# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_RGP258B01
_database_code_depnum_ccdc_archive 'CCDC 1994837'
loop_
_audit_author_name
_audit_author_address
'Robert Gericke'
;Technische Universitat Bergakademie Freiberg
Germany
;
_audit_update_record             
;
2020-04-04 deposited with the CCDC.	2020-07-03 downloaded from the CCDC.
;




_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H19 N O P, Cl'
_chemical_formula_sum            'C23 H19 Cl N O P'
_chemical_formula_weight         391.81

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'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      hexagonal
_space_group_IT_number           169
_space_group_name_H-M_alt        'P 61'
_space_group_name_Hall           'P 61'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x-y, z+1/3'
'y, -x+y, z+5/6'
'-x+y, -x, z+2/3'
'x-y, x, z+1/6'

_cell_length_a                   9.3905(2)
_cell_length_b                   9.3905(2)
_cell_length_c                   40.1802(17)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     3068.46(18)
_cell_formula_units_Z            6
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    29713
_cell_measurement_theta_min      2.50
_cell_measurement_theta_max      26.18

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_F_000             1224
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.250
_exptl_absorpt_coefficient_mu    0.277
_shelx_estimated_absorpt_T_min   0.874
_shelx_estimated_absorpt_T_max   0.934
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.8731
_exptl_absorpt_correction_T_max  0.9643
_exptl_absorpt_process_details   XShape


_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Stoe IPDS-2T'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10175
_diffrn_reflns_av_unetI/netI     0.0249
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_theta_min         2.702
_diffrn_reflns_theta_max         25.995
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_point_group_measured_fraction_full 0.954
_reflns_number_total             3833
_reflns_number_gt                3630
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.884
_reflns_Friedel_fraction_max     0.907
_reflns_Friedel_fraction_full    0.912

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'ORTEP32 (Farugia)'
_computing_publication_material  'Ciftab (Sheldrick)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0260P)²+1.2307P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;
 Flack x determined using 1573 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.06(5)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3833
_refine_ls_number_parameters     244
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0362
_refine_ls_R_factor_gt           0.0325
_refine_ls_wR_factor_ref         0.0806
_refine_ls_wR_factor_gt          0.0761
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.35793(10) 0.29760(13) 0.09561(3) 0.0544(2) Uani 1 1 d . . . . .
P1 P 0.65249(10) 0.01298(10) 0.01634(2) 0.03763(19) Uani 1 1 d . . . . .
N1 N 0.6606(3) 0.1136(4) 0.08453(8) 0.0447(7) Uani 1 1 d . . . . .
O1 O 0.7845(3) 0.0393(3) 0.04390(6) 0.0460(6) Uani 1 1 d . . . . .
C1 C 0.7954(4) 0.1187(4) 0.07429(9) 0.0375(7) Uani 1 1 d . . . . .
C2 C 0.9465(4) 0.1945(4) 0.08990(10) 0.0444(8) Uani 1 1 d . . . . .
H2 H 1.039835 0.195203 0.080556 0.053 Uiso 1 1 calc R U . . .
C3 C 0.9535(5) 0.2681(5) 0.11954(11) 0.0538(9) Uani 1 1 d . . . . .
H3 H 1.052925 0.319759 0.131953 0.065 Uiso 1 1 calc R U . . .
C4 C 0.8133(5) 0.2669(5) 0.13153(10) 0.0548(10) Uani 1 1 d . . . . .
H4 H 0.816643 0.318702 0.152053 0.066 Uiso 1 1 calc R U . . .
C5 C 0.6719(5) 0.1907(5) 0.11352(10) 0.0505(9) Uani 1 1 d . . . . .
H5 H 0.577556 0.191894 0.121683 0.061 Uiso 1 1 calc R U . . .
C6 C 0.6550(4) 0.1997(4) 0.00646(9) 0.0376(7) Uani 1 1 d . . . . .
C7 C 0.5630(4) 0.2511(4) 0.02490(9) 0.0411(8) Uani 1 1 d . . . . .
H7 H 0.494287 0.184974 0.042516 0.049 Uiso 1 1 calc R U . . .
C8 C 0.5728(4) 0.3998(4) 0.01724(10) 0.0459(8) Uani 1 1 d . . . . .
H8 H 0.510949 0.436173 0.029705 0.055 Uiso 1 1 calc R U . . .
C9 C 0.6730(5) 0.4957(4) -0.00865(11) 0.0506(9) Uani 1 1 d . . . . .
H9 H 0.678167 0.596713 -0.013957 0.061 Uiso 1 1 calc R U . . .
C10 C 0.7651(5) 0.4457(4) -0.02674(10) 0.0510(9) Uani 1 1 d . . . . .
H10 H 0.834091 0.512774 -0.044230 0.061 Uiso 1 1 calc R U . . .
C11 C 0.7572(4) 0.2978(4) -0.01942(10) 0.0449(8) Uani 1 1 d . . . . .
H11 H 0.820496 0.263089 -0.031845 0.054 Uiso 1 1 calc R U . . .
C12 C 0.7269(4) -0.0534(4) -0.01796(9) 0.0416(8) Uani 1 1 d . . . . .
C13 C 0.6321(5) -0.1073(5) -0.04644(10) 0.0517(9) Uani 1 1 d . . . . .
H13 H 0.530826 -0.107811 -0.047730 0.062 Uiso 1 1 calc R U . . .
C14 C 0.6874(6) -0.1611(5) -0.07336(11) 0.0610(10) Uani 1 1 d . . . . .
H14 H 0.623194 -0.199670 -0.093062 0.073 Uiso 1 1 calc R U . . .
C15 C 0.8357(5) -0.1576(5) -0.07113(11) 0.0592(11) Uani 1 1 d . . . . .
H15 H 0.873708 -0.193122 -0.089512 0.071 Uiso 1 1 calc R U . . .
C16 C 0.9285(5) -0.1042(5) -0.04296(12) 0.0557(10) Uani 1 1 d . . . . .
H16 H 1.029960 -0.103367 -0.041852 0.067 Uiso 1 1 calc R U . . .
C17 C 0.8764(4) -0.0513(4) -0.01604(11) 0.0491(9) Uani 1 1 d . . . . .
H17 H 0.941364 -0.013882 0.003572 0.059 Uiso 1 1 calc R U . . .
C18 C 0.4529(4) -0.1466(4) 0.02824(8) 0.0375(7) Uani 1 1 d . . . . .
C19 C 0.4382(5) -0.2695(4) 0.04974(10) 0.0462(8) Uani 1 1 d . . . . .
H19 H 0.533577 -0.264706 0.058980 0.055 Uiso 1 1 calc R U . . .
C20 C 0.2832(5) -0.3990(4) 0.05759(11) 0.0546(9) Uani 1 1 d . . . . .
H20 H 0.272203 -0.483165 0.072298 0.065 Uiso 1 1 calc R U . . .
C21 C 0.1448(5) -0.4055(5) 0.04395(11) 0.0573(10) Uani 1 1 d . . . . .
H21 H 0.038759 -0.493607 0.049544 0.069 Uiso 1 1 calc R U . . .
C22 C 0.1597(4) -0.2850(4) 0.02235(10) 0.0503(9) Uani 1 1 d . . . . .
H22 H 0.063753 -0.291664 0.012933 0.060 Uiso 1 1 calc R U . . .
C23 C 0.3133(4) -0.1538(4) 0.01413(9) 0.0419(7) Uani 1 1 d . . . . .
H23 H 0.323325 -0.070710 -0.000759 0.050 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
P1 O1 1.587(3) . ?
P1 C18 1.783(3) . ?
P1 C6 1.786(3) . ?
P1 C12 1.792(4) . ?
N1 C1 1.309(4) . ?
N1 C5 1.347(5) . ?
O1 C1 1.408(4) . ?
C1 C2 1.380(5) . ?
C2 C3 1.362(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.397(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.359(6) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.395(5) . ?
C6 C11 1.403(5) . ?
C7 C8 1.387(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.390(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.379(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.384(5) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C13 1.381(5) . ?
C12 C17 1.397(5) . ?
C13 C14 1.399(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.381(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.362(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.378(6) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.392(5) . ?
C18 C23 1.398(5) . ?
C19 C20 1.388(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.384(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.376(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.390(5) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?

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
O1 P1 C18 110.79(16) . . ?
O1 P1 C6 112.11(14) . . ?
C18 P1 C6 112.16(15) . . ?
O1 P1 C12 100.42(15) . . ?
C18 P1 C12 110.04(15) . . ?
C6 P1 C12 110.74(16) . . ?
C1 N1 C5 115.9(3) . . ?
C1 O1 P1 122.1(2) . . ?
N1 C1 C2 127.1(3) . . ?
N1 C1 O1 116.1(3) . . ?
C2 C1 O1 116.8(3) . . ?
C3 C2 C1 115.8(3) . . ?
C3 C2 H2 122.1 . . ?
C1 C2 H2 122.1 . . ?
C2 C3 C4 119.4(3) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C5 C4 C3 119.3(4) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
N1 C5 C4 122.5(4) . . ?
N1 C5 H5 118.8 . . ?
C4 C5 H5 118.8 . . ?
C7 C6 C11 120.3(3) . . ?
C7 C6 P1 121.0(3) . . ?
C11 C6 P1 118.6(3) . . ?
C8 C7 C6 119.3(3) . . ?
C8 C7 H7 120.3 . . ?
C6 C7 H7 120.3 . . ?
C7 C8 C9 120.0(4) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C10 C9 C8 120.7(3) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C9 C10 C11 120.1(4) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 C6 119.5(3) . . ?
C10 C11 H11 120.2 . . ?
C6 C11 H11 120.2 . . ?
C13 C12 C17 120.7(3) . . ?
C13 C12 P1 118.2(3) . . ?
C17 C12 P1 121.1(3) . . ?
C12 C13 C14 119.1(4) . . ?
C12 C13 H13 120.5 . . ?
C14 C13 H13 120.5 . . ?
C15 C14 C13 119.6(4) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C16 C15 C14 121.0(4) . . ?
C16 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
C15 C16 C17 120.5(4) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C16 C17 C12 119.2(4) . . ?
C16 C17 H17 120.4 . . ?
C12 C17 H17 120.4 . . ?
C19 C18 C23 120.6(3) . . ?
C19 C18 P1 119.4(3) . . ?
C23 C18 P1 119.9(3) . . ?
C20 C19 C18 119.6(4) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C21 C20 C19 119.9(4) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C22 C21 C20 120.4(4) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C21 C22 C23 120.8(4) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C22 C23 C18 118.6(3) . . ?
C22 C23 H23 120.7 . . ?
C18 C23 H23 120.7 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C18 P1 O1 C1 -74.7(3) . . . . ?
C6 P1 O1 C1 51.4(3) . . . . ?
C12 P1 O1 C1 169.0(3) . . . . ?
C5 N1 C1 C2 -0.2(5) . . . . ?
C5 N1 C1 O1 -179.6(3) . . . . ?
P1 O1 C1 N1 25.4(4) . . . . ?
P1 O1 C1 C2 -154.1(3) . . . . ?
N1 C1 C2 C3 1.7(6) . . . . ?
O1 C1 C2 C3 -178.9(3) . . . . ?
C1 C2 C3 C4 -1.8(6) . . . . ?
C2 C3 C4 C5 0.7(6) . . . . ?
C1 N1 C5 C4 -1.2(5) . . . . ?
C3 C4 C5 N1 0.9(6) . . . . ?
O1 P1 C6 C7 -86.6(3) . . . . ?
C18 P1 C6 C7 38.8(3) . . . . ?
C12 P1 C6 C7 162.2(3) . . . . ?
O1 P1 C6 C11 90.7(3) . . . . ?
C18 P1 C6 C11 -143.9(3) . . . . ?
C12 P1 C6 C11 -20.5(3) . . . . ?
C11 C6 C7 C8 0.4(5) . . . . ?
P1 C6 C7 C8 177.7(3) . . . . ?
C6 C7 C8 C9 0.3(5) . . . . ?
C7 C8 C9 C10 -0.8(6) . . . . ?
C8 C9 C10 C11 0.7(6) . . . . ?
C9 C10 C11 C6 0.0(6) . . . . ?
C7 C6 C11 C10 -0.5(5) . . . . ?
P1 C6 C11 C10 -177.8(3) . . . . ?
O1 P1 C12 C13 172.9(3) . . . . ?
C18 P1 C12 C13 56.1(3) . . . . ?
C6 P1 C12 C13 -68.5(3) . . . . ?
O1 P1 C12 C17 -6.9(3) . . . . ?
C18 P1 C12 C17 -123.8(3) . . . . ?
C6 P1 C12 C17 111.7(3) . . . . ?
C17 C12 C13 C14 0.5(6) . . . . ?
P1 C12 C13 C14 -179.4(3) . . . . ?
C12 C13 C14 C15 -0.7(6) . . . . ?
C13 C14 C15 C16 0.7(6) . . . . ?
C14 C15 C16 C17 -0.4(6) . . . . ?
C15 C16 C17 C12 0.1(6) . . . . ?
C13 C12 C17 C16 -0.2(5) . . . . ?
P1 C12 C17 C16 179.7(3) . . . . ?
O1 P1 C18 C19 -26.1(3) . . . . ?
C6 P1 C18 C19 -152.2(3) . . . . ?
C12 P1 C18 C19 84.1(3) . . . . ?
O1 P1 C18 C23 158.5(3) . . . . ?
C6 P1 C18 C23 32.4(3) . . . . ?
C12 P1 C18 C23 -91.4(3) . . . . ?
C23 C18 C19 C20 -0.9(5) . . . . ?
P1 C18 C19 C20 -176.3(3) . . . . ?
C18 C19 C20 C21 0.2(6) . . . . ?
C19 C20 C21 C22 0.7(6) . . . . ?
C20 C21 C22 C23 -0.8(6) . . . . ?
C21 C22 C23 C18 0.1(6) . . . . ?
C19 C18 C23 C22 0.8(5) . . . . ?
P1 C18 C23 C22 176.2(3) . . . . ?

_refine_diff_density_max         0.235
_refine_diff_density_min         -0.201
_refine_diff_density_rms         0.033

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_RGP09802
_database_code_depnum_ccdc_archive 'CCDC 1994838'
loop_
_audit_author_name
_audit_author_address
'Robert Gericke'
;Technische Universitat Bergakademie Freiberg
Germany
;
_audit_update_record             
;
2020-04-04 deposited with the CCDC.	2020-07-03 downloaded from the CCDC.
;





_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H12 As N3 O3'
_chemical_formula_sum            'C15 H12 As N3 O3'
_chemical_formula_weight         357.20

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'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_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'

_cell_length_a                   32.4502(12)
_cell_length_b                   7.2230(3)
_cell_length_c                   13.5042(5)
_cell_angle_alpha                90
_cell_angle_beta                 108.146(3)
_cell_angle_gamma                90
_cell_volume                     3007.8(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    16046
_cell_measurement_theta_min      1.32
_cell_measurement_theta_max      27.35

_exptl_crystal_description       polyeder
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_F_000             1440
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.300
_exptl_absorpt_coefficient_mu    2.276
_shelx_estimated_absorpt_T_min   0.463
_shelx_estimated_absorpt_T_max   0.548
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.5424
_exptl_absorpt_correction_T_max  0.6582
_exptl_absorpt_process_details   XShape

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Stoe IPDS-2T'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19975
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_av_R_equivalents  0.0428
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.321
_diffrn_reflns_theta_max         27.173
_diffrn_reflns_theta_full        27.173
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             3338
_reflns_number_gt                3005
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'ORTEP32 (Farugia)'
_computing_publication_material  'Ciftab (Sheldrick)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0127P)²+7.7496P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3338
_refine_ls_number_parameters     296
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0468
_refine_ls_wR_factor_ref         0.0954
_refine_ls_wR_factor_gt          0.0933
_refine_ls_goodness_of_fit_ref   1.256
_refine_ls_restrained_S_all      1.249
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.002

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
As1 As 0.11817(2) 0.03868(14) 0.26837(8) 0.03496(19) Uani 0.649(3) 1 d . . P A
1
O1 O 0.06482(10) 0.1062(5) 0.1857(2) 0.0455(8) Uani 0.649(3) 1 d . . P A 1
O2 O 0.13852(9) 0.0094(4) 0.1574(2) 0.0390(8) Uani 0.649(3) 1 d . . P A 1
O3 O 0.13506(10) 0.2811(4) 0.2779(2) 0.0380(7) Uani 0.649(3) 1 d . . P A 1
N1 N 0.05636(14) -0.2055(7) 0.1733(4) 0.0536(12) Uani 0.649(3) 1 d D . P A 1
C1 C 0.03827(14) -0.0422(7) 0.1595(4) 0.0408(12) Uani 0.649(3) 1 d D . P A 1
C2 C -0.00679(16) -0.0160(9) 0.1188(5) 0.0538(15) Uani 0.649(3) 1 d D . P A 1
H2 H -0.0193 0.1042 0.1112 0.065 Uiso 0.649(3) 1 calc R U P A 1
C3 C -0.03181(16) -0.1710(9) 0.0905(5) 0.0573(16) Uani 0.649(3) 1 d D . P A 1
H3 H -0.0623 -0.1597 0.0602 0.069 Uiso 0.649(3) 1 calc R U P A 1
C4 C -0.0126(2) -0.3458(10) 0.1060(6) 0.071(2) Uani 0.649(3) 1 d D . P A 1
H4 H -0.0299 -0.4541 0.0867 0.086 Uiso 0.649(3) 1 calc R U P A 1
C5 C 0.0320(2) -0.3592(9) 0.1501(6) 0.0688(18) Uani 0.649(3) 1 d D . P A 1
H5 H 0.0453 -0.4775 0.1639 0.083 Uiso 0.649(3) 1 calc R U P A 1
N2 N 0.20132(14) -0.0380(8) 0.2875(3) 0.0424(10) Uani 0.649(3) 1 d D . P A 1
C6 C 0.18124(15) -0.0324(8) 0.1861(4) 0.0379(12) Uani 0.649(3) 1 d D . P A 1
C7 C 0.20142(18) -0.0636(11) 0.1117(4) 0.0426(13) Uani 0.649(3) 1 d D . P A 1
H7 H 0.1858 -0.0621 0.0394 0.051 Uiso 0.649(3) 1 calc R U P A 1
C8 C 0.2463(2) -0.0976(14) 0.1480(5) 0.0517(17) Uani 0.649(3) 1 d D . P A 1
H8 H 0.2621 -0.1166 0.1002 0.062 Uiso 0.649(3) 1 calc R U P A 1
C9 C 0.26703(19) -0.1031(14) 0.2536(5) 0.0485(17) Uani 0.649(3) 1 d D . P A 1
H9 H 0.2973 -0.1270 0.2800 0.058 Uiso 0.649(3) 1 calc R U P A 1
C10 C 0.2438(2) -0.074(2) 0.3188(5) 0.0506(16) Uani 0.649(3) 1 d D . P A 1
H10 H 0.2585 -0.0796 0.3916 0.061 Uiso 0.649(3) 1 calc R U P A 1
N3 N 0.1136(3) 0.2733(9) 0.4196(6) 0.0421(13) Uani 0.649(3) 1 d D . P A 1
C11 C 0.1318(3) 0.3766(13) 0.3647(7) 0.0428(17) Uani 0.649(3) 1 d D . P A 1
C12 C 0.1473(3) 0.5612(11) 0.3978(5) 0.0520(18) Uani 0.649(3) 1 d D . P A 1
H12 H 0.1612 0.6359 0.3597 0.062 Uiso 0.649(3) 1 calc R U P A 1
C13 C 0.1406(2) 0.6210(8) 0.4873(5) 0.0512(17) Uani 0.649(3) 1 d D . P A 1
H13 H 0.1493 0.7422 0.5125 0.061 Uiso 0.649(3) 1 calc R U P A 1
C14 C 0.1215(2) 0.5070(9) 0.5408(4) 0.0464(14) Uani 0.649(3) 1 d D . P A 1
H14 H 0.1169 0.5474 0.6034 0.056 Uiso 0.649(3) 1 calc R U P A 1
C15 C 0.1091(3) 0.3323(9) 0.5023(6) 0.0454(15) Uani 0.649(3) 1 d D . P A 1
H15 H 0.0965 0.2527 0.5407 0.054 Uiso 0.649(3) 1 calc R U P A 1
As1B As 0.12023(5) 0.0925(3) 0.23861(13) 0.0355(3) Uani 0.351(3) 1 d . . P A 2
O1B O 0.09535(18) -0.1359(8) 0.2203(4) 0.0433(15) Uani 0.351(3) 1 d . . P A 2
O2B O 0.17305(18) -0.0055(8) 0.3099(4) 0.0372(13) Uani 0.351(3) 1 d . . P A 2
O3B O 0.10921(18) 0.1215(7) 0.3617(4) 0.0365(13) Uani 0.351(3) 1 d . . P A 2
N1B N 0.0340(2) 0.0413(9) 0.1602(8) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
C1B C 0.0499(2) -0.1261(10) 0.1706(12) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
C2B C 0.0241(3) -0.2846(11) 0.1376(9) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H2B H 0.0367 -0.4044 0.1416 0.051 Uiso 0.351(3) 1 calc R U P A 2
C3B C -0.0197(2) -0.2586(9) 0.0995(10) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H3B H -0.0386 -0.3624 0.0827 0.051 Uiso 0.351(3) 1 calc R U P A 2
C4B C -0.0367(2) -0.0798(11) 0.0852(8) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H4B H -0.0669 -0.0604 0.0539 0.051 Uiso 0.351(3) 1 calc R U P A 2
C5B C -0.0088(3) 0.0693(11) 0.1175(10) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H5B H -0.0200 0.1918 0.1094 0.051 Uiso 0.351(3) 1 calc R U P A 2
N2B N 0.1818(3) -0.0275(18) 0.1488(6) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
C6B C 0.2006(3) -0.035(2) 0.2508(5) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
C7B C 0.2442(4) -0.067(4) 0.2975(7) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H7B H 0.2565 -0.0747 0.3711 0.051 Uiso 0.351(3) 1 calc R U P A 2
C8B C 0.2697(3) -0.087(3) 0.2309(8) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H8B H 0.3003 -0.1006 0.2587 0.051 Uiso 0.351(3) 1 calc R U P A 2
C9B C 0.2497(3) -0.088(3) 0.1249(8) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H9B H 0.2659 -0.1105 0.0784 0.051 Uiso 0.351(3) 1 calc R U P A 2
C10B C 0.2069(3) -0.056(3) 0.0882(7) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H10B H 0.1936 -0.0527 0.0149 0.051 Uiso 0.351(3) 1 calc R U P A 2
N3B N 0.1375(6) 0.387(2) 0.3553(11) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
C11B C 0.1196(7) 0.2952(17) 0.4155(13) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
C12B C 0.1145(6) 0.3772(19) 0.5086(11) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H12B H 0.1017 0.3122 0.5527 0.051 Uiso 0.351(3) 1 calc R U P A 2
C13B C 0.1294(5) 0.5541(16) 0.5289(8) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H13B H 0.1280 0.6149 0.5902 0.051 Uiso 0.351(3) 1 calc R U P A 2
C14B C 0.1462(5) 0.6440(15) 0.4614(9) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H14B H 0.1567 0.7673 0.4750 0.051 Uiso 0.351(3) 1 calc R U P A 2
C15B C 0.1478(7) 0.553(2) 0.3733(11) 0.0421(9) Uani 0.351(3) 1 d D . P A 2
H15B H 0.1573 0.6191 0.3237 0.051 Uiso 0.351(3) 1 calc R U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
As1 O1 1.810(3) . ?
As1 O3 1.827(3) . ?
As1 O2 1.828(3) . ?
O1 C1 1.352(6) . ?
O2 C6 1.352(6) . ?
O3 C11 1.391(8) . ?
N1 C1 1.305(6) . ?
N1 C5 1.343(7) . ?
C1 C2 1.405(6) . ?
C2 C3 1.366(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.394(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(8) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
N2 C6 1.322(5) . ?
N2 C10 1.336(6) . ?
C6 C7 1.378(7) . ?
C7 C8 1.406(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.376(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.341(9) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
N3 C15 1.246(8) . ?
N3 C11 1.314(5) . ?
C11 C12 1.446(9) . ?
C12 C13 1.363(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.364(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.376(7) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
As1B O3B 1.818(5) . ?
As1B O1B 1.819(6) . ?
As1B O2B 1.827(6) . ?
O1B C1B 1.419(9) . ?
O2B C6B 1.387(10) . ?
O3B C11B 1.436(11) . ?
N1B C1B 1.305(6) . ?
N1B C5B 1.343(7) . ?
C1B C2B 1.406(6) . ?
C2B C3B 1.367(7) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.394(8) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.386(8) . ?
C4B H4B 0.9500 . ?
C5B H5B 0.9500 . ?
N2B C6B 1.322(5) . ?
N2B C10B 1.336(7) . ?
C6B C7B 1.378(7) . ?
C7B C8B 1.406(8) . ?
C7B H7B 0.9500 . ?
C8B C9B 1.376(5) . ?
C8B H8B 0.9500 . ?
C9B C10B 1.341(9) . ?
C9B H9B 0.9500 . ?
C10B H10B 0.9500 . ?
N3B C15B 1.246(8) . ?
N3B C11B 1.314(5) . ?
C11B C12B 1.446(9) . ?
C12B C13B 1.363(8) . ?
C12B H12B 0.9500 . ?
C13B C14B 1.364(6) . ?
C13B H13B 0.9500 . ?
C14B C15B 1.376(7) . ?
C14B H14B 0.9500 . ?
C15B H15B 0.9500 . ?

