3A . . 178.0(5) ?
    O9A C52A Ru3A . . 173.1(5) ?
    C45B Ru1B C46B . . 88.4(3) ?
    C45B Ru1B C44B . . 94.5(3) ?
    C46B Ru1B C44B . . 176.7(3) ?
    C45B Ru1B As1B . . 100.63(19) ?
    C46B Ru1B As1B . . 95.86(17) ?
    C44B Ru1B As1B . . 85.03(17) ?
    C45B Ru1B Ru2B . . 167.10(19) ?
    C46B Ru1B Ru2B . . 90.12(17) ?
    C44B Ru1B Ru2B . . 86.70(19) ?
    As1B Ru1B Ru2B . . 92.27(2) ?
    C45B Ru1B Ru3B . . 108.49(19) ?
    C46B Ru1B Ru3B . . 82.11(17) ?
    C44B Ru1B Ru3B . . 95.57(17) ?
    As1B Ru1B Ru3B . . 150.71(3) ?
    Ru2B Ru1B Ru3B . . 58.622(15) ?
    C48B Ru2B C49B . . 89.8(3) ?
    C48B Ru2B C47B . . 93.4(3) ?
    C49B Ru2B C47B . . 174.8(2) ?
    C48B Ru2B As2B . . 102.75(18) ?
    C49B Ru2B As2B . . 90.40(17) ?
    C47B Ru2B As2B . . 92.86(17) ?
    C48B Ru2B Ru3B . . 100.12(19) ?
    C49B Ru2B Ru3B . . 84.05(17) ?
    C47B Ru2B Ru3B . . 91.38(17) ?
    As2B Ru2B Ru3B . . 156.44(3) ?
    C48B Ru2B Ru1B . . 161.05(19) ?
    C49B Ru2B Ru1B . . 89.97(17) ?
    C47B Ru2B Ru1B . . 85.67(18) ?
    As2B Ru2B Ru1B . . 96.20(2) ?
    Ru3B Ru2B Ru1B . . 61.024(16) ?
    C51B Ru3B C50B . . 95.0(2) ?
    C51B Ru3B C52B . . 97.8(2) ?
    C50B Ru3B C52B . . 167.0(2) ?
    C51B Ru3B P1B . . 95.91(18) ?
    C50B Ru3B P1B . . 88.90(17) ?
    C52B Ru3B P1B . . 87.99(17) ?
    C51B Ru3B Ru2B . . 85.40(18) ?
    C50B Ru3B Ru2B . . 94.01(17) ?
    C52B Ru3B Ru2B . . 88.84(17) ?
    P1B Ru3B Ru2B . . 176.70(4) ?
    C51B Ru3B Ru1B . . 143.48(18) ?
    C50B Ru3B Ru1B . . 76.58(17) ?
    C52B Ru3B Ru1B . . 93.99(16) ?
    P1B Ru3B Ru1B . . 119.00(4) ?
    Ru2B Ru3B Ru1B . . 60.354(16) ?
    C7B As1B C1B . . 99.3(2) ?
    C7B As1B C13B . . 106.5(2) ?
    C1B As1B C13B . . 97.2(2) ?
    C7B As1B Ru1B . . 119.95(17) ?
    C1B As1B Ru1B . . 116.63(18) ?
    C13B As1B Ru1B . . 114.04(16) ?
    C14B As2B C20B . . 99.7(2) ?
    C14B As2B C13B . . 102.0(2) ?
    C20B As2B C13B . . 103.7(2) ?
    C14B As2B Ru2B . . 113.83(17) ?
    C20B As2B Ru2B . . 121.07(16) ?
    C13B As2B Ru2B . . 114.02(16) ?
    C26B P1B C32B . . 104.6(3) ?
    C26B P1B C38B . . 104.7(2) ?
    C32B P1B C38B . . 103.0(3) ?
    C26B P1B Ru3B . . 116.21(18) ?
    C32B P1B Ru3B . . 114.07(19) ?
    C38B P1B Ru3B . . 112.95(19) ?
    C6B C1B C2B . . 119.6(6) ?
    C6B C1B As1B . . 120.6(5) ?
    C2B C1B As1B . . 119.7(5) ?
    C1B C2B C3B . . 119.8(6) ?
    C1B C2B H2BA . . 120.1 ?
    C3B C2B H2BA . . 120.1 ?
    C4B C3B C2B . . 120.2(6) ?
    C4B C3B H3BA . . 119.9 ?
    C2B C3B H3BA . . 119.9 ?
    C3B C4B C5B . . 120.2(6) ?
    C3B C4B H4BA . . 119.9 ?
    C5B C4B H4BA . . 119.9 ?
    C6B C5B C4B . . 120.1(6) ?
    C6B C5B H5BA . . 119.9 ?
    C4B C5B H5BA . . 119.9 ?
    C5B C6B C1B . . 120.1(6) ?
    C5B C6B H6BA . . 120.0 ?
    C1B C6B H6BA . . 120.0 ?
    C8B C7B C12B . . 119.0(6) ?
    C8B C7B As1B . . 123.9(5) ?
    C12B C7B As1B . . 116.8(4) ?
    C7B C8B C9B . . 121.6(7) ?
    C7B C8B H8BA . . 119.2 ?
    C9B C8B H8BA . . 119.2 ?
    C10B C9B C8B . . 117.9(7) ?
    C10B C9B H9BA . . 121.0 ?
    C8B C9B H9BA . . 121.0 ?
    C11B C10B C9B . . 121.2(6) ?
    C11B C10B H10B . . 119.4 ?
    C9B C10B H10B . . 119.4 ?