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
O1 As1 O3 89.62(16) . . ?
O1 As1 O2 92.64(14) . . ?
O3 As1 O2 89.54(15) . . ?
C1 O1 As1 110.9(3) . . ?
C6 O2 As1 113.1(3) . . ?
C11 O3 As1 115.8(4) . . ?
C1 N1 C5 120.5(5) . . ?
N1 C1 O1 117.3(4) . . ?
N1 C1 C2 123.0(5) . . ?
O1 C1 C2 119.7(4) . . ?
C3 C2 C1 117.0(5) . . ?
C3 C2 H2 121.5 . . ?
C1 C2 H2 121.5 . . ?
C2 C3 C4 120.1(5) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C5 C4 C3 119.0(5) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
N1 C5 C4 120.2(5) . . ?
N1 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
C6 N2 C10 117.4(5) . . ?
N2 C6 O2 115.7(4) . . ?
N2 C6 C7 123.9(5) . . ?
O2 C6 C7 120.4(4) . . ?
C6 C7 C8 116.8(5) . . ?
C6 C7 H7 121.6 . . ?
C8 C7 H7 121.6 . . ?
C9 C8 C7 119.0(5) . . ?
C9 C8 H8 120.5 . . ?
C7 C8 H8 120.5 . . ?
C10 C9 C8 118.9(5) . . ?
C10 C9 H9 120.6 . . ?
C8 C9 H9 120.6 . . ?
N2 C10 C9 123.9(5) . . ?
N2 C10 H10 118.0 . . ?
C9 C10 H10 118.0 . . ?
C15 N3 C11 120.7(7) . . ?
N3 C11 O3 111.0(8) . . ?
N3 C11 C12 121.6(6) . . ?
O3 C11 C12 127.4(6) . . ?
C13 C12 C11 115.5(5) . . ?
C13 C12 H12 122.3 . . ?
C11 C12 H12 122.3 . . ?
C12 C13 C14 120.2(6) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C13 C14 C15 118.7(5) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 H14 120.6 . . ?
N3 C15 C14 123.4(5) . . ?
N3 C15 H15 118.3 . . ?
C14 C15 H15 118.3 . . ?
O3B As1B O1B 91.4(3) . . ?
O3B As1B O2B 89.0(3) . . ?
O1B As1B O2B 91.4(3) . . ?
C1B O1B As1B 111.8(5) . . ?
C6B O2B As1B 115.0(5) . . ?
C11B O3B As1B 118.7(7) . . ?
C1B N1B C5B 120.5(5) . . ?
N1B C1B C2B 123.0(5) . . ?
N1B C1B O1B 114.5(6) . . ?
C2B C1B O1B 122.5(6) . . ?
C3B C2B C1B 117.0(5) . . ?
C3B C2B H2B 121.5 . . ?
C1B C2B H2B 121.5 . . ?
C2B C3B C4B 120.0(5) . . ?
C2B C3B H3B 120.0 . . ?
C4B C3B H3B 120.0 . . ?
C5B C4B C3B 119.0(6) . . ?
C5B C4B H4B 120.5 . . ?
C3B C4B H4B 120.5 . . ?
N1B C5B C4B 120.3(5) . . ?
N1B C5B H5B 119.9 . . ?
C4B C5B H5B 119.9 . . ?
C6B N2B C10B 117.5(5) . . ?
N2B C6B C7B 123.9(5) . . ?
N2B C6B O2B 115.0(7) . . ?
C7B C6B O2B 121.1(6) . . ?
C6B C7B C8B 116.7(5) . . ?
C6B C7B H7B 121.6 . . ?
C8B C7B H7B 121.6 . . ?
C9B C8B C7B 119.0(6) . . ?
C9B C8B H8B 120.5 . . ?
C7B C8B H8B 120.5 . . ?
C10B C9B C8B 118.8(6) . . ?
C10B C9B H9B 120.6 . . ?
C8B C9B H9B 120.6 . . ?
N2B C10B C9B 123.9(5) . . ?
N2B C10B H10B 118.0 . . ?
C9B C10B H10B 118.0 . . ?
C15B N3B C11B 120.6(7) . . ?
N3B C11B O3B 102.0(12) . . ?
N3B C11B C12B 121.5(7) . . ?
O3B C11B C12B 136.5(10) . . ?
C13B C12B C11B 115.5(5) . . ?
C13B C12B H12B 122.3 . . ?
C11B C12B H12B 122.3 . . ?
C12B C13B C14B 120.1(6) . . ?
C12B C13B H13B 119.9 . . ?
C14B C13B H13B 119.9 . . ?
C13B C14B C15B 118.7(6) . . ?
C13B C14B H14B 120.6 . . ?
C15B C14B H14B 120.6 . . ?
N3B C15B C14B 123.2(5) . . ?
N3B C15B H15B 118.4 . . ?
C14B C15B H15B 118.4 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3 As1 O1 C1 -178.0(3) . . . . ?
O2 As1 O1 C1 92.5(3) . . . . ?
O1 As1 O2 C6 175.8(3) . . . . ?
O3 As1 O2 C6 86.2(3) . . . . ?
O1 As1 O3 C11 95.1(5) . . . . ?
O2 As1 O3 C11 -172.3(5) . . . . ?
C5 N1 C1 O1 179.2(6) . . . . ?
C5 N1 C1 C2 -1.2(8) . . . . ?
As1 O1 C1 N1 -16.5(5) . . . . ?
As1 O1 C1 C2 163.9(4) . . . . ?
N1 C1 C2 C3 -1.7(8) . . . . ?
O1 C1 C2 C3 177.9(5) . . . . ?
C1 C2 C3 C4 2.3(9) . . . . ?
C2 C3 C4 C5 -0.2(10) . . . . ?
C1 N1 C5 C4 3.4(10) . . . . ?
C3 C4 C5 N1 -2.8(11) . . . . ?
C10 N2 C6 O2 -178.3(8) . . . . ?
C10 N2 C6 C7 0.8(11) . . . . ?
As1 O2 C6 N2 -2.5(6) . . . . ?
As1 O2 C6 C7 178.4(5) . . . . ?
N2 C6 C7 C8 -1.9(10) . . . . ?
O2 C6 C7 C8 177.1(6) . . . . ?
C6 C7 C8 C9 1.8(11) . . . . ?
C7 C8 C9 C10 -0.6(14) . . . . ?
C6 N2 C10 C9 0.6(16) . . . . ?
C8 C9 C10 N2 -0.7(17) . . . . ?
C15 N3 C11 O3 177.7(8) . . . . ?
C15 N3 C11 C12 0.2(14) . . . . ?
As1 O3 C11 N3 -4.9(9) . . . . ?
As1 O3 C11 C12 172.5(8) . . . . ?
N3 C11 C12 C13 -1.7(13) . . . . ?
O3 C11 C12 C13 -178.8(9) . . . . ?
C11 C12 C13 C14 1.7(12) . . . . ?
C12 C13 C14 C15 -0.3(11) . . . . ?
C11 N3 C15 C14 1.5(14) . . . . ?
C13 C14 C15 N3 -1.4(12) . . . . ?
O3B As1B O1B C1B 86.7(8) . . . . ?
O2B As1B O1B C1B 175.7(8) . . . . ?
O3B As1B O2B C6B -171.8(9) . . . . ?
O1B As1B O2B C6B 96.8(9) . . . . ?
O1B As1B O3B C11B -175.6(12) . . . . ?
O2B As1B O3B C11B 93.0(12) . . . . ?
C5B N1B C1B C2B 1(2) . . . . ?
C5B N1B C1B O1B -177.8(10) . . . . ?
As1B O1B C1B N1B -8.5(16) . . . . ?
As1B O1B C1B C2B 172.8(11) . . . . ?
N1B C1B C2B C3B -4(2) . . . . ?
O1B C1B C2B C3B 174.2(13) . . . . ?
C1B C2B C3B C4B 6.2(19) . . . . ?
C2B C3B C4B C5B -5(2) . . . . ?
C1B N1B C5B C4B 1(2) . . . . ?
C3B C4B C5B N1B 1.1(18) . . . . ?
C10B N2B C6B C7B 1(3) . . . . ?
C10B N2B C6B O2B -179.9(13) . . . . ?
As1B O2B C6B N2B -14.0(17) . . . . ?
As1B O2B C6B C7B 164.7(17) . . . . ?
N2B C6B C7B C8B 1(3) . . . . ?
O2B C6B C7B C8B -177.2(18) . . . . ?
C6B C7B C8B C9B -4(3) . . . . ?
C7B C8B C9B C10B 5(3) . . . . ?
C6B N2B C10B C9B -1(3) . . . . ?
C8B C9B C10B N2B -2(3) . . . . ?
C15B N3B C11B O3B 174.4(18) . . . . ?
C15B N3B C11B C12B -5(3) . . . . ?
As1B O3B C11B N3B -3(2) . . . . ?
As1B O3B C11B C12B 176(2) . . . . ?
N3B C11B C12B C13B 0(3) . . . . ?
O3B C11B C12B C13B -179(2) . . . . ?
C11B C12B C13B C14B 2(3) . . . . ?
C12B C13B C14B C15B 0(3) . . . . ?
C11B N3B C15B C14B 8(3) . . . . ?
C13B C14B C15B N3B -5(3) . . . . ?

_refine_diff_density_max         0.215
_refine_diff_density_min         -0.368
_refine_diff_density_rms         0.055

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_RGP10901
_database_code_depnum_ccdc_archive 'CCDC 1994840'
loop_
_audit_author_name
_audit_author_address
'Robert Gericke'
;Technische Universitat Bergakademie Freiberg
Germany
;
_audit_update_record             
;
2020-04-04 deposited with the CCDC.	2020-07-03 downloaded from the CCDC.
;





_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C16 H13 As N2 O2'
_chemical_formula_sum            'C16 H13 As N2 O2'
_chemical_formula_weight         340.20

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'
As As 0.0499 2.0058 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.3588(4)
_cell_length_b                   9.2389(4)
_cell_length_c                   10.3537(5)
_cell_angle_alpha                85.179(4)
_cell_angle_beta                 73.420(3)
_cell_angle_gamma                70.026(3)
_cell_volume                     720.16(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    20049
_cell_measurement_theta_min      2.05
_cell_measurement_theta_max      28.53

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_F_000             344
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.380
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    2.365
_shelx_estimated_absorpt_T_min   0.416
_shelx_estimated_absorpt_T_max   0.718
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.4659
_exptl_absorpt_correction_T_max  0.7399
_exptl_absorpt_process_details   XShape

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Stoe IPDS-2T'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18924
_diffrn_reflns_av_unetI/netI     0.0273
_diffrn_reflns_av_R_equivalents  0.0584
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.053
_diffrn_reflns_theta_max         27.999
_diffrn_reflns_theta_full        27.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3465
_reflns_number_gt                3298
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'ORTEP32 (Farugia)'
_computing_publication_material  'Ciftab (Sheldrick)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0313P)²+0.3427P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0079(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         3465
_refine_ls_number_parameters     191
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0277
_refine_ls_R_factor_gt           0.0257
_refine_ls_wR_factor_ref         0.0673
_refine_ls_wR_factor_gt          0.0662
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_restrained_S_all      1.111
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
As1 As 0.71948(2) 0.65026(2) 0.67844(2) 0.02325(7) Uani 1 1 d . . . . .
N1 N 0.8678(2) 0.34319(16) 0.69282(15) 0.0259(3) Uani 1 1 d . . . . .
N2 N 0.6554(2) 0.95531(17) 0.61682(15) 0.0285(3) Uani 1 1 d . . . . .
O1 O 0.62727(16) 0.53223(14) 0.81143(13) 0.0276(3) Uani 1 1 d . . . . .
O2 O 0.53385(16) 0.80907(14) 0.77616(13) 0.0294(3) Uani 1 1 d . . . . .
C1 C 0.7223(2) 0.38084(18) 0.79467(17) 0.0231(3) Uani 1 1 d . . . . .
C2 C 0.6643(2) 0.2753(2) 0.88300(18) 0.0285(3) Uani 1 1 d . . . . .
H2 H 0.5584 0.3073 0.9545 0.034 Uiso 1 1 calc R U . . .
C3 C 0.7670(3) 0.1230(2) 0.8619(2) 0.0353(4) Uani 1 1 d . . . . .
H3 H 0.7330 0.0468 0.9198 0.042 Uiso 1 1 calc R U . . .
C4 C 0.9206(3) 0.0801(2) 0.7563(2) 0.0381(4) Uani 1 1 d . . . . .
H4 H 0.9928 -0.0250 0.7410 0.046 Uiso 1 1 calc R U . . .
C5 C 0.9661(3) 0.1929(2) 0.67417(19) 0.0322(4) Uani 1 1 d . . . . .
H5 H 1.0708 0.1637 0.6015 0.039 Uiso 1 1 calc R U . . .
C6 C 0.5220(2) 0.94809(19) 0.72015(17) 0.0250(3) Uani 1 1 d . . . . .
C7 C 0.3721(2) 1.0743(2) 0.7734(2) 0.0321(4) Uani 1 1 d . . . . .
H7 H 0.2781 1.0633 0.8465 0.039 Uiso 1 1 calc R U . . .
C8 C 0.3659(3) 1.2152(2) 0.7162(2) 0.0358(4) Uani 1 1 d . . . . .
H8 H 0.2669 1.3044 0.7497 0.043 Uiso 1 1 calc R U . . .
C9 C 0.5053(3) 1.2262(2) 0.6091(2) 0.0361(4) Uani 1 1 d . . . . .
H9 H 0.5041 1.3227 0.5689 0.043 Uiso 1 1 calc R U . . .
C10 C 0.6453(3) 1.0943(2) 0.56217(19) 0.0340(4) Uani 1 1 d . . . . .
H10 H 0.7395 1.1018 0.4875 0.041 Uiso 1 1 calc R U . . .
C11 C 0.9036(2) 0.66103(17) 0.75327(16) 0.0217(3) Uani 1 1 d . . . . .
C12 C 1.0710(2) 0.63666(19) 0.66561(17) 0.0263(3) Uani 1 1 d . . . . .
H12 H 1.0913 0.6185 0.5724 0.032 Uiso 1 1 calc R U . . .
C13 C 1.2085(2) 0.6388(2) 0.71435(19) 0.0305(4) Uani 1 1 d . . . . .
H13 H 1.3230 0.6224 0.6543 0.037 Uiso 1 1 calc R U . . .
C14 C 1.1796(2) 0.6647(2) 0.8499(2) 0.0325(4) Uani 1 1 d . . . . .
H14 H 1.2742 0.6655 0.8831 0.039 Uiso 1 1 calc R U . . .
C15 C 1.0125(3) 0.6895(2) 0.93725(19) 0.0349(4) Uani 1 1 d . . . . .
H15 H 0.9924 0.7080 1.0303 0.042 Uiso 1 1 calc R U . . .
C16 C 0.8743(2) 0.6872(2) 0.88948(17) 0.0294(4) Uani 1 1 d . . . . .
H16 H 0.7599 0.7036 0.9498 0.035 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
As1 O2 1.8391(12) . ?
As1 O1 1.8427(12) . ?
As1 C11 1.9431(16) . ?
N1 C1 1.324(2) . ?
N1 C5 1.347(2) . ?
N2 C6 1.323(2) . ?
N2 C10 1.344(2) . ?
O1 C1 1.349(2) . ?
O2 C6 1.348(2) . ?
C1 C2 1.394(2) . ?
C2 C3 1.373(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.387(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.375(3) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.396(2) . ?
C7 C8 1.375(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.386(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.376(3) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.388(2) . ?
C11 C16 1.388(2) . ?
C12 C13 1.387(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.382(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.385(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.387(3) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?