    C10B C11B C12B . . 120.5(7) ?
    C10B C11B H11B . . 119.7 ?
    C12B C11B H11B . . 119.7 ?
    C11B C12B C7B . . 119.8(6) ?
    C11B C12B H12B . . 120.1 ?
    C7B C12B H12B . . 120.1 ?
    As2B C13B As1B . . 112.4(3) ?
    As2B C13B H13C . . 109.1 ?
    As1B C13B H13C . . 109.1 ?
    As2B C13B H13D . . 109.1 ?
    As1B C13B H13D . . 109.1 ?
    H13C C13B H13D . . 107.9 ?
    C15B C14B C19B . . 118.9(5) ?
    C15B C14B As2B . . 122.2(4) ?
    C19B C14B As2B . . 118.8(5) ?
    C14B C15B C16B . . 120.4(6) ?
    C14B C15B H15B . . 119.8 ?
    C16B C15B H15B . . 119.8 ?
    C17B C16B C15B . . 120.5(6) ?
    C17B C16B H16B . . 119.8 ?
    C15B C16B H16B . . 119.8 ?
    C16B C17B C18B . . 120.9(6) ?
    C16B C17B H17B . . 119.6 ?
    C18B C17B H17B . . 119.6 ?
    C19B C18B C17B . . 118.5(6) ?
    C19B C18B H18B . . 120.7 ?
    C17B C18B H18B . . 120.7 ?
    C14B C19B C18B . . 120.6(6) ?
    C14B C19B H19B . . 119.7 ?
    C18B C19B H19B . . 119.7 ?
    C21B C20B C25B . . 119.9(5) ?
    C21B C20B As2B . . 117.9(4) ?
    C25B C20B As2B . . 121.6(4) ?
    C20B C21B C22B . . 119.1(6) ?
    C20B C21B H21B . . 120.4 ?
    C22B C21B H21B . . 120.4 ?
    C23B C22B C21B . . 119.4(6) ?
    C23B C22B H22B . . 120.3 ?
    C21B C22B H22B . . 120.3 ?
    C24B C23B C22B . . 121.2(6) ?
    C24B C23B H23B . . 119.4 ?
    C22B C23B H23B . . 119.4 ?
    C23B C24B C25B . . 120.1(6) ?
    C23B C24B H24B . . 120.0 ?
    C25B C24B H24B . . 120.0 ?
    C24B C25B C20B . . 120.0(6) ?
    C24B C25B H25B . . 120.0 ?
    C20B C25B H25B . . 120.0 ?
    C27B C26B C31B . . 117.7(5) ?
    C27B C26B P1B . . 123.7(4) ?
    C31B C26B P1B . . 118.6(4) ?
    C26B C27B C28B . . 121.7(6) ?
    C26B C27B H27B . . 119.1 ?
    C28B C27B H27B . . 119.1 ?
    C29B C28B C27B . . 118.5(6) ?
    C29B C28B H28B . . 120.8 ?
    C27B C28B H28B . . 120.8 ?
    C30B C29B C28B . . 122.0(6) ?
    C30B C29B Cl1B . . 118.5(5) ?
    C28B C29B Cl1B . . 119.5(5) ?
    C29B C30B C31B . . 118.4(6) ?
    C29B C30B H30B . . 120.8 ?
    C31B C30B H30B . . 120.8 ?
    C30B C31B C26B . . 121.6(6) ?
    C30B C31B H31B . . 119.2 ?
    C26B C31B H31B . . 119.2 ?
    C33B C32B C37B . . 116.9(6) ?
    C33B C32B P1B . . 125.3(5) ?
    C37B C32B P1B . . 117.5(4) ?
    C32B C33B C34B . . 120.9(6) ?
    C32B C33B H33B . . 119.6 ?
    C34B C33B H33B . . 119.6 ?
    C35B C34B C33B . . 120.6(6) ?
    C35B C34B H34B . . 119.7 ?
    C33B C34B H34B . . 119.7 ?
    C34B C35B C36B . . 120.6(6) ?
    C34B C35B Cl2B . . 120.2(6) ?
    C36B C35B Cl2B . . 119.2(6) ?
    C37B C36B C35B . . 118.7(6) ?
    C37B C36B H36B . . 120.7 ?
    C35B C36B H36B . . 120.7 ?
    C36B C37B C32B . . 122.3(6) ?
    C36B C37B H37B . . 118.8 ?
    C32B C37B H37B . . 118.8 ?
    C39B C38B C43B . . 116.8(5) ?
    C39B C38B P1B . . 123.9(5) ?
    C43B C38B P1B . . 119.2(4) ?
    C38B C39B C40B . . 122.5(6) ?
    C38B C39B H39B . . 118.8 ?
    C40B C39B H39B . . 118.8 ?
    C41B C40B C39B . . 119.1(6) ?
    C41B C40B H40B . . 120.4 ?
    C39B C40B H40B . . 120.4 ?
    C40B C41B C42B . . 121.2(6) ?
    C40B C41B Cl3B . . 120.3(5) ?
    C42B C41B Cl3B . . 118.5(5) ?
    C43B C42B C41B . . 119.2(6) ?
    C43B C42B H42B . . 120.4 ?
    C41B C42B H42B . . 120.4 ?
    C42B C43B C38B . . 120.8(5) ?
    C42B C43B H43B . . 119.6 ?
    C38B C43B H43B . . 119.6 ?
    O1B C44B Ru1B . . 172.8(5) ?
    O2B C45B Ru1B . . 175.9(6) ?
    O3B C46B Ru1B . . 171.0(5) ?