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
O2 As1 O1 82.78(5) . . ?
O2 As1 C11 98.60(6) . . ?
O1 As1 C11 97.26(6) . . ?
C1 N1 C5 117.56(15) . . ?
C6 N2 C10 117.12(16) . . ?
C1 O1 As1 112.48(10) . . ?
C6 O2 As1 113.47(11) . . ?
N1 C1 O1 116.24(15) . . ?
N1 C1 C2 124.29(16) . . ?
O1 C1 C2 119.47(15) . . ?
C3 C2 C1 116.95(17) . . ?
C3 C2 H2 121.5 . . ?
C1 C2 H2 121.5 . . ?
C2 C3 C4 120.05(17) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C5 C4 C3 118.60(18) . . ?
C5 C4 H4 120.7 . . ?
C3 C4 H4 120.7 . . ?
N1 C5 C4 122.54(18) . . ?
N1 C5 H5 118.7 . . ?
C4 C5 H5 118.7 . . ?
N2 C6 O2 116.99(15) . . ?
N2 C6 C7 124.17(16) . . ?
O2 C6 C7 118.85(16) . . ?
C8 C7 C6 117.44(18) . . ?
C8 C7 H7 121.3 . . ?
C6 C7 H7 121.3 . . ?
C7 C8 C9 119.47(18) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 H8 120.3 . . ?
C10 C9 C8 118.59(18) . . ?
C10 C9 H9 120.7 . . ?
C8 C9 H9 120.7 . . ?
N2 C10 C9 123.18(18) . . ?
N2 C10 H10 118.4 . . ?
C9 C10 H10 118.4 . . ?
C12 C11 C16 119.93(16) . . ?
C12 C11 As1 117.50(12) . . ?
C16 C11 As1 122.55(12) . . ?
C13 C12 C11 119.90(16) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C14 C13 C12 120.26(16) . . ?
C14 C13 H13 119.9 . . ?
C12 C13 H13 119.9 . . ?
C13 C14 C15 119.83(17) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C14 C15 C16 120.31(17) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C15 C16 C11 119.77(16) . . ?
C15 C16 H16 120.1 . . ?
C11 C16 H16 120.1 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 As1 O1 C1 -178.86(12) . . . . ?
C11 As1 O1 C1 -81.05(12) . . . . ?
O1 As1 O2 C6 -177.45(12) . . . . ?
C11 As1 O2 C6 86.25(12) . . . . ?
C5 N1 C1 O1 179.55(15) . . . . ?
C5 N1 C1 C2 -0.3(3) . . . . ?
As1 O1 C1 N1 3.58(19) . . . . ?
As1 O1 C1 C2 -176.60(12) . . . . ?
N1 C1 C2 C3 0.4(3) . . . . ?
O1 C1 C2 C3 -179.38(16) . . . . ?
C1 C2 C3 C4 -0.2(3) . . . . ?
C2 C3 C4 C5 -0.2(3) . . . . ?
C1 N1 C5 C4 -0.1(3) . . . . ?
C3 C4 C5 N1 0.3(3) . . . . ?
C10 N2 C6 O2 -178.92(16) . . . . ?
C10 N2 C6 C7 1.1(3) . . . . ?
As1 O2 C6 N2 -9.5(2) . . . . ?
As1 O2 C6 C7 170.55(13) . . . . ?
N2 C6 C7 C8 -1.5(3) . . . . ?
O2 C6 C7 C8 178.47(17) . . . . ?
C6 C7 C8 C9 0.5(3) . . . . ?
C7 C8 C9 C10 0.8(3) . . . . ?
C6 N2 C10 C9 0.4(3) . . . . ?
C8 C9 C10 N2 -1.3(3) . . . . ?
C16 C11 C12 C13 -0.1(3) . . . . ?
As1 C11 C12 C13 -178.22(13) . . . . ?
C11 C12 C13 C14 0.2(3) . . . . ?
C12 C13 C14 C15 -0.4(3) . . . . ?
C13 C14 C15 C16 0.5(3) . . . . ?
C14 C15 C16 C11 -0.4(3) . . . . ?
C12 C11 C16 C15 0.2(3) . . . . ?
As1 C11 C16 C15 178.24(14) . . . . ?

_refine_diff_density_max         0.392
_refine_diff_density_min         -0.701
_refine_diff_density_rms         0.064

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_RGP11401
_database_code_depnum_ccdc_archive 'CCDC 1994839'
loop_
_audit_author_name
_audit_author_address
'Robert Gericke'
;Technische Universitat Bergakademie Freiberg
Germany
;
_audit_update_record             
;
2020-04-04 deposited with the CCDC.	2020-07-03 downloaded from the CCDC.
;




_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H28 As Cl2 N2 O2 P Ru, 1.5 (C H Cl3)'
_chemical_formula_sum            'C35.50 H29.50 As Cl6.50 N2 O2 P Ru'
_chemical_formula_weight         953.49

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7469(5)
_cell_length_b                   12.8872(6)
_cell_length_c                   16.5916(7)
_cell_angle_alpha                107.717(3)
_cell_angle_beta                 105.382(3)
_cell_angle_gamma                115.059(3)
_cell_volume                     1928.07(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    16357
_cell_measurement_theta_min      1.45
_cell_measurement_theta_max      28.48

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_F_000             950
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    1.785
_shelx_estimated_absorpt_T_min   0.617
_shelx_estimated_absorpt_T_max   0.776
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.7209
_exptl_absorpt_correction_T_max  0.8486
_exptl_absorpt_process_details   XShape

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Stoe IPDS-2T'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22790
_diffrn_reflns_av_unetI/netI     0.0306
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.448
_diffrn_reflns_theta_max         27.993
_diffrn_reflns_theta_full        27.993
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             9315
_reflns_number_gt                7827
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'ORTEP32 (Farugia)'
_computing_publication_material  'Ciftab (Sheldrick)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0351P)²+3.9149P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9315
_refine_ls_number_parameters     501
_refine_ls_number_restraints     104
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0398
_refine_ls_wR_factor_ref         0.0969
_refine_ls_wR_factor_gt          0.0903
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_restrained_S_all      1.083
_refine_ls_shift/su_max          0.033
_refine_ls_shift/su_mean         0.001

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru -0.11867(2) 0.63417(2) 0.76115(2) 0.02035(7) Uani 1 1 d . . . A 1
As1 As -0.03497(3) 0.77019(3) 0.91450(2) 0.02198(8) Uani 1 1 d . . . A 1
Cl1 Cl -0.24713(8) 0.44296(8) 0.77600(6) 0.03284(17) Uani 1 1 d . . . A 1
Cl2 Cl -0.23049(9) 0.50600(8) 0.58977(5) 0.03149(17) Uani 1 1 d . . . A 1
P1 P 0.06662(8) 0.61000(7) 0.77052(5) 0.02117(15) Uani 1 1 d . . . A 1
O1 O 0.0663(3) 0.9279(2) 0.92210(16) 0.0326(5) Uani 1 1 d . . . A 1
O2 O -0.1869(2) 0.7729(3) 0.91908(16) 0.0336(5) Uani 1 1 d . . . A 1
N1 N -0.0191(3) 0.8118(3) 0.75763(18) 0.0240(5) Uani 1 1 d . . . A 1
N2 N -0.2921(3) 0.6606(3) 0.75344(18) 0.0268(5) Uani 1 1 d . . . A 1
C1 C 0.0527(4) 0.9264(3) 0.8380(2) 0.0287(6) Uani 1 1 d . . . A 1
C2 C 0.1163(4) 1.0462(4) 0.8401(3) 0.0385(8) Uani 1 1 d . . . A 1
H2 H 0.1657 1.1246 0.8983 0.046 Uiso 1 1 calc R U . A 1
C3 C 0.1067(5) 1.0500(4) 0.7568(3) 0.0473(10) Uani 1 1 d . . . A 1
H3 H 0.1487 1.1309 0.7563 0.057 Uiso 1 1 calc R U . A 1
C4 C 0.0347(5) 0.9334(4) 0.6733(3) 0.0429(9) Uani 1 1 d . . . A 1
H4 H 0.0280 0.9333 0.6150 0.051 Uiso 1 1 calc R U . A 1
C5 C -0.0264(4) 0.8185(4) 0.6762(2) 0.0327(7) Uani 1 1 d . . . A 1
H5 H -0.0766 0.7394 0.6185 0.039 Uiso 1 1 calc R U . A 1
C6 C -0.2941(3) 0.7227(3) 0.8339(2) 0.0292(7) Uani 1 1 d . . . A 1
C7 C -0.4031(4) 0.7413(4) 0.8338(3) 0.0378(8) Uani 1 1 d . . . A 1
H7 H -0.4027 0.7838 0.8918 0.045 Uiso 1 1 calc R U . A 1
C8 C -0.5108(4) 0.6968(4) 0.7479(3) 0.0413(9) Uani 1 1 d . . . A 1
H8 H -0.5851 0.7098 0.7458 0.050 Uiso 1 1 calc R U . A 1
C9 C -0.5097(4) 0.6331(4) 0.6647(3) 0.0425(9) Uani 1 1 d . . . A 1
H9 H -0.5835 0.6009 0.6046 0.051 Uiso 1 1 calc R U . A 1
C10 C -0.3996(4) 0.6171(4) 0.6706(2) 0.0356(8) Uani 1 1 d . . . A 1
H10 H -0.3995 0.5731 0.6132 0.043 Uiso 1 1 calc R U . A 1
C11 C 0.0574(3) 0.8182(3) 1.0452(2) 0.0269(6) Uani 1 1 d . . . A 1
C12 C -0.0078(4) 0.7321(3) 1.0759(2) 0.0355(8) Uani 1 1 d . . . A 1
H12 H -0.0972 0.6533 1.0328 0.043 Uiso 1 1 calc R U . A 1
C13 C 0.0573(5) 0.7612(4) 1.1691(3) 0.0469(10) Uani 1 1 d . . . A 1
H13 H 0.0126 0.7031 1.1910 0.056 Uiso 1 1 calc R U . A 1
C14 C 0.1877(5) 0.8751(5) 1.2302(3) 0.0604(13) Uani 1 1 d . . . A 1
H14 H 0.2335 0.8949 1.2944 0.072 Uiso 1 1 calc R U . A 1
C15 C 0.2520(6) 0.9597(5) 1.1997(3) 0.0775(19) Uani 1 1 d . . . A 1
H15 H 0.3416 1.0383 1.2428 0.093 Uiso 1 1 calc R U . A 1
C16 C 0.1873(4) 0.9320(4) 1.1059(3) 0.0535(12) Uani 1 1 d . . . A 1
H16 H 0.2321 0.9905 1.0843 0.064 Uiso 1 1 calc R U . A 1
C17 C 0.1733(3) 0.7062(3) 0.7270(2) 0.0232(6) Uani 1 1 d . . . A 1
C18 C 0.2661(3) 0.8409(3) 0.7821(2) 0.0296(7) Uani 1 1 d . . . A 1
H18 H 0.2792 0.8826 0.8449 0.036 Uiso 1 1 calc R U . A 1
C19 C 0.3397(4) 0.9149(4) 0.7463(3) 0.0397(8) Uani 1 1 d . . . A 1
H19 H 0.4042 1.0066 0.7848 0.048 Uiso 1 1 calc R U . A 1
C20 C 0.3181(4) 0.8540(4) 0.6538(3) 0.0404(8) Uani 1 1 d . . . A 1
H20 H 0.3684 0.9039 0.6289 0.048 Uiso 1 1 calc R U . A 1
C21 C 0.2240(4) 0.7216(4) 0.5983(3) 0.0363(8) Uani 1 1 d . . . A 1
H21 H 0.2085 0.6805 0.5348 0.044 Uiso 1 1 calc R U . A 1
C22 C 0.1518(4) 0.6476(3) 0.6341(2) 0.0294(7) Uani 1 1 d . . . A 1
H22 H 0.0870 0.5561 0.5950 0.035 Uiso 1 1 calc R U . A 1
C23 C 0.1918(3) 0.6607(3) 0.8901(2) 0.0261(6) Uani 1 1 d . . . A 1
C24 C 0.3376(4) 0.7415(4) 0.9305(2) 0.0382(8) Uani 1 1 d . . . A 1
H24 H 0.3799 0.7781 0.8964 0.046 Uiso 1 1 calc R U . A 1
C25 C 0.4226(4) 0.7694(5) 1.0209(3) 0.0471(10) Uani 1 1 d . . . A 1
H25 H 0.5224 0.8247 1.0478 0.056 Uiso 1 1 calc R U . A 1
C26 C 0.3631(4) 0.7178(4) 1.0712(3) 0.0429(9) Uani 1 1 d . . . A 1
H26 H 0.4213 0.7386 1.1332 0.051 Uiso 1 1 calc R U . A 1
C27 C 0.2182(4) 0.6354(4) 1.0312(2) 0.0386(8) Uani 1 1 d . . . A 1
H27 H 0.1766 0.5979 1.0653 0.046 Uiso 1 1 calc R U . A 1
C28 C 0.1332(4) 0.6074(3) 0.9415(2) 0.0313(7) Uani 1 1 d . . . A 1
H28 H 0.0336 0.5509 0.9147 0.038 Uiso 1 1 calc R U . A 1
C29 C 0.0352(4) 0.4493(3) 0.7051(2) 0.0284(6) Uani 1 1 d . . . A 1
C30 C 0.1524(5) 0.4400(4) 0.7160(3) 0.0448(9) Uani 1 1 d . . . A 1
H30 H 0.2451 0.5154 0.7576 0.054 Uiso 1 1 calc R U . A 1
C31 C 0.1335(6) 0.3208(5) 0.6660(4) 0.0607(13) Uani 1 1 d . . . A 1
H31 H 0.2133 0.3152 0.6730 0.073 Uiso 1 1 calc R U . A 1
C32 C -0.0006(6) 0.2109(4) 0.6064(3) 0.0548(12) Uani 1 1 d . . . A 1
H32 H -0.0131 0.1298 0.5720 0.066 Uiso 1 1 calc R U . A 1
C33 C -0.1163(5) 0.2185(4) 0.5965(3) 0.0436(9) Uani 1 1 d . . . A 1
H33 H -0.2086 0.1423 0.5556 0.052 Uiso 1 1 calc R U . A 1
C34 C -0.0995(4) 0.3373(3) 0.6462(2) 0.0339(7) Uani 1 1 d . . . A 1
H34 H -0.1800 0.3415 0.6396 0.041 Uiso 1 1 calc R U . A 1
C35A C 0.5568(4) 0.7677(4) 0.4267(3) 0.0499(11) Uani 0.627(3) 1 d D . P B 1
H35A H 0.4660 0.6833 0.3778 0.060 Uiso 0.627(3) 1 calc R U P B 1
Cl3A Cl 0.6656(3) 0.7355(4) 0.4954(2) 0.0902(12) Uani 0.627(3) 1 d D . P B 1
Cl4A Cl 0.5197(4) 0.8670(3) 0.4986(3) 0.1082(19) Uani 0.627(3) 1 d D . P B 1
Cl5A Cl 0.6384(3) 0.8431(4) 0.3684(2) 0.0707(8) Uani 0.627(3) 1 d D . P B 1
C35B C 0.5599(7) 0.7885(8) 0.4321(5) 0.0499(11) Uani 0.225(3) 1 d D . P C 2
H35B H 0.4749 0.7019 0.3801 0.060 Uiso 0.225(3) 1 calc R U P C 2
Cl3B Cl 0.6434(8) 0.7664(9) 0.5239(6) 0.0902(12) Uani 0.225(3) 1 d D . P C 2
Cl4B Cl 0.5053(11) 0.8920(10) 0.4740(9) 0.1082(19) Uani 0.225(3) 1 d D . P C 2
Cl5B Cl 0.6746(10) 0.8534(12) 0.3862(6) 0.0707(8) Uani 0.225(3) 1 d D . P C 2
C35C C 0.5411(8) 0.7599(8) 0.4258(6) 0.0499(11) Uani 0.148(3) 1 d D . P D 3
H35C H 0.4488 0.6782 0.3754 0.060 Uiso 0.148(3) 1 calc R U P D 3
Cl3C Cl 0.6610(13) 0.7189(11) 0.4671(9) 0.0902(12) Uani 0.148(3) 1 d D . P D 3
Cl4C Cl 0.5146(13) 0.8377(13) 0.5190(8) 0.1082(19) Uani 0.148(3) 1 d D . P D 3
Cl5C Cl 0.6037(11) 0.8612(10) 0.3765(7) 0.0707(8) Uani 0.148(3) 1 d D . P D 3
C36A C 0.5022(7) 0.5116(17) 0.9782(4) 0.095(7) Uani 0.3775(13) 1 d D . P E -1
H36A H 0.4839 0.5817 0.9831 0.114 Uiso 0.3775(13) 1 calc R U P E -1
Cl6A Cl 0.3480(6) 0.3884(6) 0.9567(7) 0.156(5) Uani 0.3775(13) 1 d D . P E -1
Cl7A Cl 0.5425(7) 0.4889(6) 0.8875(4) 0.1141(19) Uani 0.3775(13) 1 d D . P E -1
Cl8A Cl 0.6335(10) 0.5782(9) 1.0863(5) 0.154(3) Uani 0.3775(13) 1 d D . P E -1
C36B C 0.4767(19) 0.5129(14) 0.9744(8) 0.095(7) Uani 0.1225(13) 1 d D . P F -2
H36B H 0.4166 0.5482 0.9615 0.114 Uiso 0.1225(13) 1 calc R U P F -2
Cl6B Cl 0.3979(18) 0.4162(17) 1.0167(11) 0.156(5) Uani 0.1225(13) 1 d D . P F
-2
Cl7B Cl 0.461(2) 0.4367(16) 0.8666(9) 0.1141(19) Uani 0.1225(13) 1 d D . P F -2
Cl8B Cl 0.635(2) 0.6485(16) 1.0544(12) 0.154(3) Uani 0.1225(13) 1 d D . P F -2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 2.112(3) . ?
Ru1 N2 2.182(3) . ?
Ru1 As1 2.2386(4) . ?
Ru1 P1 2.2985(8) . ?
Ru1 Cl1 2.4140(9) . ?
Ru1 Cl2 2.4210(8) . ?
As1 O1 1.811(2) . ?
As1 O2 1.821(2) . ?
As1 C11 1.905(3) . ?
P1 C17 1.827(3) . ?
P1 C23 1.837(3) . ?
P1 C29 1.837(3) . ?
O1 C1 1.354(4) . ?
O2 C6 1.346(4) . ?
N1 C1 1.349(4) . ?
N1 C5 1.363(4) . ?
N2 C6 1.343(4) . ?
N2 C10 1.344(4) . ?
C1 C2 1.386(5) . ?
C2 C3 1.375(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.388(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.367(5) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.398(4) . ?
C7 C8 1.375(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.381(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.377(5) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C16 1.372(5) . ?
C11 C12 1.381(5) . ?
C12 C13 1.377(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.377(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.363(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.388(6) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C22 1.391(4) . ?
C17 C18 1.393(4) . ?
C18 C19 1.388(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.389(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.374(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.381(5) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.387(5) . ?
C23 C28 1.393(5) . ?
C24 C25 1.396(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.372(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.381(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.386(5) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C34 1.389(5) . ?
C29 C30 1.401(5) . ?
C30 C31 1.390(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.377(7) . ?
C31 H31 0.9500 . ?
C32 C33 1.374(7) . ?
C32 H32 0.9500 . ?
C33 C34 1.397(5) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35A Cl4A 1.7523(17) . ?
C35A Cl3A 1.7524(17) . ?
C35A Cl5A 1.7525(18) . ?
C35A H35A 1.0000 . ?
C35B Cl4B 1.7524(18) . ?
C35B Cl3B 1.7524(18) . ?
C35B Cl5B 1.7524(18) . ?
C35B H35B 1.0000 . ?
C35C Cl4C 1.7524(18) . ?
C35C Cl3C 1.7524(18) . ?
C35C Cl5C 1.7524(18) . ?
C35C H35C 1.0000 . ?
C36A Cl6A 1.675(6) . ?
C36A Cl8A 1.675(6) . ?
C36A Cl7A 1.675(6) . ?
C36A H36A 1.0000 . ?
C36B Cl6B 1.675(6) . ?
C36B Cl8B 1.675(6) . ?
C36B Cl7B 1.675(6) . ?
C36B H36B 1.0000 . ?

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 N2 86.10(10) . . ?
N1 Ru1 As1 81.77(7) . . ?
N2 Ru1 As1 79.95(7) . . ?
N1 Ru1 P1 93.08(7) . . ?
N2 Ru1 P1 179.06(8) . . ?
As1 Ru1 P1 99.49(2) . . ?
N1 Ru1 Cl1 172.23(7) . . ?
N2 Ru1 Cl1 87.21(8) . . ?
As1 Ru1 Cl1 93.17(2) . . ?
P1 Ru1 Cl1 93.58(3) . . ?
N1 Ru1 Cl2 92.76(7) . . ?
N2 Ru1 Cl2 91.19(7) . . ?
As1 Ru1 Cl2 169.85(2) . . ?
P1 Ru1 Cl2 89.31(3) . . ?
Cl1 Ru1 Cl2 91.33(3) . . ?
O1 As1 O2 99.37(12) . . ?
O1 As1 C11 98.50(13) . . ?
O2 As1 C11 95.48(12) . . ?
O1 As1 Ru1 102.05(7) . . ?
O2 As1 Ru1 103.15(7) . . ?
C11 As1 Ru1 149.43(10) . . ?
C17 P1 C23 105.23(15) . . ?
C17 P1 C29 102.22(14) . . ?
C23 P1 C29 99.79(15) . . ?
C17 P1 Ru1 110.79(10) . . ?
C23 P1 Ru1 115.92(10) . . ?
C29 P1 Ru1 120.94(11) . . ?
C1 O1 As1 115.4(2) . . ?
C6 O2 As1 114.91(19) . . ?
C1 N1 C5 116.4(3) . . ?
C1 N1 Ru1 120.3(2) . . ?
C5 N1 Ru1 123.3(2) . . ?
C6 N2 C10 117.4(3) . . ?
C6 N2 Ru1 119.8(2) . . ?
C10 N2 Ru1 122.8(2) . . ?
N1 C1 O1 120.0(3) . . ?
N1 C1 C2 123.2(3) . . ?
O1 C1 C2 116.8(3) . . ?
C3 C2 C1 119.0(4) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
C2 C3 C4 118.8(4) . . ?
C2 C3 H3 120.6 . . ?
C4 C3 H3 120.6 . . ?
C5 C4 C3 119.1(4) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
N1 C5 C4 123.4(3) . . ?
N1 C5 H5 118.3 . . ?
C4 C5 H5 118.3 . . ?
N2 C6 O2 120.3(3) . . ?
N2 C6 C7 122.6(3) . . ?
O2 C6 C7 117.1(3) . . ?
C8 C7 C6 118.6(3) . . ?
C8 C7 H7 120.7 . . ?
C6 C7 H7 120.7 . . ?
C7 C8 C9 119.3(3) . . ?
C7 C8 H8 120.4 . . ?
C9 C8 H8 120.4 . . ?
C10 C9 C8 118.7(3) . . ?
C10 C9 H9 120.7 . . ?
C8 C9 H9 120.7 . . ?
N2 C10 C9 123.4(3) . . ?
N2 C10 H10 118.3 . . ?
C9 C10 H10 118.3 . . ?
C16 C11 C12 121.1(3) . . ?
C16 C11 As1 121.1(3) . . ?
C12 C11 As1 117.8(2) . . ?
C13 C12 C11 119.7(3) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C14 C13 C12 119.4(4) . . ?
C14 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C15 C14 C13 120.7(4) . . ?
C15 C14 H14 119.6 . . ?
C13 C14 H14 119.6 . . ?
C14 C15 C16 120.5(4) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C11 C16 C15 118.6(4) . . ?
C11 C16 H16 120.7 . . ?
C15 C16 H16 120.7 . . ?
C22 C17 C18 118.7(3) . . ?
C22 C17 P1 120.1(2) . . ?
C18 C17 P1 120.9(2) . . ?
C19 C18 C17 120.8(3) . . ?
C19 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
C18 C19 C20 119.5(3) . . ?
C18 C19 H19 120.3 . . ?
C20 C19 H19 120.3 . . ?
C21 C20 C19 120.0(3) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C22 120.7(3) . . ?
C20 C21 H21 119.7 . . ?
C22 C21 H21 119.7 . . ?
C21 C22 C17 120.4(3) . . ?
C21 C22 H22 119.8 . . ?
C17 C22 H22 119.8 . . ?
C24 C23 C28 118.3(3) . . ?
C24 C23 P1 125.5(3) . . ?
C28 C23 P1 116.1(2) . . ?
C23 C24 C25 120.4(4) . . ?
C23 C24 H24 119.8 . . ?
C25 C24 H24 119.8 . . ?
C26 C25 C24 120.5(4) . . ?
C26 C25 H25 119.7 . . ?
C24 C25 H25 119.7 . . ?
C25 C26 C27 119.7(3) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 H26 120.2 . . ?
C26 C27 C28 120.1(3) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C27 C28 C23 121.0(3) . . ?
C27 C28 H28 119.5 . . ?
C23 C28 H28 119.5 . . ?
C34 C29 C30 119.0(3) . . ?
C34 C29 P1 122.7(3) . . ?
C30 C29 P1 118.3(3) . . ?
C31 C30 C29 120.2(4) . . ?
C31 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C32 C31 C30 120.2(4) . . ?
C32 C31 H31 119.9 . . ?
C30 C31 H31 119.9 . . ?
C33 C32 C31 120.0(4) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C34 120.6(4) . . ?
C32 C33 H33 119.7 . . ?
C34 C33 H33 119.7 . . ?
C29 C34 C33 119.9(4) . . ?
C29 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
Cl4A C35A Cl3A 110.24(13) . . ?
Cl4A C35A Cl5A 110.19(13) . . ?
Cl3A C35A Cl5A 110.17(13) . . ?
Cl4A C35A H35A 108.7 . . ?
Cl3A C35A H35A 108.7 . . ?
Cl5A C35A H35A 108.7 . . ?
Cl4B C35B Cl3B 110.19(14) . . ?
Cl4B C35B Cl5B 110.19(14) . . ?
Cl3B C35B Cl5B 110.19(14) . . ?
Cl4B C35B H35B 108.7 . . ?
Cl3B C35B H35B 108.7 . . ?
Cl5B C35B H35B 108.7 . . ?
Cl4C C35C Cl3C 110.20(14) . . ?
Cl4C C35C Cl5C 110.19(14) . . ?
Cl3C C35C Cl5C 110.20(14) . . ?
Cl4C C35C H35C 108.7 . . ?
Cl3C C35C H35C 108.7 . . ?
Cl5C C35C H35C 108.7 . . ?
Cl6A C36A Cl8A 113.9(6) . . ?
Cl6A C36A Cl7A 115.3(7) . . ?
Cl8A C36A Cl7A 116.7(7) . . ?
Cl6A C36A H36A 102.7 . . ?
Cl8A C36A H36A 102.7 . . ?
Cl7A C36A H36A 102.7 . . ?
Cl6B C36B Cl8B 115.1(7) . . ?
Cl6B C36B Cl7B 115.7(7) . . ?
Cl8B C36B Cl7B 115.9(7) . . ?
Cl6B C36B H36B 102.3 . . ?
Cl8B C36B H36B 102.3 . . ?
Cl7B C36B H36B 102.3 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 As1 O1 C1 -98.0(2) . . . . ?
C11 As1 O1 C1 165.0(2) . . . . ?
Ru1 As1 O1 C1 7.8(2) . . . . ?
O1 As1 O2 C6 90.7(2) . . . . ?
C11 As1 O2 C6 -169.7(3) . . . . ?
Ru1 As1 O2 C6 -14.1(3) . . . . ?
C5 N1 C1 O1 -179.1(3) . . . . ?
Ru1 N1 C1 O1 2.8(4) . . . . ?
C5 N1 C1 C2 0.4(5) . . . . ?
Ru1 N1 C1 C2 -177.7(3) . . . . ?
As1 O1 C1 N1 -7.4(4) . . . . ?
As1 O1 C1 C2 173.1(3) . . . . ?
N1 C1 C2 C3 -0.2(6) . . . . ?
O1 C1 C2 C3 179.3(4) . . . . ?
C1 C2 C3 C4 -0.5(6) . . . . ?
C2 C3 C4 C5 1.1(7) . . . . ?
C1 N1 C5 C4 0.2(5) . . . . ?
Ru1 N1 C5 C4 178.2(3) . . . . ?
C3 C4 C5 N1 -0.9(6) . . . . ?
C10 N2 C6 O2 -177.5(3) . . . . ?
Ru1 N2 C6 O2 2.5(4) . . . . ?
C10 N2 C6 C7 0.9(5) . . . . ?
Ru1 N2 C6 C7 -179.2(3) . . . . ?
As1 O2 C6 N2 8.5(4) . . . . ?
As1 O2 C6 C7 -169.9(3) . . . . ?
N2 C6 C7 C8 -1.5(6) . . . . ?
O2 C6 C7 C8 176.9(4) . . . . ?
C6 C7 C8 C9 1.3(6) . . . . ?
C7 C8 C9 C10 -0.5(7) . . . . ?
C6 N2 C10 C9 -0.1(6) . . . . ?
Ru1 N2 C10 C9 180.0(3) . . . . ?
C8 C9 C10 N2 -0.1(7) . . . . ?
C16 C11 C12 C13 0.8(6) . . . . ?
As1 C11 C12 C13 178.0(3) . . . . ?
C11 C12 C13 C14 -0.9(7) . . . . ?
C12 C13 C14 C15 0.7(8) . . . . ?
C13 C14 C15 C16 -0.5(10) . . . . ?
C12 C11 C16 C15 -0.5(7) . . . . ?
As1 C11 C16 C15 -177.7(4) . . . . ?
C14 C15 C16 C11 0.4(10) . . . . ?
C23 P1 C17 C22 136.6(3) . . . . ?
C29 P1 C17 C22 32.8(3) . . . . ?
Ru1 P1 C17 C22 -97.3(2) . . . . ?
C23 P1 C17 C18 -50.3(3) . . . . ?
C29 P1 C17 C18 -154.2(3) . . . . ?
Ru1 P1 C17 C18 75.7(3) . . . . ?
C22 C17 C18 C19 -2.3(5) . . . . ?
P1 C17 C18 C19 -175.4(3) . . . . ?
C17 C18 C19 C20 1.3(6) . . . . ?
C18 C19 C20 C21 0.4(6) . . . . ?
C19 C20 C21 C22 -1.0(6) . . . . ?
C20 C21 C22 C17 0.0(5) . . . . ?
C18 C17 C22 C21 1.6(5) . . . . ?
P1 C17 C22 C21 174.8(3) . . . . ?
C17 P1 C23 C24 -7.9(3) . . . . ?
C29 P1 C23 C24 97.7(3) . . . . ?
Ru1 P1 C23 C24 -130.7(3) . . . . ?
C17 P1 C23 C28 175.3(2) . . . . ?
C29 P1 C23 C28 -79.0(3) . . . . ?
Ru1 P1 C23 C28 52.6(3) . . . . ?
C28 C23 C24 C25 -0.8(6) . . . . ?
P1 C23 C24 C25 -177.5(3) . . . . ?
C23 C24 C25 C26 -0.2(7) . . . . ?
C24 C25 C26 C27 1.3(7) . . . . ?
C25 C26 C27 C28 -1.4(6) . . . . ?
C26 C27 C28 C23 0.3(6) . . . . ?
C24 C23 C28 C27 0.8(5) . . . . ?
P1 C23 C28 C27 177.8(3) . . . . ?
C17 P1 C29 C34 -121.9(3) . . . . ?
C23 P1 C29 C34 130.0(3) . . . . ?
Ru1 P1 C29 C34 1.6(3) . . . . ?
C17 P1 C29 C30 58.4(3) . . . . ?
C23 P1 C29 C30 -49.7(3) . . . . ?
Ru1 P1 C29 C30 -178.0(3) . . . . ?
C34 C29 C30 C31 1.9(6) . . . . ?
P1 C29 C30 C31 -178.4(4) . . . . ?
C29 C30 C31 C32 -0.7(7) . . . . ?
C30 C31 C32 C33 -0.4(7) . . . . ?
C31 C32 C33 C34 0.4(6) . . . . ?
C30 C29 C34 C33 -1.9(5) . . . . ?
P1 C29 C34 C33 178.4(3) . . . . ?
C32 C33 C34 C29 0.8(5) . . . . ?

_refine_diff_density_max         0.560
_refine_diff_density_min         -0.779
_refine_diff_density_rms         0.097

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_RGP10202
_database_code_depnum_ccdc_archive 'CCDC 1994842'
loop_
_audit_author_name
_audit_author_address
'Robert Gericke'
;Technische Universitat Bergakademie Freiberg
Germany
;
_audit_update_record             
;
2020-04-04 deposited with the CCDC.	2020-07-03 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT910_RGP10202            
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         17 Note
RESPONSE: Reflections at low angle were hidden in the shade of the beam stop.
;




_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C46 H38 As Cl N2 O2 P2 Ru, 2 (C H Cl3)'
_chemical_formula_sum            'C48 H40 As Cl7 N2 O2 P2 Ru'
_chemical_formula_weight         1162.90

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.0117(5)
_cell_length_b                   17.9816(5)
_cell_length_c                   20.4442(6)
_cell_angle_alpha                114.483(2)
_cell_angle_beta                 109.348(2)
_cell_angle_gamma                96.110(2)
_cell_volume                     4846.5(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    85847
_cell_measurement_theta_min      2.41
_cell_measurement_theta_max      30.38

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_F_000             2336
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.250
_exptl_absorpt_coefficient_mu    1.494
_shelx_estimated_absorpt_T_min   0.522
_shelx_estimated_absorpt_T_max   0.706
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.5429
_exptl_absorpt_correction_T_max  0.7176
_exptl_absorpt_process_details   XShape