    O4B C47B Ru2B . . 174.7(5) ?
    O5B C48B Ru2B . . 177.8(6) ?
    O6B C49B Ru2B . . 175.6(5) ?
    O7B C50B Ru3B . . 172.8(5) ?
    O8B C51B Ru3B . . 176.9(5) ?
    O9B C52B Ru3B . . 174.1(5) ?
    Cl4 C53 Cl5 . . 111.0(4) ?
    Cl4 C53 Cl6 . . 112.2(4) ?
    Cl5 C53 Cl6 . . 109.1(4) ?
    Cl4 C53 H53A . . 108.1 ?
    Cl5 C53 H53A . . 108.1 ?
    Cl6 C53 H53A . . 108.1 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C45A Ru1A Ru2A C48A . . . . -22.4(8) ?
    C46A Ru1A Ru2A C48A . . . . -111.6(6) ?
    C44A Ru1A Ru2A C48A . . . . 68.7(6) ?
    As1A Ru1A Ru2A C48A . . . . 162.4(6) ?
    Ru3A Ru1A Ru2A C48A . . . . -18.2(6) ?
    C45A Ru1A Ru2A C49A . . . . -99.5(6) ?
    C46A Ru1A Ru2A C49A . . . . 171.3(3) ?
    C44A Ru1A Ru2A C49A . . . . -8.4(2) ?
    As1A Ru1A Ru2A C49A . . . . 85.32(18) ?
    Ru3A Ru1A Ru2A C49A . . . . -95.36(18) ?
    C45A Ru1A Ru2A C47A . . . . 80.0(6) ?
    C46A Ru1A Ru2A C47A . . . . -9.2(3) ?
    C44A Ru1A Ru2A C47A . . . . 171.1(2) ?
    As1A Ru1A Ru2A C47A . . . . -95.18(18) ?
    Ru3A Ru1A Ru2A C47A . . . . 84.14(18) ?
    C45A Ru1A Ru2A As2A . . . . 167.1(6) ?
    C46A Ru1A Ru2A As2A . . . . 77.94(19) ?
    C44A Ru1A Ru2A As2A . . . . -101.81(16) ?
    As1A Ru1A Ru2A As2A . . . . -8.05(2) ?
    Ru3A Ru1A Ru2A As2A . . . . 171.27(2) ?
    C45A Ru1A Ru2A Ru3A . . . . -4.1(6) ?
    C46A Ru1A Ru2A Ru3A . . . . -93.32(19) ?
    C44A Ru1A Ru2A Ru3A . . . . 86.92(16) ?
    As1A Ru1A Ru2A Ru3A . . . . -179.32(2) ?
    C48A Ru2A Ru3A C51A . . . . -8.8(3) ?
    C49A Ru2A Ru3A C51A . . . . -99.9(2) ?
    C47A Ru2A Ru3A C51A . . . . 80.5(3) ?
    As2A Ru2A Ru3A C51A . . . . 157.05(17) ?
    Ru1A Ru2A Ru3A C51A . . . . 177.58(17) ?
    C48A Ru2A Ru3A C52A . . . . -98.7(3) ?
    C49A Ru2A Ru3A C52A . . . . 170.3(2) ?
    C47A Ru2A Ru3A C52A . . . . -9.3(3) ?
    As2A Ru2A Ru3A C52A . . . . 67.20(19) ?
    Ru1A Ru2A Ru3A C52A . . . . 87.73(18) ?
    C48A Ru2A Ru3A C50A . . . . 83.4(3) ?
    C49A Ru2A Ru3A C50A . . . . -7.7(2) ?
    C47A Ru2A Ru3A C50A . . . . 172.7(3) ?
    As2A Ru2A Ru3A C50A . . . . -110.74(17) ?
    Ru1A Ru2A Ru3A C50A . . . . -90.22(17) ?
    C48A Ru2A Ru3A Ru1A . . . . 173.6(2) ?
    C49A Ru2A Ru3A Ru1A . . . . 82.55(18) ?
    C47A Ru2A Ru3A Ru1A . . . . -97.04(19) ?
    As2A Ru2A Ru3A Ru1A . . . . -20.53(5) ?
    C45A Ru1A Ru3A C51A . . . . 173.6(4) ?
    C46A Ru1A Ru3A C51A . . . . 77.1(4) ?
    C44A Ru1A Ru3A C51A . . . . -98.0(4) ?
    As1A Ru1A Ru3A C51A . . . . -3.6(4) ?
    Ru2A Ru1A Ru3A C51A . . . . -5.1(4) ?
    C45A Ru1A Ru3A C52A . . . . 88.5(3) ?
    C46A Ru1A Ru3A C52A . . . . -8.1(3) ?
    C44A Ru1A Ru3A C52A . . . . 176.8(2) ?
    As1A Ru1A Ru3A C52A . . . . -88.78(18) ?
    Ru2A Ru1A Ru3A C52A . . . . -90.23(18) ?
    C45A Ru1A Ru3A C50A . . . . -92.5(3) ?
    C46A Ru1A Ru3A C50A . . . . 171.0(3) ?
    C44A Ru1A Ru3A C50A . . . . -4.1(2) ?
    As1A Ru1A Ru3A C50A . . . . 90.30(17) ?
    Ru2A Ru1A Ru3A C50A . . . . 88.84(17) ?
    C45A Ru1A Ru3A P1A . . . . -0.3(2) ?
    C46A Ru1A Ru3A P1A . . . . -96.8(2) ?
    C44A Ru1A Ru3A P1A . . . . 88.10(17) ?
    As1A Ru1A Ru3A P1A . . . . -177.51(6) ?