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Stoe IPDS-2T'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            100356
_diffrn_reflns_av_unetI/netI     0.0261
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         2.550
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_full        29.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             28253
_reflns_number_gt                23541
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'ORTEP32 (Farugia)'
_computing_publication_material  'Ciftab (Sheldrick)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0358P)²+4.5492P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         28253
_refine_ls_number_parameters     1299
_refine_ls_number_restraints     239
_refine_ls_R_factor_all          0.0456
_refine_ls_R_factor_gt           0.0336
_refine_ls_wR_factor_ref         0.0844
_refine_ls_wR_factor_gt          0.0793
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.038
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.07084(2) 0.38538(2) 0.18831(2) 0.01992(3) Uani 1 1 d . . . . .
Ru2 Ru 0.62092(2) 0.84575(2) 0.18801(2) 0.01987(3) Uani 1 1 d . . . . .
As1 As 0.22269(2) 0.39779(2) 0.25937(2) 0.02688(5) Uani 1 1 d . . . . .
As2 As 0.53265(2) 0.83931(2) 0.25542(2) 0.02642(5) Uani 1 1 d . . . . .
P1 P 0.02571(3) 0.26812(3) 0.20415(3) 0.02166(9) Uani 1 1 d . . . . .
P2 P 0.05073(3) 0.49085(3) 0.29353(3) 0.02127(9) Uani 1 1 d . . . . .
P3 P 0.74486(3) 0.96248(3) 0.29521(3) 0.02124(9) Uani 1 1 d . . . . .
P4 P 0.67394(3) 0.73628(3) 0.20535(3) 0.02255(9) Uani 1 1 d . . . . .
Cl1 Cl -0.08340(3) 0.38478(3) 0.09746(3) 0.02777(9) Uani 1 1 d . . . . .
Cl2 Cl 0.69424(3) 0.86325(3) 0.10064(3) 0.02550(9) Uani 1 1 d . . . . .
N1 N 0.09257(12) 0.30103(11) 0.08894(10) 0.0253(3) Uani 1 1 d . . . . .
N2 N 0.13829(13) 0.48293(11) 0.17038(11) 0.0287(4) Uani 1 1 d . . . . .
N3 N 0.54409(11) 0.93330(11) 0.16968(10) 0.0249(3) Uani 1 1 d . . . . .
N4 N 0.49922(11) 0.75784(11) 0.08590(10) 0.0249(3) Uani 1 1 d . . . . .
O1 O 0.24716(11) 0.33410(11) 0.17013(10) 0.0352(4) Uani 1 1 d . . . . .
O2 O 0.27627(11) 0.50304(11) 0.26961(10) 0.0368(4) Uani 1 1 d . . . . .
O3 O 0.50241(11) 0.94375(11) 0.27075(10) 0.0331(3) Uani 1 1 d . . . . .
O4 O 0.41947(10) 0.77520(11) 0.16516(10) 0.0343(3) Uani 1 1 d . . . . .
C1 C 0.17785(15) 0.29127(14) 0.09896(13) 0.0284(4) Uani 1 1 d . . . . .
C2 C 0.19544(17) 0.23573(15) 0.03586(15) 0.0352(5) Uani 1 1 d . . . . .
H2 H 0.2561 0.2307 0.0442 0.042 Uiso 1 1 calc R U . . .
C3 C 0.12507(18) 0.18919(16) -0.03739(15) 0.0379(5) Uani 1 1 d . . . . .
H3 H 0.1359 0.1508 -0.0804 0.046 Uiso 1 1 calc R U . . .
C4 C 0.03687(18) 0.19873(17) -0.04840(14) 0.0397(5) Uani 1 1 d . . . . .
H4 H -0.0132 0.1671 -0.0990 0.048 Uiso 1 1 calc R U . . .
C5 C 0.02353(16) 0.25472(15) 0.01538(13) 0.0323(4) Uani 1 1 d . . . . .
H5 H -0.0366 0.2612 0.0075 0.039 Uiso 1 1 calc R U . . .
C6 C 0.22901(17) 0.52443(14) 0.21652(14) 0.0337(5) Uani 1 1 d . . . . .
C7 C 0.2759(2) 0.58944(17) 0.20968(18) 0.0494(7) Uani 1 1 d . . . . .
H7 H 0.3389 0.6191 0.2443 0.059 Uiso 1 1 calc R U . . .
C8 C 0.2304(3) 0.60980(18) 0.15285(19) 0.0551(8) Uani 1 1 d . . . . .
H8 H 0.2611 0.6537 0.1475 0.066 Uiso 1 1 calc R U . . .
C9 C 0.1386(2) 0.56547(18) 0.10314(18) 0.0476(7) Uani 1 1 d . . . . .
H9 H 0.1058 0.5778 0.0626 0.057 Uiso 1 1 calc R U . . .
C10 C 0.09553(19) 0.50316(16) 0.11334(15) 0.0363(5) Uani 1 1 d . . . . .
H10 H 0.0327 0.4729 0.0786 0.044 Uiso 1 1 calc R U . . .
C11 C 0.09739(15) 0.19419(13) 0.18124(14) 0.0300(4) Uani 1 1 d . . . . .
C12 C 0.07036(18) 0.13433(15) 0.10232(16) 0.0367(5) Uani 1 1 d . . . . .
H12 H 0.0155 0.1314 0.0633 0.044 Uiso 1 1 calc R U . . .
C13 C 0.1219(2) 0.07883(18) 0.0794(2) 0.0523(7) Uani 1 1 d . . . . .
H13 H 0.1021 0.0386 0.0253 0.063 Uiso 1 1 calc R U . . .
C14 C 0.2014(2) 0.0823(2) 0.1351(3) 0.0662(10) Uani 1 1 d . . . . .
H14 H 0.2368 0.0446 0.1197 0.079 Uiso 1 1 calc R U . . .
C15 C 0.2295(2) 0.1404(2) 0.2131(3) 0.0665(10) Uani 1 1 d . . . . .
H15 H 0.2845 0.1427 0.2516 0.080 Uiso 1 1 calc R U . . .
C16 C 0.17800(19) 0.19656(18) 0.23681(19) 0.0478(6) Uani 1 1 d . . . . .
H16 H 0.1983 0.2364 0.2911 0.057 Uiso 1 1 calc R U . . .
C17 C -0.08720(14) 0.18583(13) 0.14092(12) 0.0247(4) Uani 1 1 d . . . . .
C18 C -0.09715(16) 0.11021(13) 0.14600(13) 0.0300(4) Uani 1 1 d . . . . .
H18 H -0.0470 0.1035 0.1819 0.036 Uiso 1 1 calc R U . . .
C19 C -0.17912(17) 0.04512(15) 0.09939(15) 0.0359(5) Uani 1 1 d . . . . .
H19 H -0.1850 -0.0059 0.1032 0.043 Uiso 1 1 calc R U . . .
C20 C -0.25237(18) 0.05484(16) 0.04722(16) 0.0428(6) Uani 1 1 d . . . . .
H20 H -0.3086 0.0103 0.0151 0.051 Uiso 1 1 calc R U . . .
C21 C -0.24422(17) 0.12911(18) 0.04158(16) 0.0432(6) Uani 1 1 d . . . . .
H21 H -0.2950 0.1355 0.0060 0.052 Uiso 1 1 calc R U . . .
C22 C -0.16130(15) 0.19492(14) 0.08817(13) 0.0316(4) Uani 1 1 d . . . . .
H22 H -0.1557 0.2456 0.0838 0.038 Uiso 1 1 calc R U . . .
C23 C 0.03428(15) 0.28764(13) 0.30246(12) 0.0259(4) Uani 1 1 d . . . . .
C24 C -0.04428(16) 0.26649(14) 0.31406(13) 0.0307(4) Uani 1 1 d . . . . .
H24 H -0.1029 0.2405 0.2704 0.037 Uiso 1 1 calc R U . . .
C25 C -0.0379(2) 0.28290(16) 0.38866(15) 0.0392(5) Uani 1 1 d . . . . .
H25 H -0.0921 0.2694 0.3958 0.047 Uiso 1 1 calc R U . . .
C26 C 0.0472(2) 0.31881(17) 0.45224(15) 0.0451(6) Uani 1 1 d . . . . .
H26 H 0.0518 0.3288 0.5029 0.054 Uiso 1 1 calc R U . . .
C27 C 0.1258(2) 0.34026(16) 0.44203(14) 0.0435(6) Uani 1 1 d . . . . .
H27 H 0.1845 0.3641 0.4856 0.052 Uiso 1 1 calc R U . . .
C28 C 0.11950(17) 0.32720(15) 0.36854(13) 0.0338(5) Uani 1 1 d . . . . .
H28 H 0.1735 0.3452 0.3629 0.041 Uiso 1 1 calc R U . . .
C29 C -0.06657(13) 0.48039(13) 0.29101(11) 0.0236(4) Uani 1 1 d . . . . .
C30 C -0.13041(14) 0.40047(14) 0.25131(12) 0.0278(4) Uani 1 1 d . . . . .
H30 H -0.1128 0.3510 0.2266 0.033 Uiso 1 1 calc R U . . .
C31 C -0.21975(15) 0.39201(16) 0.24730(14) 0.0334(5) Uani 1 1 d . . . . .
H31 H -0.2622 0.3370 0.2205 0.040 Uiso 1 1 calc R U . . .
C32 C -0.24676(16) 0.46367(18) 0.28229(14) 0.0362(5) Uani 1 1 d . . . . .
H32 H -0.3079 0.4580 0.2789 0.043 Uiso 1 1 calc R U . . .
C33 C -0.18421(17) 0.54356(17) 0.32223(14) 0.0359(5) Uani 1 1 d . . . . .
H33 H -0.2024 0.5928 0.3466 0.043 Uiso 1 1 calc R U . . .
C34 C -0.09496(15) 0.55205(14) 0.32686(13) 0.0304(4) Uani 1 1 d . . . . .
H34 H -0.0525 0.6072 0.3547 0.036 Uiso 1 1 calc R U . . .
C35 C 0.07248(14) 0.59798(12) 0.30159(12) 0.0250(4) Uani 1 1 d . . . . .
C36 C 0.02049(15) 0.60604(14) 0.23628(13) 0.0290(4) Uani 1 1 d . . . . .
H36 H -0.0181 0.5564 0.1879 0.035 Uiso 1 1 calc R U . . .
C37 C 0.02460(17) 0.68573(15) 0.24121(15) 0.0358(5) Uani 1 1 d . . . . .
H37 H -0.0110 0.6904 0.1963 0.043 Uiso 1 1 calc R U . . .
C38 C 0.08069(19) 0.75853(16) 0.31158(17) 0.0430(6) Uani 1 1 d . . . . .
H38 H 0.0831 0.8131 0.3150 0.052 Uiso 1 1 calc R U . . .
C39 C 0.13292(19) 0.75163(16) 0.37651(17) 0.0452(6) Uani 1 1 d . . . . .
H39 H 0.1717 0.8015 0.4246 0.054 Uiso 1 1 calc R U . . .
C40 C 0.12900(16) 0.67167(14) 0.37189(15) 0.0361(5) Uani 1 1 d . . . . .
H40 H 0.1650 0.6674 0.4169 0.043 Uiso 1 1 calc R U . . .
C41 C 0.12301(14) 0.51809(13) 0.39606(12) 0.0249(4) Uani 1 1 d . . . . .
C42 C 0.21907(15) 0.53899(14) 0.42102(12) 0.0288(4) Uani 1 1 d . . . . .
H42 H 0.2445 0.5380 0.3849 0.035 Uiso 1 1 calc R U . . .
C43 C 0.27765(16) 0.56116(15) 0.49781(13) 0.0339(5) Uani 1 1 d . . . . .
H43 H 0.3426 0.5743 0.5136 0.041 Uiso 1 1 calc R U . . .
C44 C 0.24148(18) 0.56405(16) 0.55130(14) 0.0370(5) Uani 1 1 d . . . . .
H44 H 0.2814 0.5784 0.6036 0.044 Uiso 1 1 calc R U . . .
C45 C 0.14677(18) 0.54597(17) 0.52825(14) 0.0382(5) Uani 1 1 d . . . . .
H45 H 0.1219 0.5491 0.5653 0.046 Uiso 1 1 calc R U . . .
C46 C 0.08784(16) 0.52319(15) 0.45120(13) 0.0316(4) Uani 1 1 d . . . . .
H46 H 0.0231 0.5110 0.4361 0.038 Uiso 1 1 calc R U . . .
C47 C 0.50140(14) 0.96801(14) 0.21712(13) 0.0286(4) Uani 1 1 d . . . . .
C48 C 0.45506(17) 1.02826(16) 0.21091(15) 0.0376(5) Uani 1 1 d . . . . .
H48 H 0.4285 1.0541 0.2468 0.045 Uiso 1 1 calc R U . . .
C49 C 0.44827(18) 1.04956(17) 0.15287(17) 0.0422(6) Uani 1 1 d . . . . .
H49 H 0.4175 1.0907 0.1483 0.051 Uiso 1 1 calc R U . . .
C50 C 0.48693(17) 1.01023(17) 0.10065(16) 0.0390(5) Uani 1 1 d . . . . .
H50 H 0.4813 1.0225 0.0587 0.047 Uiso 1 1 calc R U . . .
C51 C 0.53361(15) 0.95317(15) 0.11087(13) 0.0315(4) Uani 1 1 d . . . . .
H51 H 0.5598 0.9264 0.0749 0.038 Uiso 1 1 calc R U . . .
C52 C 0.41889(14) 0.74478(13) 0.09352(13) 0.0272(4) Uani 1 1 d . . . . .
C53 C 0.33383(15) 0.70020(16) 0.02765(15) 0.0356(5) Uani 1 1 d . . . . .
H53 H 0.2782 0.6931 0.0345 0.043 Uiso 1 1 calc R U . . .
C54 C 0.33180(17) 0.66724(17) -0.04628(15) 0.0411(6) Uani 1 1 d . . . . .
H54 H 0.2746 0.6381 -0.0914 0.049 Uiso 1 1 calc R U . . .
C55 C 0.41450(18) 0.67660(17) -0.05518(14) 0.0415(6) Uani 1 1 d . . . . .
H55 H 0.4148 0.6518 -0.1061 0.050 Uiso 1 1 calc R U . . .
C56 C 0.49565(16) 0.72262(15) 0.01168(13) 0.0330(4) Uani 1 1 d . . . . .
H56 H 0.5517 0.7301 0.0056 0.040 Uiso 1 1 calc R U . . .
C57 C 0.72752(13) 1.06506(12) 0.30178(12) 0.0248(4) Uani 1 1 d . . . . .
C58 C 0.72409(15) 1.07929(14) 0.23889(13) 0.0296(4) Uani 1 1 d . . . . .
H58 H 0.7303 1.0368 0.1952 0.035 Uiso 1 1 calc R U . . .
C59 C 0.71167(17) 1.15458(15) 0.23944(15) 0.0355(5) Uani 1 1 d . . . . .
H59 H 0.7098 1.1635 0.1964 0.043 Uiso 1 1 calc R U . . .
C60 C 0.7020(2) 1.21681(16) 0.30269(17) 0.0428(6) Uani 1 1 d . . . . .
H60 H 0.6928 1.2682 0.3028 0.051 Uiso 1 1 calc R U . . .
C61 C 0.7060(2) 1.20388(16) 0.36546(17) 0.0442(6) Uani 1 1 d . . . . .
H61 H 0.6998 1.2467 0.4090 0.053 Uiso 1 1 calc R U . . .
C62 C 0.71889(17) 1.12842(15) 0.36552(14) 0.0343(5) Uani 1 1 d . . . . .
H62 H 0.7218 1.1202 0.4092 0.041 Uiso 1 1 calc R U . . .
C63 C 0.85856(13) 0.97322(13) 0.29097(11) 0.0236(4) Uani 1 1 d . . . . .
C64 C 0.92042(14) 1.05321(14) 0.32360(13) 0.0304(4) Uani 1 1 d . . . . .
H64 H 0.9055 1.1033 0.3513 0.037 Uiso 1 1 calc R U . . .
C65 C 1.00369(15) 1.06006(16) 0.31584(14) 0.0354(5) Uani 1 1 d . . . . .
H65 H 1.0448 1.1147 0.3376 0.043 Uiso 1 1 calc R U . . .
C66 C 1.02694(15) 0.98741(17) 0.27645(14) 0.0363(5) Uani 1 1 d . . . . .
H66 H 1.0834 0.9922 0.2705 0.044 Uiso 1 1 calc R U . . .
C67 C 0.96744(15) 0.90795(16) 0.24583(13) 0.0334(5) Uani 1 1 d . . . . .
H67 H 0.9839 0.8580 0.2201 0.040 Uiso 1 1 calc R U . . .
C68 C 0.88337(14) 0.90074(14) 0.25249(12) 0.0271(4) Uani 1 1 d . . . . .
H68 H 0.8426 0.8459 0.2306 0.032 Uiso 1 1 calc R U . . .
C69 C 0.77414(14) 0.98505(13) 0.39786(12) 0.0255(4) Uani 1 1 d . . . . .
C70 C 0.86456(15) 1.00394(14) 0.45204(13) 0.0293(4) Uani 1 1 d . . . . .
H70 H 0.9137 1.0046 0.4359 0.035 Uiso 1 1 calc R U . . .
C71 C 0.88323(16) 1.02186(15) 0.52944(13) 0.0341(5) Uani 1 1 d . . . . .
H71 H 0.9449 1.0346 0.5656 0.041 Uiso 1 1 calc R U . . .
C72 C 0.81241(17) 1.02129(15) 0.55410(13) 0.0339(5) Uani 1 1 d . . . . .
H72 H 0.8253 1.0325 0.6066 0.041 Uiso 1 1 calc R U . . .
C73 C 0.72273(17) 1.00431(15) 0.50165(13) 0.0342(5) Uani 1 1 d . . . . .
H73 H 0.6741 1.0047 0.5185 0.041 Uiso 1 1 calc R U . . .
C74 C 0.70391(15) 0.98668(14) 0.42456(13) 0.0301(4) Uani 1 1 d . . . . .
H74 H 0.6422 0.9755 0.3892 0.036 Uiso 1 1 calc R U . . .
C75 C 0.75616(14) 0.76462(13) 0.30588(12) 0.0261(4) Uani 1 1 d . . . . .
C76 C 0.72908(16) 0.79221(14) 0.36844(13) 0.0317(4) Uani 1 1 d . . . . .
H76 H 0.6684 0.7975 0.3592 0.038 Uiso 1 1 calc R U . . .
C77 C 0.7898(2) 0.81195(15) 0.44399(14) 0.0396(5) Uani 1 1 d . . . . .
H77 H 0.7693 0.8276 0.4852 0.048 Uiso 1 1 calc R U . . .
C78 C 0.8796(2) 0.80880(16) 0.45925(15) 0.0435(6) Uani 1 1 d . . . . .
H78 H 0.9213 0.8229 0.5110 0.052 Uiso 1 1 calc R U . . .
C79 C 0.90876(18) 0.78500(16) 0.39881(15) 0.0410(6) Uani 1 1 d . . . . .
H79 H 0.9711 0.7844 0.4096 0.049 Uiso 1 1 calc R U . . .
C80 C 0.84757(15) 0.76194(14) 0.32237(14) 0.0328(4) Uani 1 1 d . . . . .
H80 H 0.8680 0.7442 0.2811 0.039 Uiso 1 1 calc R U . . .
C81 C 0.72777(13) 0.66778(13) 0.14620(12) 0.0253(4) Uani 1 1 d . . . . .
C82 C 0.75156(15) 0.68144(14) 0.09198(13) 0.0293(4) Uani 1 1 d . . . . .
H82 H 0.7399 0.7280 0.0832 0.035 Uiso 1 1 calc R U . . .
C83 C 0.79291(18) 0.62646(16) 0.05009(15) 0.0377(5) Uani 1 1 d . . . . .
H83 H 0.8089 0.6357 0.0127 0.045 Uiso 1 1 calc R U . . .
C84 C 0.81062(18) 0.55883(16) 0.06277(16) 0.0398(5) Uani 1 1 d . . . . .
H84 H 0.8389 0.5220 0.0343 0.048 Uiso 1 1 calc R U . . .
C85 C 0.78733(16) 0.54484(15) 0.11666(16) 0.0369(5) Uani 1 1 d . . . . .
H85 H 0.8003 0.4988 0.1259 0.044 Uiso 1 1 calc R U . . .
C86 C 0.74508(16) 0.59770(14) 0.15729(14) 0.0321(4) Uani 1 1 d . . . . .
H86 H 0.7275 0.5867 0.1932 0.038 Uiso 1 1 calc R U . . .
C87 C 0.57810(14) 0.64815(14) 0.18162(13) 0.0283(4) Uani 1 1 d . . . . .
C88 C 0.51726(16) 0.59708(14) 0.10215(14) 0.0332(4) Uani 1 1 d . . . . .
H88 H 0.5257 0.6098 0.0636 0.040 Uiso 1 1 calc R U . . .
C89 C 0.44510(17) 0.52847(17) 0.07819(16) 0.0421(6) Uani 1 1 d . . . . .
H89 H 0.4040 0.4955 0.0239 0.050 Uiso 1 1 calc R U . . .
C90 C 0.4328(2) 0.5080(2) 0.1326(2) 0.0597(8) Uani 1 1 d . . . . .
H90 H 0.3835 0.4608 0.1163 0.072 Uiso 1 1 calc R U . . .
C91 C 0.4925(3) 0.5567(3) 0.2111(2) 0.0751(12) Uani 1 1 d . . . . .
H91 H 0.4845 0.5424 0.2490 0.090 Uiso 1 1 calc R U . . .
C92 C 0.5646(2) 0.6267(2) 0.23574(17) 0.0554(8) Uani 1 1 d . . . . .
H92 H 0.6047 0.6600 0.2902 0.066 Uiso 1 1 calc R U . . .
C93A C 0.2776(3) 0.88757(14) 0.22901(12) 0.0625(10) Uani 0.777(5) 1 d D . P A 1
H93A H 0.3395 0.8769 0.2399 0.075 Uiso 0.777(5) 1 calc R U P A 1
Cl3A Cl 0.2918(4) 0.99067(16) 0.30059(18) 0.0883(7) Uani 0.777(5) 1 d D . P A 1
Cl4A Cl 0.23139(12) 0.87391(12) 0.13286(10) 0.0863(5) Uani 0.777(5) 1 d D . P A
1
Cl5A Cl 0.2070(2) 0.81396(12) 0.23768(19) 0.1181(11) Uani 0.777(5) 1 d D . P A
1
C93C C 0.2938(7) 0.8873(5) 0.2374(4) 0.0625(10) Uani 0.223(5) 1 d D . P A 2
H93C H 0.3535 0.8928 0.2318 0.075 Uiso 0.223(5) 1 calc R U P A 2
Cl3C Cl 0.2805(16) 0.9891(6) 0.2831(7) 0.0883(7) Uani 0.223(5) 1 d D . P A 2
Cl4C Cl 0.2033(7) 0.8255(9) 0.1434(5) 0.194(7) Uani 0.223(5) 1 d D U P A 2
Cl5C Cl 0.2959(8) 0.8371(4) 0.2951(5) 0.120(4) Uani 0.223(5) 1 d D . P A 2
C94A C 0.3981(4) 0.82401(15) 0.45136(14) 0.0788(18) Uani 0.636(2) 1 d D . P B 1
H94A H 0.3396 0.8399 0.4347 0.095 Uiso 0.636(2) 1 calc R U P B 1
Cl6A Cl 0.46642(18) 0.8971(2) 0.55012(12) 0.1161(11) Uani 0.636(2) 1 d D . P B
1
Cl7A Cl 0.45316(16) 0.82688(14) 0.39159(13) 0.0948(7) Uani 0.636(2) 1 d D . P B
1
Cl8A Cl 0.36956(13) 0.72140(17) 0.43884(19) 0.1094(9) Uani 0.636(2) 1 d D . P B
1
C94B C 0.4627(7) 0.8336(7) 0.4587(6) 0.0788(18) Uani 0.187(2) 1 d D . P C -2
H94B H 0.4193 0.7895 0.4038 0.095 Uiso 0.187(2) 1 calc R U P C -2
Cl6B Cl 0.4201(10) 0.8279(11) 0.5251(9) 0.277(6) Uani 0.187(2) 1 d D U P C -2
Cl7B Cl 0.4749(11) 0.9341(8) 0.4652(11) 0.277(6) Uani 0.187(2) 1 d D U P C -2
Cl8B Cl 0.5705(9) 0.8148(11) 0.4808(12) 0.277(6) Uani 0.187(2) 1 d D U P C -2
C94C C 0.4697(6) 0.7939(7) 0.4861(5) 0.0788(18) Uani 0.177(3) 1 d D . P D -3
H94C H 0.4987 0.7531 0.5004 0.095 Uiso 0.177(3) 1 calc R U P D -3
Cl6C Cl 0.3506(6) 0.7496(10) 0.4343(7) 0.159(4) Uani 0.177(3) 1 d D . P D -3
Cl7C Cl 0.4924(8) 0.8879(9) 0.5713(5) 0.159(4) Uani 0.177(3) 1 d D . P D -3
Cl8C Cl 0.5125(7) 0.8164(9) 0.4264(5) 0.159(4) Uani 0.177(3) 1 d D . P D -3
C95A C 0.5907(5) 0.6898(2) 0.51535(17) 0.0771(19) Uani 0.457(3) 1 d D . P E 1
H95A H 0.5286 0.6962 0.5129 0.093 Uiso 0.457(3) 1 calc R U P E 1
Cl9 Cl 0.6733(3) 0.78845(18) 0.57797(18) 0.0860(9) Uani 0.457(3) 1 d D . P E 1
Cl10 Cl 0.5889(4) 0.6511(3) 0.42128(16) 0.1181(17) Uani 0.457(3) 1 d D . P E 1
Cl11 Cl 0.6192(4) 0.6200(4) 0.5522(3) 0.091(2) Uani 0.457(3) 1 d D . P E 1
C95B C 0.5728(3) 0.5787(6) 0.4529(3) 0.0771(19) Uani 0.315(2) 1 d D . P F 2
H95B H 0.5787 0.5200 0.4258 0.093 Uiso 0.315(2) 1 calc R U P F 2
Cl12 Cl 0.45798(19) 0.5778(4) 0.4134(2) 0.1171(19) Uani 0.315(2) 1 d D . P F 2
Cl13 Cl 0.6392(6) 0.6483(10) 0.4380(6) 0.260(8) Uani 0.315(2) 1 d D U P F 2
Cl14 Cl 0.6114(6) 0.6134(4) 0.5538(3) 0.071(2) Uani 0.315(2) 1 d D . P F 2
C95C C 0.5827(7) 0.6677(6) 0.4867(5) 0.0771(19) Uani 0.228(3) 1 d D . P G 3
H95C H 0.5191 0.6663 0.4552 0.093 Uiso 0.228(3) 1 calc R U P G 3
Cl22 Cl 0.6452(12) 0.7733(6) 0.5549(7) 0.227(9) Uani 0.228(3) 1 d D U P G 3
Cl23 Cl 0.5742(12) 0.6107(8) 0.5365(7) 0.250(10) Uani 0.228(3) 1 d D U P G 3
Cl24 Cl 0.6341(3) 0.6231(4) 0.4224(3) 0.0640(14) Uani 0.228(3) 1 d D . P G 3
C96A C 0.4484(3) 0.31675(12) 0.26234(14) 0.0535(12) Uani 0.694(5) 1 d D . P H 1
H96A H 0.3799 0.3041 0.2446 0.064 Uiso 0.694(5) 1 calc R U P H 1
Cl16 Cl 0.49713(13) 0.42635(11) 0.32498(14) 0.0835(7) Uani 0.694(5) 1 d D . P H
1
Cl17 Cl 0.4718(2) 0.2831(2) 0.17863(17) 0.0991(8) Uani 0.694(5) 1 d D . P H 1
Cl18 Cl 0.48799(14) 0.26091(12) 0.31312(14) 0.0603(5) Uani 0.694(5) 1 d D . P H
1
C96B C 0.4325(5) 0.2993(3) 0.2202(4) 0.061(4) Uani 0.306(5) 1 d D . P H 2
H96B H 0.3668 0.2964 0.2115 0.073 Uiso 0.306(5) 1 calc R U P H 2
Cl19 Cl 0.4942(5) 0.4039(3) 0.2551(8) 0.181(5) Uani 0.306(5) 1 d D U P H 2
Cl20 Cl 0.4373(4) 0.2335(4) 0.1310(4) 0.0855(15) Uani 0.306(5) 1 d D . P H 2
Cl21 Cl 0.4819(6) 0.2663(6) 0.2898(4) 0.124(3) Uani 0.306(5) 1 d D . P H 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 2.1391(16) . ?
Ru1 N2 2.1840(18) . ?
Ru1 As1 2.3124(3) . ?
Ru1 P1 2.3387(5) . ?
Ru1 P2 2.3526(5) . ?
Ru1 Cl1 2.5469(5) . ?
Ru2 N4 2.1372(17) . ?
Ru2 N3 2.1744(17) . ?
Ru2 As2 2.3019(3) . ?
Ru2 P4 2.3358(5) . ?
Ru2 P3 2.3591(5) . ?
Ru2 Cl2 2.5385(5) . ?
As1 O2 1.8890(17) . ?
As1 O1 1.9056(16) . ?
As2 O4 1.8958(16) . ?
As2 O3 1.9146(16) . ?
P1 C23 1.845(2) . ?
P1 C17 1.851(2) . ?
P1 C11 1.862(2) . ?
P2 C41 1.842(2) . ?
P2 C35 1.848(2) . ?
P2 C29 1.849(2) . ?
P3 C69 1.841(2) . ?
P3 C63 1.845(2) . ?
P3 C57 1.851(2) . ?
P4 C81 1.845(2) . ?
P4 C75 1.848(2) . ?
P4 C87 1.858(2) . ?
N1 C1 1.354(3) . ?
N1 C5 1.357(3) . ?
N2 C6 1.355(3) . ?
N2 C10 1.355(3) . ?
N3 C47 1.351(3) . ?
N3 C51 1.355(3) . ?
N4 C52 1.354(3) . ?
N4 C56 1.358(3) . ?
O1 C1 1.327(3) . ?
O2 C6 1.327(3) . ?
O3 C47 1.334(3) . ?
O4 C52 1.330(3) . ?
C1 C2 1.405(3) . ?
C2 C3 1.362(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.395(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.379(3) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.403(3) . ?
C7 C8 1.365(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.384(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.378(4) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C16 1.391(3) . ?
C11 C12 1.396(3) . ?
C12 C13 1.393(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.373(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.372(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.404(4) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C22 1.392(3) . ?
C17 C18 1.402(3) . ?
C18 C19 1.386(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.383(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.384(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.401(3) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.398(3) . ?
C23 C28 1.403(3) . ?
C24 C25 1.393(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.381(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.383(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.387(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.393(3) . ?
C29 C34 1.402(3) . ?
C30 C31 1.393(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.385(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.383(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.388(3) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C40 1.394(3) . ?
C35 C36 1.395(3) . ?
C36 C37 1.387(3) . ?
C36 H36 0.9500 . ?
C37 C38 1.386(4) . ?
C37 H37 0.9500 . ?
C38 C39 1.378(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.395(3) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C46 1.394(3) . ?
C41 C42 1.402(3) . ?
C42 C43 1.389(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.383(4) . ?
C43 H43 0.9500 . ?
C44 C45 1.386(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.392(3) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C48 1.401(3) . ?
C48 C49 1.366(4) . ?
C48 H48 0.9500 . ?
C49 C50 1.389(4) . ?
C49 H49 0.9500 . ?
C50 C51 1.376(3) . ?
C50 H50 0.9500 . ?
C51 H51 0.9500 . ?
C52 C53 1.403(3) . ?
C53 C54 1.363(4) . ?
C53 H53 0.9500 . ?
C54 C55 1.397(4) . ?
C54 H54 0.9500 . ?
C55 C56 1.378(3) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 C62 1.392(3) . ?
C57 C58 1.397(3) . ?
C58 C59 1.385(3) . ?
C58 H58 0.9500 . ?
C59 C60 1.385(4) . ?
C59 H59 0.9500 . ?
C60 C61 1.379(4) . ?
C60 H60 0.9500 . ?
C61 C62 1.395(3) . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
C63 C68 1.394(3) . ?
C63 C64 1.399(3) . ?
C64 C65 1.393(3) . ?
C64 H64 0.9500 . ?
C65 C66 1.387(4) . ?
C65 H65 0.9500 . ?
C66 C67 1.384(4) . ?
C66 H66 0.9500 . ?
C67 C68 1.395(3) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C69 C70 1.400(3) . ?
C69 C74 1.401(3) . ?
C70 C71 1.393(3) . ?
C70 H70 0.9500 . ?
C71 C72 1.386(3) . ?
C71 H71 0.9500 . ?
C72 C73 1.386(3) . ?
C72 H72 0.9500 . ?
C73 C74 1.388(3) . ?
C73 H73 0.9500 . ?
C74 H74 0.9500 . ?
C75 C76 1.399(3) . ?
C75 C80 1.400(3) . ?
C76 C77 1.391(3) . ?
C76 H76 0.9500 . ?
C77 C78 1.380(4) . ?
C77 H77 0.9500 . ?
C78 C79 1.383(4) . ?
C78 H78 0.9500 . ?
C79 C80 1.391(3) . ?
C79 H79 0.9500 . ?
C80 H80 0.9500 . ?
C81 C82 1.386(3) . ?
C81 C86 1.409(3) . ?
C82 C83 1.401(3) . ?
C82 H82 0.9500 . ?
C83 C84 1.383(4) . ?
C83 H83 0.9500 . ?
C84 C85 1.378(4) . ?
C84 H84 0.9500 . ?
C85 C86 1.380(3) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C87 C92 1.383(3) . ?
C87 C88 1.399(3) . ?
C88 C89 1.385(3) . ?
C88 H88 0.9500 . ?
C89 C90 1.371(4) . ?
C89 H89 0.9500 . ?
C90 C91 1.377(5) . ?
C90 H90 0.9500 . ?
C91 C92 1.398(4) . ?
C91 H91 0.9500 . ?
C92 H92 0.9500 . ?
C93A Cl5A 1.7516(15) . ?
C93A Cl4A 1.7519(15) . ?
C93A Cl3A 1.7523(15) . ?
C93A H93A 1.0000 . ?
C93C Cl5C 1.7518(16) . ?
C93C Cl4C 1.7518(16) . ?
C93C Cl3C 1.7520(15) . ?
C93C H93C 1.0000 . ?
C94A Cl7A 1.741(2) . ?
C94A Cl8A 1.741(2) . ?
C94A Cl6A 1.741(2) . ?
C94A H94A 1.0000 . ?
C94B Cl6B 1.741(2) . ?
C94B Cl7B 1.741(2) . ?
C94B Cl8B 1.741(2) . ?
C94B H94B 1.0000 . ?
C94C Cl7C 1.741(2) . ?
C94C Cl8C 1.741(2) . ?
C94C Cl6C 1.741(2) . ?
C94C H94C 1.0000 . ?
C95A Cl11 1.741(3) . ?
C95A Cl9 1.741(3) . ?
C95A Cl10 1.742(3) . ?
C95A H95A 1.0000 . ?
C95B Cl14 1.741(3) . ?
C95B Cl13 1.741(3) . ?
C95B Cl12 1.741(3) . ?
C95B H95B 1.0000 . ?
C95C Cl23 1.741(3) . ?
C95C Cl22 1.741(3) . ?
C95C Cl24 1.741(3) . ?
C95C H95C 1.0000 . ?
C96A Cl17 1.7468(16) . ?
C96A Cl18 1.7469(16) . ?
C96A Cl16 1.7470(16) . ?
C96A H96A 1.0000 . ?
C96B Cl21 1.7466(17) . ?
C96B Cl19 1.7466(17) . ?
C96B Cl20 1.7467(17) . ?
C96B H96B 1.0000 . ?