    Ru2A Ru1A Ru3A P1A . . . . -178.96(4) ?
    C45A Ru1A Ru3A Ru2A . . . . 178.70(19) ?
    C46A Ru1A Ru3A Ru2A . . . . 82.1(2) ?
    C44A Ru1A Ru3A Ru2A . . . . -92.94(16) ?
    As1A Ru1A Ru3A Ru2A . . . . 1.45(5) ?
    C45A Ru1A As1A C7A . . . . 81.1(3) ?
    C46A Ru1A As1A C7A . . . . 177.0(3) ?
    C44A Ru1A As1A C7A . . . . -8.6(3) ?
    Ru3A Ru1A As1A C7A . . . . -101.6(2) ?
    Ru2A Ru1A As1A C7A . . . . -100.4(2) ?
    C45A Ru1A As1A C13A . . . . -152.3(3) ?
    C46A Ru1A As1A C13A . . . . -56.4(3) ?
    C44A Ru1A As1A C13A . . . . 118.0(2) ?
    Ru3A Ru1A As1A C13A . . . . 24.9(2) ?
    Ru2A Ru1A As1A C13A . . . . 26.17(19) ?
    C45A Ru1A As1A C1A . . . . -39.6(3) ?
    C46A Ru1A As1A C1A . . . . 56.3(3) ?
    C44A Ru1A As1A C1A . . . . -129.3(2) ?
    Ru3A Ru1A As1A C1A . . . . 137.67(19) ?
    Ru2A Ru1A As1A C1A . . . . 138.92(19) ?
    C48A Ru2A As2A C14A . . . . -59.7(3) ?
    C49A Ru2A As2A C14A . . . . 32.1(3) ?
    C47A Ru2A As2A C14A . . . . -148.7(3) ?
    Ru3A Ru2A As2A C14A . . . . 134.68(19) ?
    Ru1A Ru2A As2A C14A . . . . 116.88(19) ?
    C48A Ru2A As2A C20A . . . . 57.3(3) ?
    C49A Ru2A As2A C20A . . . . 149.1(2) ?
    C47A Ru2A As2A C20A . . . . -31.6(3) ?
    Ru3A Ru2A As2A C20A . . . . -108.28(19) ?
    Ru1A Ru2A As2A C20A . . . . -126.09(18) ?
    C48A Ru2A As2A C13A . . . . 173.3(3) ?
    C49A Ru2A As2A C13A . . . . -95.0(3) ?
    C47A Ru2A As2A C13A . . . . 84.3(3) ?
    Ru3A Ru2A As2A C13A . . . . 7.65(19) ?
    Ru1A Ru2A As2A C13A . . . . -10.16(18) ?
    C51A Ru3A P1A C26A . . . . 11.5(3) ?
    C52A Ru3A P1A C26A . . . . 101.3(3) ?
    C50A Ru3A P1A C26A . . . . -81.0(3) ?
    Ru1A Ru3A P1A C26A . . . . -171.44(19) ?
    C51A Ru3A P1A C32A . . . . 128.7(3) ?
    C52A Ru3A P1A C32A . . . . -141.4(3) ?
    C50A Ru3A P1A C32A . . . . 36.2(3) ?
    Ru1A Ru3A P1A C32A . . . . -54.2(2) ?
    C51A Ru3A P1A C38A . . . . -106.2(3) ?
    C52A Ru3A P1A C38A . . . . -16.3(3) ?
    C50A Ru3A P1A C38A . . . . 161.3(3) ?
    Ru1A Ru3A P1A C38A . . . . 70.9(2) ?
    C7A As1A C1A C2A . . . . 50.1(5) ?
    C13A As1A C1A C2A . . . . -58.5(5) ?
    Ru1A As1A C1A C2A . . . . 179.5(4) ?
    C7A As1A C1A C6A . . . . -132.6(5) ?
    C13A As1A C1A C6A . . . . 118.8(5) ?
    Ru1A As1A C1A C6A . . . . -3.2(5) ?
    C6A C1A C2A C3A . . . . 0.9(9) ?
    As1A C1A C2A C3A . . . . 178.2(4) ?
    C1A C2A C3A C4A . . . . 0.1(9) ?
    C2A C3A C4A C5A . . . . -1.4(10) ?
    C3A C4A C5A C6A . . . . 1.7(10) ?
    C2A C1A C6A C5A . . . . -0.6(9) ?
    As1A C1A C6A C5A . . . . -177.8(4) ?
    C4A C5A C6A C1A . . . . -0.7(9) ?
    C13A As1A C7A C12A . . . . -177.3(4) ?
    C1A As1A C7A C12A . . . . 82.6(5) ?
    Ru1A As1A C7A C12A . . . . -47.4(5) ?
    C13A As1A C7A C8A . . . . 4.6(5) ?
    C1A As1A C7A C8A . . . . -95.5(5) ?
    Ru1A As1A C7A C8A . . . . 134.5(4) ?
    C12A C7A C8A C9A . . . . -1.3(9) ?
    As1A C7A C8A C9A . . . . 176.7(5) ?
    C7A C8A C9A C10A . . . . 0.6(11) ?
    C8A C9A C10A C11A . . . . 0.2(11) ?
    C9A C10A C11A C12A . . . . -0.4(10) ?
    C8A C7A C12A C11A . . . . 1.2(9) ?
    As1A C7A C12A C11A . . . . -177.0(5) ?
    C10A C11A C12A C7A . . . . -0.3(9) ?
    C7A As1A C13A As2A . . . . 93.7(3) ?