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 N2 82.81(7) . . ?
N1 Ru1 As1 84.08(5) . . ?
N2 Ru1 As1 81.36(5) . . ?
N1 Ru1 P1 88.23(5) . . ?
N2 Ru1 P1 167.15(5) . . ?
As1 Ru1 P1 88.600(14) . . ?
N1 Ru1 P2 173.15(5) . . ?
N2 Ru1 P2 90.57(5) . . ?
As1 Ru1 P2 96.715(14) . . ?
P1 Ru1 P2 98.585(18) . . ?
N1 Ru1 Cl1 90.97(5) . . ?
N2 Ru1 Cl1 88.24(5) . . ?
As1 Ru1 Cl1 168.958(15) . . ?
P1 Ru1 Cl1 101.139(18) . . ?
P2 Ru1 Cl1 87.048(17) . . ?
N4 Ru2 N3 79.65(6) . . ?
N4 Ru2 As2 84.01(5) . . ?
N3 Ru2 As2 81.60(5) . . ?
N4 Ru2 P4 92.33(5) . . ?
N3 Ru2 P4 167.74(5) . . ?
As2 Ru2 P4 88.394(14) . . ?
N4 Ru2 P3 169.15(5) . . ?
N3 Ru2 P3 89.78(5) . . ?
As2 Ru2 P3 96.987(14) . . ?
P4 Ru2 P3 98.496(18) . . ?
N4 Ru2 Cl2 90.35(5) . . ?
N3 Ru2 Cl2 87.96(5) . . ?
As2 Ru2 Cl2 168.864(14) . . ?
P4 Ru2 Cl2 101.454(17) . . ?
P3 Ru2 Cl2 86.780(17) . . ?
O2 As1 O1 92.64(8) . . ?
O2 As1 Ru1 97.39(5) . . ?
O1 As1 Ru1 96.16(5) . . ?
O4 As2 O3 91.34(7) . . ?
O4 As2 Ru2 96.44(5) . . ?
O3 As2 Ru2 96.33(5) . . ?
C23 P1 C17 100.01(9) . . ?
C23 P1 C11 104.18(10) . . ?
C17 P1 C11 96.10(10) . . ?
C23 P1 Ru1 118.29(7) . . ?
C17 P1 Ru1 124.34(7) . . ?
C11 P1 Ru1 110.30(7) . . ?
C41 P2 C35 99.73(9) . . ?
C41 P2 C29 102.79(9) . . ?
C35 P2 C29 97.91(9) . . ?
C41 P2 Ru1 119.94(6) . . ?
C35 P2 Ru1 114.66(7) . . ?
C29 P2 Ru1 118.14(6) . . ?
C69 P3 C63 102.65(9) . . ?
C69 P3 C57 100.73(9) . . ?
C63 P3 C57 99.20(9) . . ?
C69 P3 Ru2 121.61(7) . . ?
C63 P3 Ru2 117.59(6) . . ?
C57 P3 Ru2 111.62(7) . . ?
C81 P4 C75 100.26(9) . . ?
C81 P4 C87 95.99(9) . . ?
C75 P4 C87 103.66(10) . . ?
C81 P4 Ru2 124.69(7) . . ?
C75 P4 Ru2 116.75(7) . . ?
C87 P4 Ru2 111.92(7) . . ?
C1 N1 C5 117.71(18) . . ?
C1 N1 Ru1 119.56(14) . . ?
C5 N1 Ru1 122.71(14) . . ?
C6 N2 C10 116.9(2) . . ?
C6 N2 Ru1 119.16(15) . . ?
C10 N2 Ru1 123.87(16) . . ?
C47 N3 C51 117.38(18) . . ?
C47 N3 Ru2 119.15(14) . . ?
C51 N3 Ru2 123.43(14) . . ?
C52 N4 C56 117.62(18) . . ?
C52 N4 Ru2 118.88(14) . . ?
C56 N4 Ru2 122.93(14) . . ?
C1 O1 As1 119.47(13) . . ?
C6 O2 As1 117.24(14) . . ?
C47 O3 As2 116.31(13) . . ?
C52 O4 As2 119.46(13) . . ?
O1 C1 N1 119.84(18) . . ?
O1 C1 C2 118.4(2) . . ?
N1 C1 C2 121.8(2) . . ?
C3 C2 C1 119.6(2) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C2 C3 C4 119.1(2) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C5 C4 C3 118.9(2) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
N1 C5 C4 122.8(2) . . ?
N1 C5 H5 118.6 . . ?
C4 C5 H5 118.6 . . ?
O2 C6 N2 119.7(2) . . ?
O2 C6 C7 118.2(2) . . ?
N2 C6 C7 122.1(2) . . ?
C8 C7 C6 119.5(3) . . ?
C8 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
C7 C8 C9 119.0(3) . . ?
C7 C8 H8 120.5 . . ?
C9 C8 H8 120.5 . . ?
C10 C9 C8 119.1(3) . . ?
C10 C9 H9 120.5 . . ?
C8 C9 H9 120.5 . . ?
N2 C10 C9 123.3(3) . . ?
N2 C10 H10 118.3 . . ?
C9 C10 H10 118.3 . . ?
C16 C11 C12 117.6(2) . . ?
C16 C11 P1 124.64(19) . . ?
C12 C11 P1 117.71(18) . . ?
C13 C12 C11 121.6(3) . . ?
C13 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
C14 C13 C12 119.9(3) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C15 C14 C13 119.7(3) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C14 C15 C16 120.8(3) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C11 C16 C15 120.4(3) . . ?
C11 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C22 C17 C18 118.96(19) . . ?
C22 C17 P1 123.29(16) . . ?
C18 C17 P1 117.74(16) . . ?
C19 C18 C17 121.0(2) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C20 C19 C18 119.6(2) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C19 C20 C21 120.4(2) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C20 C21 C22 120.3(2) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C17 C22 C21 119.8(2) . . ?
C17 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C24 C23 C28 117.9(2) . . ?
C24 C23 P1 121.10(16) . . ?
C28 C23 P1 120.96(17) . . ?
C25 C24 C23 121.0(2) . . ?
C25 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C26 C25 C24 120.0(2) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C26 C27 119.9(2) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C26 C27 C28 120.4(2) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C27 C28 C23 120.7(2) . . ?
C27 C28 H28 119.6 . . ?
C23 C28 H28 119.6 . . ?
C30 C29 C34 117.95(19) . . ?
C30 C29 P2 120.52(15) . . ?
C34 C29 P2 121.50(16) . . ?
C29 C30 C31 121.0(2) . . ?
C29 C30 H30 119.5 . . ?
C31 C30 H30 119.5 . . ?
C32 C31 C30 120.2(2) . . ?
C32 C31 H31 119.9 . . ?
C30 C31 H31 119.9 . . ?
C33 C32 C31 119.7(2) . . ?
C33 C32 H32 120.2 . . ?
C31 C32 H32 120.2 . . ?
C32 C33 C34 120.2(2) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
C33 C34 C29 121.0(2) . . ?
C33 C34 H34 119.5 . . ?
C29 C34 H34 119.5 . . ?
C40 C35 C36 118.67(19) . . ?
C40 C35 P2 123.35(17) . . ?
C36 C35 P2 117.48(15) . . ?
C37 C36 C35 120.7(2) . . ?
C37 C36 H36 119.6 . . ?
C35 C36 H36 119.6 . . ?
C38 C37 C36 120.1(2) . . ?
C38 C37 H37 120.0 . . ?
C36 C37 H37 120.0 . . ?
C39 C38 C37 119.9(2) . . ?
C39 C38 H38 120.0 . . ?
C37 C38 H38 120.0 . . ?
C38 C39 C40 120.2(2) . . ?
C38 C39 H39 119.9 . . ?
C40 C39 H39 119.9 . . ?
C35 C40 C39 120.4(2) . . ?
C35 C40 H40 119.8 . . ?
C39 C40 H40 119.8 . . ?
C46 C41 C42 118.20(19) . . ?
C46 C41 P2 123.70(16) . . ?
C42 C41 P2 118.02(15) . . ?
C43 C42 C41 121.0(2) . . ?
C43 C42 H42 119.5 . . ?
C41 C42 H42 119.5 . . ?
C44 C43 C42 120.0(2) . . ?
C44 C43 H43 120.0 . . ?
C42 C43 H43 120.0 . . ?
C43 C44 C45 119.7(2) . . ?
C43 C44 H44 120.1 . . ?
C45 C44 H44 120.1 . . ?
C44 C45 C46 120.4(2) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 H45 119.8 . . ?
C45 C46 C41 120.6(2) . . ?
C45 C46 H46 119.7 . . ?
C41 C46 H46 119.7 . . ?
O3 C47 N3 119.30(19) . . ?
O3 C47 C48 119.0(2) . . ?
N3 C47 C48 121.7(2) . . ?
C49 C48 C47 119.6(2) . . ?
C49 C48 H48 120.2 . . ?
C47 C48 H48 120.2 . . ?
C48 C49 C50 119.1(2) . . ?
C48 C49 H49 120.5 . . ?
C50 C49 H49 120.5 . . ?
C51 C50 C49 118.7(2) . . ?
C51 C50 H50 120.6 . . ?
C49 C50 H50 120.6 . . ?
N3 C51 C50 123.3(2) . . ?
N3 C51 H51 118.4 . . ?
C50 C51 H51 118.4 . . ?
O4 C52 N4 119.74(18) . . ?
O4 C52 C53 118.35(19) . . ?
N4 C52 C53 121.9(2) . . ?
C54 C53 C52 119.3(2) . . ?
C54 C53 H53 120.3 . . ?
C52 C53 H53 120.3 . . ?
C53 C54 C55 119.5(2) . . ?
C53 C54 H54 120.2 . . ?
C55 C54 H54 120.2 . . ?
C56 C55 C54 118.4(2) . . ?
C56 C55 H55 120.8 . . ?
C54 C55 H55 120.8 . . ?
N4 C56 C55 123.1(2) . . ?
N4 C56 H56 118.5 . . ?
C55 C56 H56 118.5 . . ?
C62 C57 C58 118.7(2) . . ?
C62 C57 P3 124.04(17) . . ?
C58 C57 P3 117.30(15) . . ?
C59 C58 C57 120.8(2) . . ?
C59 C58 H58 119.6 . . ?
C57 C58 H58 119.6 . . ?
C60 C59 C58 120.1(2) . . ?
C60 C59 H59 120.0 . . ?
C58 C59 H59 120.0 . . ?
C61 C60 C59 119.7(2) . . ?
C61 C60 H60 120.1 . . ?
C59 C60 H60 120.1 . . ?
C60 C61 C62 120.6(2) . . ?
C60 C61 H61 119.7 . . ?
C62 C61 H61 119.7 . . ?
C57 C62 C61 120.2(2) . . ?
C57 C62 H62 119.9 . . ?
C61 C62 H62 119.9 . . ?
C68 C63 C64 118.46(18) . . ?
C68 C63 P3 120.02(15) . . ?
C64 C63 P3 121.49(15) . . ?
C65 C64 C63 120.6(2) . . ?
C65 C64 H64 119.7 . . ?
C63 C64 H64 119.7 . . ?
C66 C65 C64 120.3(2) . . ?
C66 C65 H65 119.9 . . ?
C64 C65 H65 119.9 . . ?
C67 C66 C65 119.6(2) . . ?
C67 C66 H66 120.2 . . ?
C65 C66 H66 120.2 . . ?
C66 C67 C68 120.3(2) . . ?
C66 C67 H67 119.8 . . ?
C68 C67 H67 119.8 . . ?
C63 C68 C67 120.7(2) . . ?
C63 C68 H68 119.7 . . ?
C67 C68 H68 119.7 . . ?
C70 C69 C74 117.87(19) . . ?
C70 C69 P3 122.93(16) . . ?
C74 C69 P3 119.16(16) . . ?
C71 C70 C69 120.7(2) . . ?
C71 C70 H70 119.7 . . ?
C69 C70 H70 119.7 . . ?
C72 C71 C70 120.5(2) . . ?
C72 C71 H71 119.8 . . ?
C70 C71 H71 119.8 . . ?
C73 C72 C71 119.6(2) . . ?
C73 C72 H72 120.2 . . ?
C71 C72 H72 120.2 . . ?
C72 C73 C74 120.1(2) . . ?
C72 C73 H73 120.0 . . ?
C74 C73 H73 120.0 . . ?
C73 C74 C69 121.3(2) . . ?
C73 C74 H74 119.4 . . ?
C69 C74 H74 119.4 . . ?
C76 C75 C80 118.1(2) . . ?
C76 C75 P4 120.43(16) . . ?
C80 C75 P4 121.43(17) . . ?
C77 C76 C75 120.9(2) . . ?
C77 C76 H76 119.5 . . ?
C75 C76 H76 119.5 . . ?
C78 C77 C76 120.2(2) . . ?
C78 C77 H77 119.9 . . ?
C76 C77 H77 119.9 . . ?
C77 C78 C79 119.7(2) . . ?
C77 C78 H78 120.2 . . ?
C79 C78 H78 120.2 . . ?
C78 C79 C80 120.5(2) . . ?
C78 C79 H79 119.7 . . ?
C80 C79 H79 119.7 . . ?
C79 C80 C75 120.5(2) . . ?
C79 C80 H80 119.8 . . ?
C75 C80 H80 119.8 . . ?
C82 C81 C86 118.78(19) . . ?
C82 C81 P4 123.74(16) . . ?
C86 C81 P4 117.48(16) . . ?
C81 C82 C83 119.8(2) . . ?
C81 C82 H82 120.1 . . ?
C83 C82 H82 120.1 . . ?
C84 C83 C82 120.5(2) . . ?
C84 C83 H83 119.8 . . ?
C82 C83 H83 119.8 . . ?
C85 C84 C83 120.1(2) . . ?
C85 C84 H84 119.9 . . ?
C83 C84 H84 119.9 . . ?
C84 C85 C86 120.0(2) . . ?
C84 C85 H85 120.0 . . ?
C86 C85 H85 120.0 . . ?
C85 C86 C81 120.8(2) . . ?
C85 C86 H86 119.6 . . ?
C81 C86 H86 119.6 . . ?
C92 C87 C88 117.5(2) . . ?
C92 C87 P4 125.23(18) . . ?
C88 C87 P4 117.24(17) . . ?
C89 C88 C87 121.6(2) . . ?
C89 C88 H88 119.2 . . ?
C87 C88 H88 119.2 . . ?
C90 C89 C88 120.1(2) . . ?
C90 C89 H89 119.9 . . ?
C88 C89 H89 119.9 . . ?
C89 C90 C91 119.4(3) . . ?
C89 C90 H90 120.3 . . ?
C91 C90 H90 120.3 . . ?
C90 C91 C92 120.7(3) . . ?
C90 C91 H91 119.6 . . ?
C92 C91 H91 119.6 . . ?
C87 C92 C91 120.7(3) . . ?
C87 C92 H92 119.7 . . ?
C91 C92 H92 119.7 . . ?
Cl5A C93A Cl4A 110.49(17) . . ?
Cl5A C93A Cl3A 108.94(18) . . ?
Cl4A C93A Cl3A 112.66(18) . . ?
Cl5A C93A H93A 108.2 . . ?
Cl4A C93A H93A 108.2 . . ?
Cl3A C93A H93A 108.2 . . ?
Cl5C C93C Cl4C 109.7(4) . . ?
Cl5C C93C Cl3C 110.2(4) . . ?
Cl4C C93C Cl3C 110.2(4) . . ?
Cl5C C93C H93C 108.9 . . ?
Cl4C C93C H93C 108.9 . . ?
Cl3C C93C H93C 108.9 . . ?
Cl7A C94A Cl8A 110.2(2) . . ?
Cl7A C94A Cl6A 111.0(2) . . ?
Cl8A C94A Cl6A 110.9(2) . . ?
Cl7A C94A H94A 108.2 . . ?
Cl8A C94A H94A 108.2 . . ?
Cl6A C94A H94A 108.2 . . ?
Cl6B C94B Cl7B 110.8(5) . . ?
Cl6B C94B Cl8B 109.3(4) . . ?
Cl7B C94B Cl8B 108.5(4) . . ?
Cl6B C94B H94B 109.4 . . ?
Cl7B C94B H94B 109.4 . . ?
Cl8B C94B H94B 109.4 . . ?
Cl7C C94C Cl8C 109.6(4) . . ?
Cl7C C94C Cl6C 108.6(4) . . ?
Cl8C C94C Cl6C 108.3(4) . . ?
Cl7C C94C H94C 110.1 . . ?
Cl8C C94C H94C 110.1 . . ?
Cl6C C94C H94C 110.1 . . ?
Cl11 C95A Cl9 108.9(3) . . ?
Cl11 C95A Cl10 110.2(3) . . ?
Cl9 C95A Cl10 109.1(3) . . ?
Cl11 C95A H95A 109.6 . . ?
Cl9 C95A H95A 109.6 . . ?
Cl10 C95A H95A 109.6 . . ?
Cl14 C95B Cl13 109.2(4) . . ?
Cl14 C95B Cl12 110.1(4) . . ?
Cl13 C95B Cl12 108.6(4) . . ?
Cl14 C95B H95B 109.7 . . ?
Cl13 C95B H95B 109.7 . . ?
Cl12 C95B H95B 109.7 . . ?
Cl23 C95C Cl22 109.5(4) . . ?
Cl23 C95C Cl24 111.5(4) . . ?
Cl22 C95C Cl24 110.5(4) . . ?
Cl23 C95C H95C 108.5 . . ?
Cl22 C95C H95C 108.5 . . ?
Cl24 C95C H95C 108.4 . . ?
Cl17 C96A Cl18 110.54(17) . . ?
Cl17 C96A Cl16 111.5(2) . . ?
Cl18 C96A Cl16 110.25(17) . . ?
Cl17 C96A H96A 108.2 . . ?
Cl18 C96A H96A 108.2 . . ?
Cl16 C96A H96A 108.2 . . ?
Cl21 C96B Cl19 109.2(6) . . ?
Cl21 C96B Cl20 109.9(4) . . ?
Cl19 C96B Cl20 109.0(4) . . ?
Cl21 C96B H96B 109.6 . . ?
Cl19 C96B H96B 109.6 . . ?
Cl20 C96B H96B 109.6 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 As1 O2 C6 73.26(16) . . . . ?
Ru1 As1 O2 C6 -23.31(16) . . . . ?
O3 As2 O4 C52 103.08(17) . . . . ?
Ru2 As2 O4 C52 6.56(16) . . . . ?
As1 O1 C1 N1 7.7(3) . . . . ?
As1 O1 C1 C2 -171.49(16) . . . . ?
C5 N1 C1 O1 -178.8(2) . . . . ?
Ru1 N1 C1 O1 -0.1(3) . . . . ?
C5 N1 C1 C2 0.4(3) . . . . ?
Ru1 N1 C1 C2 179.05(17) . . . . ?
O1 C1 C2 C3 178.2(2) . . . . ?
N1 C1 C2 C3 -1.0(4) . . . . ?
C1 C2 C3 C4 0.9(4) . . . . ?
C2 C3 C4 C5 -0.3(4) . . . . ?
C1 N1 C5 C4 0.3(3) . . . . ?
Ru1 N1 C5 C4 -178.36(19) . . . . ?
C3 C4 C5 N1 -0.3(4) . . . . ?
As1 O2 C6 N2 15.7(3) . . . . ?
As1 O2 C6 C7 -163.59(18) . . . . ?
C10 N2 C6 O2 -175.16(19) . . . . ?
Ru1 N2 C6 O2 2.6(3) . . . . ?
C10 N2 C6 C7 4.1(3) . . . . ?
Ru1 N2 C6 C7 -178.13(18) . . . . ?
O2 C6 C7 C8 176.6(2) . . . . ?
N2 C6 C7 C8 -2.7(4) . . . . ?
C6 C7 C8 C9 -0.1(4) . . . . ?
C7 C8 C9 C10 1.1(4) . . . . ?
C6 N2 C10 C9 -3.0(3) . . . . ?
Ru1 N2 C10 C9 179.32(18) . . . . ?
C8 C9 C10 N2 0.5(4) . . . . ?
C23 P1 C11 C16 -35.2(2) . . . . ?
C17 P1 C11 C16 -137.2(2) . . . . ?
Ru1 P1 C11 C16 92.7(2) . . . . ?
C23 P1 C11 C12 147.41(18) . . . . ?
C17 P1 C11 C12 45.44(19) . . . . ?
Ru1 P1 C11 C12 -84.67(18) . . . . ?
C16 C11 C12 C13 -0.2(4) . . . . ?
P1 C11 C12 C13 177.4(2) . . . . ?
C11 C12 C13 C14 0.0(4) . . . . ?
C12 C13 C14 C15 0.1(5) . . . . ?
C13 C14 C15 C16 -0.1(6) . . . . ?
C12 C11 C16 C15 0.2(4) . . . . ?
P1 C11 C16 C15 -177.2(2) . . . . ?
C14 C15 C16 C11 -0.1(5) . . . . ?
C23 P1 C17 C22 122.20(19) . . . . ?
C11 P1 C17 C22 -132.19(19) . . . . ?
Ru1 P1 C17 C22 -12.5(2) . . . . ?
C23 P1 C17 C18 -58.95(18) . . . . ?
C11 P1 C17 C18 46.65(18) . . . . ?
Ru1 P1 C17 C18 166.35(13) . . . . ?
C22 C17 C18 C19 0.1(3) . . . . ?
P1 C17 C18 C19 -178.79(17) . . . . ?
C17 C18 C19 C20 -0.2(3) . . . . ?
C18 C19 C20 C21 -0.2(4) . . . . ?
C19 C20 C21 C22 0.6(4) . . . . ?
C18 C17 C22 C21 0.3(3) . . . . ?
P1 C17 C22 C21 179.16(19) . . . . ?
C20 C21 C22 C17 -0.7(4) . . . . ?
C17 P1 C23 C24 -21.02(19) . . . . ?
C11 P1 C23 C24 -119.98(18) . . . . ?
Ru1 P1 C23 C24 117.18(16) . . . . ?
C17 P1 C23 C28 161.44(18) . . . . ?
C11 P1 C23 C28 62.48(19) . . . . ?
Ru1 P1 C23 C28 -60.36(19) . . . . ?
C28 C23 C24 C25 -1.0(3) . . . . ?
P1 C23 C24 C25 -178.66(17) . . . . ?
C23 C24 C25 C26 -1.5(4) . . . . ?
C24 C25 C26 C27 1.5(4) . . . . ?
C25 C26 C27 C28 1.1(4) . . . . ?
C26 C27 C28 C23 -3.7(4) . . . . ?
C24 C23 C28 C27 3.6(3) . . . . ?
P1 C23 C28 C27 -178.77(18) . . . . ?
C41 P2 C29 C30 -107.14(17) . . . . ?
C35 P2 C29 C30 150.94(17) . . . . ?
Ru1 P2 C29 C30 27.43(19) . . . . ?
C41 P2 C29 C34 74.56(19) . . . . ?
C35 P2 C29 C34 -27.36(19) . . . . ?
Ru1 P2 C29 C34 -150.87(15) . . . . ?
C34 C29 C30 C31 0.0(3) . . . . ?
P2 C29 C30 C31 -178.32(16) . . . . ?
C29 C30 C31 C32 0.7(3) . . . . ?
C30 C31 C32 C33 -1.0(3) . . . . ?
C31 C32 C33 C34 0.4(4) . . . . ?
C32 C33 C34 C29 0.4(4) . . . . ?
C30 C29 C34 C33 -0.6(3) . . . . ?
P2 C29 C34 C33 177.74(17) . . . . ?
C41 P2 C35 C40 -1.1(2) . . . . ?
C29 P2 C35 C40 103.4(2) . . . . ?
Ru1 P2 C35 C40 -130.60(18) . . . . ?
C41 P2 C35 C36 -172.90(16) . . . . ?
C29 P2 C35 C36 -68.38(17) . . . . ?
Ru1 P2 C35 C36 57.61(17) . . . . ?
C40 C35 C36 C37 -0.3(3) . . . . ?
P2 C35 C36 C37 171.92(18) . . . . ?
C35 C36 C37 C38 -0.1(4) . . . . ?
C36 C37 C38 C39 0.5(4) . . . . ?
C37 C38 C39 C40 -0.5(5) . . . . ?
C36 C35 C40 C39 0.2(4) . . . . ?
P2 C35 C40 C39 -171.5(2) . . . . ?
C38 C39 C40 C35 0.2(4) . . . . ?
C35 P2 C41 C46 103.29(19) . . . . ?
C29 P2 C41 C46 2.8(2) . . . . ?
Ru1 P2 C41 C46 -130.74(17) . . . . ?
C35 P2 C41 C42 -73.39(17) . . . . ?
C29 P2 C41 C42 -173.89(16) . . . . ?
Ru1 P2 C41 C42 52.57(18) . . . . ?
C46 C41 C42 C43 2.3(3) . . . . ?
P2 C41 C42 C43 179.21(17) . . . . ?
C41 C42 C43 C44 -0.9(3) . . . . ?
C42 C43 C44 C45 -0.9(4) . . . . ?
C43 C44 C45 C46 1.4(4) . . . . ?
C44 C45 C46 C41 0.1(4) . . . . ?
C42 C41 C46 C45 -1.9(3) . . . . ?
P2 C41 C46 C45 -178.59(18) . . . . ?
As2 O3 C47 N3 -17.6(2) . . . . ?
As2 O3 C47 C48 161.67(17) . . . . ?
C51 N3 C47 O3 173.53(19) . . . . ?
Ru2 N3 C47 O3 -4.2(3) . . . . ?
C51 N3 C47 C48 -5.7(3) . . . . ?
Ru2 N3 C47 C48 176.54(17) . . . . ?
O3 C47 C48 C49 -175.7(2) . . . . ?
N3 C47 C48 C49 3.5(4) . . . . ?
C47 C48 C49 C50 0.6(4) . . . . ?
C48 C49 C50 C51 -2.2(4) . . . . ?
C47 N3 C51 C50 4.1(3) . . . . ?
Ru2 N3 C51 C50 -178.30(18) . . . . ?
C49 C50 C51 N3 -0.1(4) . . . . ?
As2 O4 C52 N4 1.8(3) . . . . ?
As2 O4 C52 C53 -177.72(16) . . . . ?
C56 N4 C52 O4 177.4(2) . . . . ?
Ru2 N4 C52 O4 -11.0(3) . . . . ?
C56 N4 C52 C53 -3.1(3) . . . . ?
Ru2 N4 C52 C53 168.53(17) . . . . ?
O4 C52 C53 C54 -178.9(2) . . . . ?
N4 C52 C53 C54 1.6(4) . . . . ?
C52 C53 C54 C55 1.5(4) . . . . ?
C53 C54 C55 C56 -2.9(4) . . . . ?
C52 N4 C56 C55 1.6(3) . . . . ?
Ru2 N4 C56 C55 -169.6(2) . . . . ?
C54 C55 C56 N4 1.4(4) . . . . ?
C69 P3 C57 C62 -13.1(2) . . . . ?
C63 P3 C57 C62 -117.99(19) . . . . ?
Ru2 P3 C57 C62 117.33(18) . . . . ?
C69 P3 C57 C58 166.10(16) . . . . ?
C63 P3 C57 C58 61.24(17) . . . . ?
Ru2 P3 C57 C58 -63.44(17) . . . . ?
C62 C57 C58 C59 -0.5(3) . . . . ?
P3 C57 C58 C59 -179.75(18) . . . . ?
C57 C58 C59 C60 -0.3(4) . . . . ?
C58 C59 C60 C61 0.8(4) . . . . ?
C59 C60 C61 C62 -0.5(4) . . . . ?
C58 C57 C62 C61 0.8(3) . . . . ?
P3 C57 C62 C61 180.0(2) . . . . ?
C60 C61 C62 C57 -0.3(4) . . . . ?
C69 P3 C63 C68 104.78(17) . . . . ?
C57 P3 C63 C68 -151.95(17) . . . . ?
Ru2 P3 C63 C68 -31.56(19) . . . . ?
C69 P3 C63 C64 -77.26(19) . . . . ?
C57 P3 C63 C64 26.01(19) . . . . ?
Ru2 P3 C63 C64 146.39(15) . . . . ?
C68 C63 C64 C65 1.7(3) . . . . ?
P3 C63 C64 C65 -176.30(17) . . . . ?
C63 C64 C65 C66 -0.8(3) . . . . ?
C64 C65 C66 C67 -0.9(4) . . . . ?
C65 C66 C67 C68 1.8(3) . . . . ?
C64 C63 C68 C67 -0.8(3) . . . . ?
P3 C63 C68 C67 177.21(16) . . . . ?
C66 C67 C68 C63 -0.9(3) . . . . ?
C63 P3 C69 C70 -0.5(2) . . . . ?
C57 P3 C69 C70 -102.62(19) . . . . ?
Ru2 P3 C69 C70 133.54(16) . . . . ?
C63 P3 C69 C74 177.04(17) . . . . ?
C57 P3 C69 C74 74.95(18) . . . . ?
Ru2 P3 C69 C74 -48.9(2) . . . . ?
C74 C69 C70 C71 1.4(3) . . . . ?
P3 C69 C70 C71 179.00(17) . . . . ?
C69 C70 C71 C72 0.0(4) . . . . ?
C70 C71 C72 C73 -1.2(4) . . . . ?
C71 C72 C73 C74 1.0(4) . . . . ?
C72 C73 C74 C69 0.4(4) . . . . ?
C70 C69 C74 C73 -1.6(3) . . . . ?
P3 C69 C74 C73 -179.29(18) . . . . ?
C81 P4 C75 C76 -158.54(17) . . . . ?
C87 P4 C75 C76 -59.73(19) . . . . ?
Ru2 P4 C75 C76 63.82(19) . . . . ?
C81 P4 C75 C80 23.58(19) . . . . ?
C87 P4 C75 C80 122.39(18) . . . . ?
Ru2 P4 C75 C80 -114.06(17) . . . . ?
C80 C75 C76 C77 -3.4(3) . . . . ?
P4 C75 C76 C77 178.60(17) . . . . ?
C75 C76 C77 C78 3.4(4) . . . . ?
C76 C77 C78 C79 -0.7(4) . . . . ?
C77 C78 C79 C80 -1.8(4) . . . . ?
C78 C79 C80 C75 1.7(4) . . . . ?
C76 C75 C80 C79 0.9(3) . . . . ?
P4 C75 C80 C79 178.85(18) . . . . ?
C75 P4 C81 C82 -125.10(19) . . . . ?
C87 P4 C81 C82 129.81(19) . . . . ?
Ru2 P4 C81 C82 7.9(2) . . . . ?
C75 P4 C81 C86 55.05(18) . . . . ?
C87 P4 C81 C86 -50.04(18) . . . . ?
Ru2 P4 C81 C86 -171.99(13) . . . . ?
C86 C81 C82 C83 -0.7(3) . . . . ?
P4 C81 C82 C83 179.48(18) . . . . ?
C81 C82 C83 C84 -0.3(4) . . . . ?
C82 C83 C84 C85 0.2(4) . . . . ?
C83 C84 C85 C86 0.9(4) . . . . ?
C84 C85 C86 C81 -1.9(4) . . . . ?
C82 C81 C86 C85 1.8(3) . . . . ?
P4 C81 C86 C85 -178.33(18) . . . . ?
C81 P4 C87 C92 116.4(3) . . . . ?
C75 P4 C87 C92 14.2(3) . . . . ?
Ru2 P4 C87 C92 -112.4(2) . . . . ?
C81 P4 C87 C88 -60.60(19) . . . . ?
C75 P4 C87 C88 -162.71(17) . . . . ?
Ru2 P4 C87 C88 70.63(18) . . . . ?
C92 C87 C88 C89 1.1(4) . . . . ?
P4 C87 C88 C89 178.30(19) . . . . ?
C87 C88 C89 C90 -1.2(4) . . . . ?
C88 C89 C90 C91 0.4(5) . . . . ?
C89 C90 C91 C92 0.6(7) . . . . ?
C88 C87 C92 C91 -0.1(5) . . . . ?
P4 C87 C92 C91 -177.1(3) . . . . ?
C90 C91 C92 C87 -0.7(7) . . . . ?

_refine_diff_density_max         0.742
_refine_diff_density_min         -0.742
_refine_diff_density_rms         0.073

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_RGP259B01
_database_code_depnum_ccdc_archive 'CCDC 1994841'
loop_
_audit_author_name
_audit_author_address
'Robert Gericke'
;Technische Universitat Bergakademie Freiberg
Germany
;
_audit_update_record             
;
2020-04-04 deposited with the CCDC.	2020-07-03 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT910_RGP259B01           
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         11 Note
RESPONSE: Reflections at low angle were hidden in the shade of the beam stop.
;





_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C46 H38 As Au Cl2 N2 O2 P2 Ru, C H Cl3'
_chemical_formula_sum            'C47 H39 As Au Cl5 N2 O2 P2 Ru'
_chemical_formula_weight         1275.95

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.3889(6)
_cell_length_b                   12.8306(6)
_cell_length_c                   15.0564(7)
_cell_angle_alpha                97.133(4)
_cell_angle_beta                 102.510(4)
_cell_angle_gamma                94.659(4)
_cell_volume                     2303.93(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    55760
_cell_measurement_theta_min      2.69
_cell_measurement_theta_max      28.38

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.839
_exptl_crystal_F_000             1244
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    4.622
_shelx_estimated_absorpt_T_min   0.247
_shelx_estimated_absorpt_T_max   0.913
_exptl_absorpt_correction_type   integration
_exptl_absorpt_correction_T_min  0.3553
_exptl_absorpt_correction_T_max  0.9238
_exptl_absorpt_process_details   XShape

_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Stoe IPDS-2T'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            48246
_diffrn_reflns_av_unetI/netI     0.0294
_diffrn_reflns_av_R_equivalents  0.0496
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.692
_diffrn_reflns_theta_max         28.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             11109
_reflns_number_gt                9248
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'ORTEP32 (Farugia)'
_computing_publication_material  'Ciftab (Sheldrick)'