    C1A As1A C13A As2A . . . . -163.8(3) ?
    Ru1A As1A C13A As2A . . . . -38.3(3) ?
    C14A As2A C13A As1A . . . . -105.4(3) ?
    C20A As2A C13A As1A . . . . 153.2(3) ?
    Ru2A As2A C13A As1A . . . . 30.0(3) ?
    C20A As2A C14A C15A . . . . -97.4(5) ?
    C13A As2A C14A C15A . . . . 158.3(4) ?
    Ru2A As2A C14A C15A . . . . 27.5(5) ?
    C20A As2A C14A C19A . . . . 74.3(5) ?
    C13A As2A C14A C19A . . . . -30.0(5) ?
    Ru2A As2A C14A C19A . . . . -160.8(4) ?
    C19A C14A C15A C16A . . . . -1.3(9) ?
    As2A C14A C15A C16A . . . . 170.5(4) ?
    C14A C15A C16A C17A . . . . 0.5(9) ?
    C15A C16A C17A C18A . . . . 0.8(9) ?
    C16A C17A C18A C19A . . . . -1.4(9) ?
    C17A C18A C19A C14A . . . . 0.6(9) ?
    C15A C14A C19A C18A . . . . 0.8(9) ?
    As2A C14A C19A C18A . . . . -170.6(4) ?
    C14A As2A C20A C25A . . . . -83.7(5) ?
    C13A As2A C20A C25A . . . . 23.4(5) ?
    Ru2A As2A C20A C25A . . . . 146.1(5) ?
    C14A As2A C20A C21A . . . . 93.6(4) ?
    C13A As2A C20A C21A . . . . -159.3(4) ?
    Ru2A As2A C20A C21A . . . . -36.6(5) ?
    C25A C20A C21A C22A . . . . -1.8(9) ?
    As2A C20A C21A C22A . . . . -179.2(5) ?
    C20A C21A C22A C23A . . . . -0.1(10) ?
    C21A C22A C23A C24A . . . . 2.4(11) ?
    C22A C23A C24A C25A . . . . -2.8(11) ?
    C21A C20A C25A C24A . . . . 1.4(9) ?
    As2A C20A C25A C24A . . . . 178.6(5) ?
    C23A C24A C25A C20A . . . . 0.9(10) ?
    C32A P1A C26A C31A . . . . -41.0(5) ?
    C38A P1A C26A C31A . . . . -144.9(5) ?
    Ru3A P1A C26A C31A . . . . 88.5(4) ?
    C32A P1A C26A C27A . . . . 151.6(5) ?
    C38A P1A C26A C27A . . . . 47.7(5) ?
    Ru3A P1A C26A C27A . . . . -78.9(5) ?
    C31A C26A C27A C28A . . . . 1.7(9) ?
    P1A C26A C27A C28A . . . . 169.5(5) ?
    C26A C27A C28A C29A . . . . -1.2(9) ?
    C27A C28A C29A C30A . . . . 1.0(9) ?
    C27A C28A C29A Cl1A . . . . -179.5(5) ?
    C28A C29A C30A C31A . . . . -1.3(9) ?
    Cl1A C29A C30A C31A . . . . 179.2(5) ?
    C27A C26A C31A C30A . . . . -2.0(8) ?
    P1A C26A C31A C30A . . . . -169.8(4) ?
    C29A C30A C31A C26A . . . . 1.8(9) ?
    C26A P1A C32A C33A . . . . 126.7(5) ?
    C38A P1A C32A C33A . . . . -126.3(5) ?
    Ru3A P1A C32A C33A . . . . 6.7(6) ?
    C26A P1A C32A C37A . . . . -52.8(5) ?
    C38A P1A C32A C37A . . . . 54.1(5) ?
    Ru3A P1A C32A C37A . . . . -172.9(4) ?
    C37A C32A C33A C34A . . . . 3.1(9) ?
    P1A C32A C33A C34A . . . . -176.5(5) ?
    C32A C33A C34A C35A . . . . -2.6(9) ?
    C33A C34A C35A C36A . . . . 0.9(10) ?
    C33A C34A C35A Cl2A . . . . 178.6(5) ?
    C34A C35A C36A C37A . . . . 0.2(9) ?
    Cl2A C35A C36A C37A . . . . -177.5(5) ?
    C35A C36A C37A C32A . . . . 0.3(9) ?
    C33A C32A C37A C36A . . . . -1.9(8) ?
    P1A C32A C37A C36A . . . . 177.7(4) ?
    C26A P1A C38A C39A . . . . 24.5(5) ?
    C32A P1A C38A C39A . . . . -80.8(5) ?
    Ru3A P1A C38A C39A . . . . 144.1(4) ?
    C26A P1A C38A C43A . . . . -157.9(4) ?
    C32A P1A C38A C43A . . . . 96.9(5) ?
    Ru3A P1A C38A C43A . . . . -38.2(5) ?
    C43A C38A C39A C40A . . . . 0.5(8) ?
    P1A C38A C39A C40A . . . . 178.1(4) ?
    C38A C39A C40A C41A . . . . 1.3(9) ?
    C39A C40A C41A C42A . . . . -2.3(9) ?
    C39A C40A C41A Cl3A . . . . 175.5(4) ?
    C40A C41A C42A C43A . . . . 1.5(9) ?
    Cl3A C41A C42A C43A . . . . -176.4(5) ?
    C41A C42A C43A C38A . . . . 0.4(9) ?
    C39A C38A C43A C42A . . . . -1.3(8) ?
    P1A C38A C43A C42A . . . . -179.1(5) ?
    C45B Ru1B Ru2B C48B . . . . -9.0(11) ?
    C46B Ru1B Ru2B C48B . . . . 74.6(7) ?
    C44B Ru1B Ru2B C48B . . . . -104.7(7) ?
    As1B Ru1B Ru2B C48B . . . . 170.4(6) ?
    Ru3B Ru1B Ru2B C48B . . . . -6.1(6) ?
    C45B Ru1B Ru2B C49B . . . . 80.3(9) ?
    C46B Ru1B Ru2B C49B . . . . 163.9(2) ?
    C44B Ru1B Ru2B C49B . . . . -15.4(2) ?
    As1B Ru1B Ru2B C49B . . . . -100.25(17) ?
    Ru3B Ru1B Ru2B C49B . . . . 83.21(17) ?
    C45B Ru1B Ru2B C47B . . . . -96.9(9) ?
    C46B Ru1B Ru2B C47B . . . . -13.3(2) ?
    C44B Ru1B Ru2B C47B . . . . 167.4(2) ?
    As1B Ru1B Ru2B C47B . . . . 82.56(17) ?
    Ru3B Ru1B Ru2B C47B . . . . -93.99(17) ?
    C45B Ru1B Ru2B As2B . . . . 170.7(9) ?
    C46B Ru1B Ru2B As2B . . . . -105.72(18) ?
    C44B Ru1B Ru2B As2B . . . . 75.03(17) ?
    As1B Ru1B Ru2B As2B . . . . -9.85(2) ?
    Ru3B Ru1B Ru2B As2B . . . . 173.60(2) ?
    C45B Ru1B Ru2B Ru3B . . . . -2.9(9) ?
    C46B Ru1B Ru2B Ru3B . . . . 80.67(17) ?
    C44B Ru1B Ru2B Ru3B . . . . -98.57(17) ?
    As1B Ru1B Ru2B Ru3B . . . . 176.54(2) ?
    C48B Ru2B Ru3B C51B . . . . -15.2(3) ?
    C49B Ru2B Ru3B C51B . . . . 73.5(2) ?
    C47B Ru2B Ru3B C51B . . . . -108.9(2) ?
    As2B Ru2B Ru3B C51B . . . . 150.70(18) ?
    Ru1B Ru2B Ru3B C51B . . . . 166.79(17) ?
    C48B Ru2B Ru3B C50B . . . . -109.9(3) ?
    C49B Ru2B Ru3B C50B . . . . -21.2(2) ?
    C47B Ru2B Ru3B C50B . . . . 156.4(2) ?
    As2B Ru2B Ru3B C50B . . . . 56.00(18) ?
    Ru1B Ru2B Ru3B C50B . . . . 72.08(17) ?
    C48B Ru2B Ru3B C52B . . . . 82.7(3) ?
    C49B Ru2B Ru3B C52B . . . . 171.5(2) ?
    C47B Ru2B Ru3B C52B . . . . -11.0(2) ?
    As2B Ru2B Ru3B C52B . . . . -111.34(18) ?
    Ru1B Ru2B Ru3B C52B . . . . -95.25(17) ?
    C48B Ru2B Ru3B Ru1B . . . . 178.0(2) ?
    C49B Ru2B Ru3B Ru1B . . . . -93.27(18) ?
    C47B Ru2B Ru3B Ru1B . . . . 84.28(18) ?
    As2B Ru2B Ru3B Ru1B . . . . -16.08(6) ?
    C45B Ru1B Ru3B C51B . . . . 156.8(4) ?
    C46B Ru1B Ru3B C51B . . . . -117.5(3) ?
    C44B Ru1B Ru3B C51B . . . . 60.2(3) ?
    As1B Ru1B Ru3B C51B . . . . -29.6(3) ?
    Ru2B Ru1B Ru3B C51B . . . . -22.5(3) ?
    C45B Ru1B Ru3B C50B . . . . 76.7(3) ?
    C46B Ru1B Ru3B C50B . . . . 162.4(3) ?
    C44B Ru1B Ru3B C50B . . . . -19.9(3) ?
    As1B Ru1B Ru3B C50B . . . . -109.69(18) ?
    Ru2B Ru1B Ru3B C50B . . . . -102.62(18) ?
    C45B Ru1B Ru3B C52B . . . . -94.3(3) ?
    C46B Ru1B Ru3B C52B . . . . -8.6(2) ?
    C44B Ru1B Ru3B C52B . . . . 169.1(3) ?
    As1B Ru1B Ru3B C52B . . . . 79.31(18) ?
    Ru2B Ru1B Ru3B C52B . . . . 86.38(17) ?
    C45B Ru1B Ru3B P1B . . . . -4.4(2) ?
    C46B Ru1B Ru3B P1B . . . . 81.30(19) ?
    C44B Ru1B Ru3B P1B . . . . -101.02(19) ?
    As1B Ru1B Ru3B P1B . . . . 169.22(6) ?
    Ru2B Ru1B Ru3B P1B . . . . 176.29(5) ?
    C45B Ru1B Ru3B Ru2B . . . . 179.3(2) ?
    C46B Ru1B Ru3B Ru2B . . . . -94.99(18) ?
    C44B Ru1B Ru3B Ru2B . . . . 82.69(18) ?
    As1B Ru1B Ru3B Ru2B . . . . -7.08(5) ?
    C45B Ru1B As1B C7B . . . . 79.3(3) ?
    C46B Ru1B As1B C7B . . . . -10.2(3) ?
    C44B Ru1B As1B C7B . . . . 173.0(3) ?
    Ru2B Ru1B As1B C7B . . . . -100.5(2) ?
    Ru3B Ru1B As1B C7B . . . . -94.5(2) ?
    C45B Ru1B As1B C1B . . . . -40.5(3) ?
    C46B Ru1B As1B C1B . . . . -130.0(3) ?
    C44B Ru1B As1B C1B . . . . 53.1(3) ?
    Ru2B Ru1B As1B C1B . . . . 139.59(18) ?
    Ru3B Ru1B As1B C1B . . . . 145.64(18) ?
    C45B Ru1B As1B C13B . . . . -152.7(3) ?
    C46B Ru1B As1B C13B . . . . 117.8(2) ?
    C44B Ru1B As1B C13B . . . . -59.1(3) ?
    Ru2B Ru1B As1B C13B . . . . 27.43(17) ?
    Ru3B Ru1B As1B C13B . . . . 33.47(18) ?
    C48B Ru2B As2B C14B . . . . 55.3(3) ?
    C49B Ru2B As2B C14B . . . . -34.6(2) ?
    C47B Ru2B As2B C14B . . . . 149.4(3) ?
    Ru3B Ru2B As2B C14B . . . . -110.52(19) ?
    Ru1B Ru2B As2B C14B . . . . -124.63(18) ?
    C48B Ru2B As2B C20B . . . . -63.5(3) ?
    C49B Ru2B As2B C20B . . . . -153.4(3) ?
    C47B Ru2B As2B C20B . . . . 30.6(3) ?
    Ru3B Ru2B As2B C20B . . . . 130.70(19) ?
    Ru1B Ru2B As2B C20B . . . . 116.59(18) ?
    C48B Ru2B As2B C13B . . . . 171.7(3) ?
    C49B Ru2B As2B C13B . . . . 81.8(2) ?
    C47B Ru2B As2B C13B . . . . -94.2(3) ?
    Ru3B Ru2B As2B C13B . . . . 5.88(19) ?
    Ru1B Ru2B As2B C13B . . . . -8.23(18) ?
    C51B Ru3B P1B C26B . . . . 142.9(3) ?
    C50B Ru3B P1B C26B . . . . -122.2(3) ?
    C52B Ru3B P1B C26B . . . . 45.2(3) ?
    Ru1B Ru3B P1B C26B . . . . -48.2(2) ?
    C51B Ru3B P1B C32B . . . . -95.3(3) ?
    C50B Ru3B P1B C32B . . . . -0.4(3) ?
    C52B Ru3B P1B C32B . . . . 167.0(3) ?
    Ru1B Ru3B P1B C32B . . . . 73.6(2) ?
    C51B Ru3B P1B C38B . . . . 21.9(3) ?
    C50B Ru3B P1B C38B . . . . 116.8(3) ?
    C52B Ru3B P1B C38B . . . . -75.7(3) ?
    Ru1B Ru3B P1B C38B . . . . -169.19(19) ?
    C7B As1B C1B C6B . . . . -129.5(5) ?
    C13B As1B C1B C6B . . . . 122.5(5) ?
    Ru1B As1B C1B C6B . . . . 1.0(5) ?
    C7B As1B C1B C2B . . . . 52.3(5) ?
    C13B As1B C1B C2B . . . . -55.8(5) ?
    Ru1B As1B C1B C2B . . . . -177.3(4) ?
    C6B C1B C2B C3B . . . . -0.5(9) ?
    As1B C1B C2B C3B . . . . 177.8(5) ?
    C1B C2B C3B C4B . . . . 1.3(10) ?
    C2B C3B C4B C5B . . . . -0.8(10) ?
    C3B C4B C5B C6B . . . . -0.4(10) ?
    C4B C5B C6B C1B . . . . 1.2(9) ?
    C2B C1B C6B C5B . . . . -0.8(9) ?
    As1B C1B C6B C5B . . . . -179.0(5) ?
    C1B As1B C7B C8B . . . . -86.9(6) ?
    C13B As1B C7B C8B . . . . 13.5(6) ?
    Ru1B As1B C7B C8B . . . . 144.9(5) ?
    C1B As1B C7B C12B . . . . 87.0(5) ?
    C13B As1B C7B C12B . . . . -172.5(4) ?
    Ru1B As1B C7B C12B . . . . -41.2(5) ?
    C12B C7B C8B C9B . . . . 0.7(10) ?
    As1B C7B C8B C9B . . . . 174.5(5) ?
    C7B C8B C9B C10B . . . . -1.3(11) ?
    C8B C9B C10B C11B . . . . 1.3(11) ?
    C9B C10B C11B C12B . . . . -0.5(11) ?
    C10B C11B C12B C7B . . . . -0.2(10) ?
    C8B C7B C12B C11B . . . . 0.1(9) ?
    As1B C7B C12B C11B . . . . -174.1(5) ?
    C14B As2B C13B As1B . . . . 151.6(3) ?
    C20B As2B C13B As1B . . . . -105.2(3) ?
    Ru2B As2B C13B As1B . . . . 28.5(3) ?
    C7B As1B C13B As2B . . . . 96.1(3) ?
    C1B As1B C13B As2B . . . . -161.9(3) ?
    Ru1B As1B C13B As2B . . . . -38.5(3) ?
    C20B As2B C14B C15B . . . . -74.7(5) ?
    C13B As2B C14B C15B . . . . 31.6(5) ?
    Ru2B As2B C14B C15B . . . . 154.9(4) ?
    C20B As2B C14B C19B . . . . 102.2(5) ?
    C13B As2B C14B C19B . . . . -151.4(4) ?
    Ru2B As2B C14B C19B . . . . -28.2(5) ?
    C19B C14B C15B C16B . . . . -0.9(9) ?
    As2B C14B C15B C16B . . . . 176.0(5) ?
    C14B C15B C16B C17B . . . . 3.4(9) ?
    C15B C16B C17B C18B . . . . -3.0(10) ?
    C16B C17B C18B C19B . . . . 0.1(10) ?
    C15B C14B C19B C18B . . . . -2.0(9) ?
    As2B C14B C19B C18B . . . . -179.0(5) ?
    C17B C18B C19B C14B . . . . 2.4(9) ?
    C14B As2B C20B C21B . . . . -97.5(4) ?
    C13B As2B C20B C21B . . . . 157.5(4) ?
    Ru2B As2B C20B C21B . . . . 28.0(5) ?
    C14B As2B C20B C25B . . . . 73.5(5) ?
    C13B As2B C20B C25B . . . . -31.5(5) ?
    Ru2B As2B C20B C25B . . . . -161.0(4) ?
    C25B C20B C21B C22B . . . . 0.1(8) ?
    As2B C20B C21B C22B . . . . 171.3(4) ?
    C20B C21B C22B C23B . . . . -1.4(9) ?
    C21B C22B C23B C24B . . . . 3.7(10) ?
    C22B C23B C24B C25B . . . . -4.8(9) ?
    C23B C24B C25B C20B . . . . 3.4(9) ?
    C21B C20B C25B C24B . . . . -1.1(8) ?
    As2B C20B C25B C24B . . . . -171.9(4) ?
    C32B P1B C26B C27B . . . . 110.3(5) ?
    C38B P1B C26B C27B . . . . 2.3(6) ?
    Ru3B P1B C26B C27B . . . . -123.0(5) ?
    C32B P1B C26B C31B . . . . -70.8(5) ?
    C38B P1B C26B C31B . . . . -178.8(5) ?
    Ru3B P1B C26B C31B . . . . 55.9(5) ?
    C31B C26B C27B C28B . . . . 1.7(9) ?
    P1B C26B C27B C28B . . . . -179.4(5) ?
    C26B C27B C28B C29B . . . . 1.0(10) ?
    C27B C28B C29B C30B . . . . -3.1(10) ?
    C27B C28B C29B Cl1B . . . . 175.4(5) ?
    C28B C29B C30B C31B . . . . 2.3(10) ?
    Cl1B C29B C30B C31B . . . . -176.2(5) ?
    C29B C30B C31B C26B . . . . 0.6(10) ?
    C27B C26B C31B C30B . . . . -2.5(10) ?
    P1B C26B C31B C30B . . . . 178.5(5) ?
    C26B P1B C32B C33B . . . . 24.8(6) ?
    C38B P1B C32B C33B . . . . 134.0(6) ?
    Ru3B P1B C32B C33B . . . . -103.2(6) ?
    C26B P1B C32B C37B . . . . -162.7(4) ?
    C38B P1B C32B C37B . . . . -53.5(5) ?
    Ru3B P1B C32B C37B . . . . 69.3(5) ?
    C37B C32B C33B C34B . . . . 0.9(10) ?
    P1B C32B C33B C34B . . . . 173.5(6) ?
    C32B C33B C34B C35B . . . . -2.0(12) ?
    C33B C34B C35B C36B . . . . 1.7(12) ?
    C33B C34B C35B Cl2B . . . . -177.6(6) ?
    C34B C35B C36B C37B . . . . -0.5(10) ?
    Cl2B C35B C36B C37B . . . . 178.9(5) ?
    C35B C36B C37B C32B . . . . -0.5(9) ?
    C33B C32B C37B C36B . . . . 0.3(9) ?
    P1B C32B C37B C36B . . . . -172.8(5) ?
    C26B P1B C38B C39B . . . . 89.1(6) ?
    C32B P1B C38B C39B . . . . -20.0(6) ?
    Ru3B P1B C38B C39B . . . . -143.6(5) ?
    C26B P1B C38B C43B . . . . -95.6(5) ?
    C32B P1B C38B C43B . . . . 155.3(5) ?
    Ru3B P1B C38B C43B . . . . 31.8(5) ?
    C43B C38B C39B C40B . . . . -5.8(10) ?
    P1B C38B C39B C40B . . . . 169.7(5) ?
    C38B C39B C40B C41B . . . . 1.6(11) ?
    C39B C40B C41B C42B . . . . 4.5(10) ?
    C39B C40B C41B Cl3B . . . . -176.5(5) ?
    C40B C41B C42B C43B . . . . -6.0(10) ?
    Cl3B C41B C42B C43B . . . . 174.9(5) ?
    C41B C42B C43B C38B . . . . 1.6(9) ?
    C39B C38B C43B C42B . . . . 4.1(9) ?
    P1B C38B C43B C42B . . . . -171.6(5) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    C5B H5BA O4B 4_655 0.9300 2.5300 3.293(8) 139.00 yes
    C23B H23B Cl1B 2_764 0.9300 2.8100 3.566(7) 139.00 yes
    C40B H40B O3A 2_764 0.9300 2.4900 3.047(8) 119.00 yes
    C4A H4AA Cg1 2_774 0.9300 2.8600 3.560(7) 133.00 y
    C4B H4BA Cg2 2_665 0.9300 2.6800 3.314(7) 126.00 y
    C16A H16A Cg3 3_655 0.9300 2.8500 3.629(7) 142.00 y
    C16B H16B Cg2 4_465 0.9300 2.9400 3.591(7) 128.00 y
    C24A H24A Cg1 4_575 0.9300 2.9000 3.582(7) 131.00 y