_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0396P)²+4.9633P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11109
_refine_ls_number_parameters     514
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0333
_refine_ls_wR_factor_ref         0.0854
_refine_ls_wR_factor_gt          0.0789
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.41781(2) 0.19889(2) 1.04836(2) 0.02987(5) Uani 1 1 d . . . . .
Ru1 Ru 0.23683(2) 0.22960(2) 0.76838(2) 0.02133(7) Uani 1 1 d . . . . .
As1 As 0.37653(3) 0.22980(3) 0.89616(3) 0.02497(8) Uani 1 1 d . . . . .
Cl1 Cl 0.11136(9) 0.23522(9) 0.61857(7) 0.0353(2) Uani 1 1 d . . . . .
Cl2 Cl 0.45224(10) 0.15921(10) 1.19521(8) 0.0426(3) Uani 1 1 d . . . . .
P1 P 0.16073(8) 0.04952(7) 0.75502(6) 0.02192(18) Uani 1 1 d . . . . .
P2 P 0.12368(8) 0.32608(7) 0.85076(7) 0.02386(19) Uani 1 1 d . . . . .
O1 O 0.4728(2) 0.1503(2) 0.8437(2) 0.0318(6) Uani 1 1 d . . . . .
O2 O 0.4611(3) 0.3557(3) 0.8964(3) 0.0466(8) Uani 1 1 d . . . . .
N1 N 0.3633(3) 0.1708(3) 0.7017(2) 0.0253(6) Uani 1 1 d . . . . .
N2 N 0.3322(3) 0.3774(3) 0.7637(2) 0.0292(7) Uani 1 1 d . . . . .
C1 C 0.4559(3) 0.1406(3) 0.7523(3) 0.0279(8) Uani 1 1 d . . . . .
C2 C 0.5378(4) 0.0988(4) 0.7120(4) 0.0390(10) Uani 1 1 d . . . . .
H2 H 0.599976 0.073880 0.748793 0.047 Uiso 1 1 calc R U . . .
C3 C 0.5278(4) 0.0940(4) 0.6194(4) 0.0438(11) Uani 1 1 d . . . . .
H3 H 0.583063 0.066416 0.591145 0.053 Uiso 1 1 calc R U . . .
C4 C 0.4357(4) 0.1302(4) 0.5673(3) 0.0441(11) Uani 1 1 d . . . . .
H4 H 0.427935 0.129788 0.503103 0.053 Uiso 1 1 calc R U . . .
C5 C 0.3554(4) 0.1668(4) 0.6102(3) 0.0346(9) Uani 1 1 d . . . . .
H5 H 0.291855 0.190236 0.573877 0.041 Uiso 1 1 calc R U . . .
C6 C 0.4300(4) 0.4085(3) 0.8242(4) 0.0379(10) Uani 1 1 d . . . . .
C7 C 0.4997(5) 0.4970(4) 0.8192(5) 0.0534(14) Uani 1 1 d . . . . .
H7 H 0.569331 0.514982 0.862062 0.064 Uiso 1 1 calc R U . . .
C8 C 0.4672(6) 0.5576(4) 0.7521(4) 0.0581(16) Uani 1 1 d . . . . .
H8 H 0.513127 0.619020 0.748000 0.070 Uiso 1 1 calc R U . . .
C9 C 0.3653(6) 0.5278(4) 0.6896(4) 0.0586(16) Uani 1 1 d . . . . .
H9 H 0.340257 0.569048 0.642578 0.070 Uiso 1 1 calc R U . . .
C10 C 0.3016(5) 0.4380(4) 0.6968(3) 0.0407(10) Uani 1 1 d . . . . .
H10 H 0.233022 0.417445 0.653141 0.049 Uiso 1 1 calc R U . . .
C11 C 0.1975(3) -0.0177(3) 0.8584(3) 0.0238(7) Uani 1 1 d . . . . .
C12 C 0.1163(3) -0.0614(3) 0.8986(3) 0.0313(8) Uani 1 1 d . . . . .
H12 H 0.039871 -0.062843 0.869829 0.038 Uiso 1 1 calc R U . . .
C13 C 0.1462(4) -0.1028(4) 0.9803(3) 0.0382(10) Uani 1 1 d . . . . .
H13 H 0.089912 -0.131477 1.007084 0.046 Uiso 1 1 calc R U . . .
C14 C 0.2567(4) -0.1029(3) 1.0230(3) 0.0361(9) Uani 1 1 d . . . . .
H14 H 0.276513 -0.130706 1.079223 0.043 Uiso 1 1 calc R U . . .
C15 C 0.3378(3) -0.0622(3) 0.9831(3) 0.0299(8) Uani 1 1 d . . . . .
H15 H 0.414028 -0.063063 1.011416 0.036 Uiso 1 1 calc R U . . .
C16 C 0.3090(3) -0.0197(3) 0.9015(3) 0.0261(7) Uani 1 1 d . . . . .
H16 H 0.365890 0.008181 0.874856 0.031 Uiso 1 1 calc R U . . .
C17 C 0.0102(3) 0.0087(3) 0.7205(3) 0.0249(7) Uani 1 1 d . . . . .
C18 C -0.0365(4) -0.0852(3) 0.6616(3) 0.0348(9) Uani 1 1 d . . . . .
H18 H 0.009133 -0.126127 0.631380 0.042 Uiso 1 1 calc R U . . .
C19 C -0.1493(4) -0.1184(4) 0.6475(3) 0.0416(10) Uani 1 1 d . . . . .
H19 H -0.180409 -0.181582 0.606982 0.050 Uiso 1 1 calc R U . . .
C20 C -0.2167(4) -0.0604(4) 0.6916(3) 0.0393(10) Uani 1 1 d . . . . .
H20 H -0.293637 -0.083902 0.682085 0.047 Uiso 1 1 calc R U . . .
C21 C -0.1716(4) 0.0313(4) 0.7494(4) 0.0413(10) Uani 1 1 d . . . . .
H21 H -0.217547 0.071459 0.779881 0.050 Uiso 1 1 calc R U . . .
C22 C -0.0586(3) 0.0660(3) 0.7635(3) 0.0332(9) Uani 1 1 d . . . . .
H22 H -0.028539 0.129896 0.803334 0.040 Uiso 1 1 calc R U . . .
C23 C 0.2080(3) -0.0340(3) 0.6652(3) 0.0269(8) Uani 1 1 d . . . . .
C24 C 0.1623(4) -0.0262(4) 0.5736(3) 0.0362(9) Uani 1 1 d . . . . .
H24 H 0.109906 0.022690 0.559108 0.043 Uiso 1 1 calc R U . . .
C25 C 0.1927(5) -0.0895(4) 0.5032(3) 0.0464(12) Uani 1 1 d . . . . .
H25 H 0.158940 -0.085414 0.440905 0.056 Uiso 1 1 calc R U . . .
C26 C 0.2718(5) -0.1581(4) 0.5233(3) 0.0457(12) Uani 1 1 d . . . . .
H26 H 0.293932 -0.199638 0.474987 0.055 Uiso 1 1 calc R U . . .
C27 C 0.3190(4) -0.1665(4) 0.6147(4) 0.0481(12) Uani 1 1 d . . . . .
H27 H 0.373536 -0.213529 0.628818 0.058 Uiso 1 1 calc R U . . .
C28 C 0.2856(4) -0.1049(3) 0.6856(3) 0.0350(9) Uani 1 1 d . . . . .
H28 H 0.316154 -0.111734 0.747917 0.042 Uiso 1 1 calc R U . . .
C29 C 0.1632(3) 0.4691(3) 0.8569(3) 0.0291(8) Uani 1 1 d . . . . .
C30 C 0.1008(4) 0.5303(4) 0.7992(4) 0.0448(11) Uani 1 1 d . . . . .
H30 H 0.032002 0.500172 0.759391 0.054 Uiso 1 1 calc R U . . .
C31 C 0.1394(6) 0.6358(4) 0.8002(5) 0.0614(16) Uani 1 1 d . . . . .
H31 H 0.095812 0.676970 0.761112 0.074 Uiso 1 1 calc R U . . .
C32 C 0.2383(5) 0.6809(4) 0.8560(4) 0.0552(14) Uani 1 1 d . . . . .
H32 H 0.263922 0.752513 0.854913 0.066 Uiso 1 1 calc R U . . .
C33 C 0.3010(4) 0.6219(4) 0.9140(4) 0.0464(12) Uani 1 1 d . . . . .
H33 H 0.369728 0.653000 0.953335 0.056 Uiso 1 1 calc R U . . .
C34 C 0.2634(4) 0.5167(4) 0.9149(3) 0.0372(9) Uani 1 1 d . . . . .
H34 H 0.306460 0.476846 0.955607 0.045 Uiso 1 1 calc R U . . .
C35 C 0.1418(3) 0.3108(3) 0.9730(3) 0.0276(8) Uani 1 1 d . . . . .
C36 C 0.1503(3) 0.2110(3) 0.9977(3) 0.0301(8) Uani 1 1 d . . . . .
H36 H 0.151005 0.153101 0.951974 0.036 Uiso 1 1 calc R U . . .
C37 C 0.1579(4) 0.1936(4) 1.0884(3) 0.0352(9) Uani 1 1 d . . . . .
H37 H 0.162563 0.124394 1.104116 0.042 Uiso 1 1 calc R U . . .
C38 C 0.1585(5) 0.2780(4) 1.1551(3) 0.0461(12) Uani 1 1 d . . . . .
H38 H 0.165322 0.267119 1.217260 0.055 Uiso 1 1 calc R U . . .
C39 C 0.1494(5) 0.3778(4) 1.1319(3) 0.0505(13) Uani 1 1 d . . . . .
H39 H 0.148757 0.435254 1.178050 0.061 Uiso 1 1 calc R U . . .
C40 C 0.1411(5) 0.3952(4) 1.0409(3) 0.0420(11) Uani 1 1 d . . . . .
H40 H 0.135009 0.464358 1.025383 0.050 Uiso 1 1 calc R U . . .
C41 C -0.0300(3) 0.3222(3) 0.8160(3) 0.0286(8) Uani 1 1 d . . . . .
C42 C -0.0956(4) 0.3246(3) 0.8808(4) 0.0383(10) Uani 1 1 d . . . . .
H42 H -0.062098 0.322612 0.943548 0.046 Uiso 1 1 calc R U . . .
C43 C -0.2101(4) 0.3298(4) 0.8542(4) 0.0457(12) Uani 1 1 d . . . . .
H43 H -0.254082 0.330006 0.898677 0.055 Uiso 1 1 calc R U . . .
C44 C -0.2594(4) 0.3348(4) 0.7639(4) 0.0503(13) Uani 1 1 d . . . . .
H44 H -0.337183 0.338925 0.746200 0.060 Uiso 1 1 calc R U . . .
C45 C -0.1960(4) 0.3336(5) 0.6993(4) 0.0522(14) Uani 1 1 d . . . . .
H45 H -0.230079 0.338283 0.637168 0.063 Uiso 1 1 calc R U . . .
C46 C -0.0824(4) 0.3257(4) 0.7241(3) 0.0412(11) Uani 1 1 d . . . . .
H46 H -0.039994 0.322749 0.678525 0.049 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Au1 Cl2 2.2882(11) . ?
Au1 As1 2.3284(4) . ?
Ru1 N2 2.168(3) . ?
Ru1 N1 2.172(3) . ?
Ru1 As1 2.2919(5) . ?
Ru1 P2 2.3852(10) . ?
Ru1 P1 2.3910(10) . ?
Ru1 Cl1 2.4594(10) . ?
As1 O2 1.852(3) . ?
As1 O1 1.869(3) . ?
P1 C17 1.837(4) . ?
P1 C23 1.846(4) . ?
P1 C11 1.861(4) . ?
P2 C35 1.842(4) . ?
P2 C29 1.846(4) . ?
P2 C41 1.857(4) . ?
O1 C1 1.334(5) . ?
O2 C6 1.353(6) . ?
N1 C1 1.347(5) . ?
N1 C5 1.355(5) . ?
N2 C6 1.346(6) . ?
N2 C10 1.356(6) . ?
C1 C2 1.400(6) . ?
C2 C3 1.366(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.386(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(6) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.389(6) . ?
C7 C8 1.363(9) . ?
C7 H7 0.9500 . ?
C8 C9 1.395(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.372(7) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.396(6) . ?
C11 C16 1.398(5) . ?
C12 C13 1.389(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.380(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.378(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.393(5) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C22 1.381(6) . ?
C17 C18 1.405(6) . ?
C18 C19 1.390(6) . ?
C18 H18 0.9500 . ?
C19 C20 1.383(7) . ?
C19 H19 0.9500 . ?
C20 C21 1.371(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.397(6) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C28 1.388(6) . ?
C23 C24 1.391(6) . ?
C24 C25 1.391(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.380(8) . ?
C25 H25 0.9500 . ?
C26 C27 1.394(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.405(6) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.394(6) . ?
C29 C34 1.397(6) . ?
C30 C31 1.396(7) . ?
C30 H30 0.9500 . ?
C31 C32 1.365(9) . ?
C31 H31 0.9500 . ?
C32 C33 1.380(8) . ?
C32 H32 0.9500 . ?
C33 C34 1.395(7) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C36 1.383(6) . ?
C35 C40 1.396(6) . ?
C36 C37 1.396(6) . ?
C36 H36 0.9500 . ?
C37 C38 1.381(7) . ?
C37 H37 0.9500 . ?
C38 C39 1.375(7) . ?
C38 H38 0.9500 . ?
C39 C40 1.399(7) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C42 1.399(6) . ?
C41 C46 1.403(6) . ?
C42 C43 1.397(7) . ?
C42 H42 0.9500 . ?
C43 C44 1.376(8) . ?
C43 H43 0.9500 . ?
C44 C45 1.377(8) . ?
C44 H44 0.9500 . ?
C45 C46 1.391(7) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?

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
Cl2 Au1 As1 176.67(3) . . ?
N2 Ru1 N1 79.79(12) . . ?
N2 Ru1 As1 81.57(10) . . ?
N1 Ru1 As1 80.88(9) . . ?
N2 Ru1 P2 89.12(9) . . ?
N1 Ru1 P2 168.35(9) . . ?
As1 Ru1 P2 94.06(3) . . ?
N2 Ru1 P1 166.90(9) . . ?
N1 Ru1 P1 87.13(9) . . ?
As1 Ru1 P1 97.12(3) . . ?
P2 Ru1 P1 103.97(3) . . ?
N2 Ru1 Cl1 92.39(10) . . ?
N1 Ru1 Cl1 91.13(9) . . ?
As1 Ru1 Cl1 170.70(3) . . ?
P2 Ru1 Cl1 92.90(4) . . ?
P1 Ru1 Cl1 87.15(4) . . ?
O2 As1 O1 92.23(15) . . ?
O2 As1 Ru1 100.48(11) . . ?
O1 As1 Ru1 99.78(9) . . ?
O2 As1 Au1 104.92(12) . . ?
O1 As1 Au1 102.87(9) . . ?
Ru1 As1 Au1 144.98(2) . . ?
C17 P1 C23 100.27(18) . . ?
C17 P1 C11 99.96(17) . . ?
C23 P1 C11 104.06(17) . . ?
C17 P1 Ru1 122.07(12) . . ?
C23 P1 Ru1 110.67(13) . . ?
C11 P1 Ru1 117.20(12) . . ?
C35 P2 C29 102.26(18) . . ?
C35 P2 C41 100.56(19) . . ?
C29 P2 C41 99.63(18) . . ?
C35 P2 Ru1 116.02(12) . . ?
C29 P2 Ru1 109.34(13) . . ?
C41 P2 Ru1 125.69(13) . . ?
C1 O1 As1 116.0(2) . . ?
C6 O2 As1 117.2(3) . . ?
C1 N1 C5 117.5(3) . . ?
C1 N1 Ru1 119.9(3) . . ?
C5 N1 Ru1 122.5(3) . . ?
C6 N2 C10 117.0(4) . . ?
C6 N2 Ru1 120.3(3) . . ?
C10 N2 Ru1 122.4(3) . . ?
O1 C1 N1 120.5(3) . . ?
O1 C1 C2 117.6(4) . . ?
N1 C1 C2 121.9(4) . . ?
C3 C2 C1 119.7(4) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C2 C3 C4 118.8(4) . . ?
C2 C3 H3 120.6 . . ?
C4 C3 H3 120.6 . . ?
C5 C4 C3 119.0(5) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
N1 C5 C4 122.9(4) . . ?
N1 C5 H5 118.6 . . ?
C4 C5 H5 118.6 . . ?
N2 C6 O2 119.7(4) . . ?
N2 C6 C7 122.9(5) . . ?
O2 C6 C7 117.3(5) . . ?
C8 C7 C6 119.3(6) . . ?
C8 C7 H7 120.4 . . ?
C6 C7 H7 120.4 . . ?
C7 C8 C9 118.7(5) . . ?
C7 C8 H8 120.6 . . ?
C9 C8 H8 120.6 . . ?
C10 C9 C8 119.2(5) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
N2 C10 C9 122.9(5) . . ?
N2 C10 H10 118.6 . . ?
C9 C10 H10 118.6 . . ?
C12 C11 C16 117.9(4) . . ?
C12 C11 P1 121.9(3) . . ?
C16 C11 P1 120.1(3) . . ?
C13 C12 C11 120.6(4) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C14 C13 C12 120.9(4) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C15 C14 C13 119.1(4) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
C14 C15 C16 120.6(4) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C15 C16 C11 120.8(4) . . ?
C15 C16 H16 119.6 . . ?
C11 C16 H16 119.6 . . ?
C22 C17 C18 118.3(4) . . ?
C22 C17 P1 118.2(3) . . ?
C18 C17 P1 123.0(3) . . ?
C19 C18 C17 120.1(4) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C20 C19 C18 120.7(4) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C21 C20 C19 119.4(4) . . ?
C21 C20 H20 120.3 . . ?
C19 C20 H20 120.3 . . ?
C20 C21 C22 120.4(4) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 H21 119.8 . . ?
C17 C22 C21 121.0(4) . . ?
C17 C22 H22 119.5 . . ?
C21 C22 H22 119.5 . . ?
C28 C23 C24 119.3(4) . . ?
C28 C23 P1 122.5(3) . . ?
C24 C23 P1 118.2(3) . . ?
C25 C24 C23 120.6(4) . . ?
C25 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C26 C25 C24 120.3(4) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C25 C26 C27 119.9(4) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 C28 119.7(4) . . ?
C26 C27 H27 120.2 . . ?
C28 C27 H27 120.2 . . ?
C23 C28 C27 120.3(4) . . ?
C23 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C30 C29 C34 118.1(4) . . ?
C30 C29 P2 122.0(3) . . ?
C34 C29 P2 119.7(3) . . ?
C29 C30 C31 120.0(5) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C32 C31 C30 121.4(5) . . ?
C32 C31 H31 119.3 . . ?
C30 C31 H31 119.3 . . ?
C31 C32 C33 119.5(5) . . ?
C31 C32 H32 120.2 . . ?
C33 C32 H32 120.2 . . ?
C32 C33 C34 120.0(5) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C33 C34 C29 121.0(5) . . ?
C33 C34 H34 119.5 . . ?
C29 C34 H34 119.5 . . ?
C36 C35 C40 118.7(4) . . ?
C36 C35 P2 118.7(3) . . ?
C40 C35 P2 122.5(3) . . ?
C35 C36 C37 121.3(4) . . ?
C35 C36 H36 119.3 . . ?
C37 C36 H36 119.3 . . ?
C38 C37 C36 119.3(4) . . ?
C38 C37 H37 120.3 . . ?
C36 C37 H37 120.3 . . ?
C39 C38 C37 120.3(4) . . ?
C39 C38 H38 119.9 . . ?
C37 C38 H38 119.9 . . ?
C38 C39 C40 120.5(4) . . ?
C38 C39 H39 119.8 . . ?
C40 C39 H39 119.8 . . ?
C35 C40 C39 119.9(4) . . ?
C35 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
C42 C41 C46 118.0(4) . . ?
C42 C41 P2 121.5(3) . . ?
C46 C41 P2 120.3(3) . . ?
C43 C42 C41 120.6(5) . . ?
C43 C42 H42 119.7 . . ?
C41 C42 H42 119.7 . . ?
C44 C43 C42 120.3(5) . . ?
C44 C43 H43 119.9 . . ?
C42 C43 H43 119.9 . . ?
C43 C44 C45 119.9(5) . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
C44 C45 C46 120.5(5) . . ?
C44 C45 H45 119.7 . . ?
C46 C45 H45 119.7 . . ?
C45 C46 C41 120.6(5) . . ?
C45 C46 H46 119.7 . . ?
C41 C46 H46 119.7 . . ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 As1 O1 C1 -83.7(3) . . . . ?
Ru1 As1 O1 C1 17.3(3) . . . . ?
Au1 As1 O1 C1 170.4(3) . . . . ?
O1 As1 O2 C6 95.1(3) . . . . ?
Ru1 As1 O2 C6 -5.3(3) . . . . ?
Au1 As1 O2 C6 -161.0(3) . . . . ?
As1 O1 C1 N1 -11.1(5) . . . . ?
As1 O1 C1 C2 168.5(3) . . . . ?
C5 N1 C1 O1 174.8(4) . . . . ?
Ru1 N1 C1 O1 -2.6(5) . . . . ?
C5 N1 C1 C2 -4.8(6) . . . . ?
Ru1 N1 C1 C2 177.7(3) . . . . ?
O1 C1 C2 C3 -175.6(4) . . . . ?
N1 C1 C2 C3 4.1(7) . . . . ?
C1 C2 C3 C4 -0.5(7) . . . . ?
C2 C3 C4 C5 -2.0(8) . . . . ?
C1 N1 C5 C4 2.2(6) . . . . ?
Ru1 N1 C5 C4 179.6(4) . . . . ?
C3 C4 C5 N1 1.2(8) . . . . ?
C10 N2 C6 O2 175.1(4) . . . . ?
Ru1 N2 C6 O2 -9.7(6) . . . . ?
C10 N2 C6 C7 -1.5(7) . . . . ?
Ru1 N2 C6 C7 173.7(4) . . . . ?
As1 O2 C6 N2 9.8(6) . . . . ?
As1 O2 C6 C7 -173.4(4) . . . . ?
N2 C6 C7 C8 2.2(8) . . . . ?
O2 C6 C7 C8 -174.5(5) . . . . ?
C6 C7 C8 C9 -1.0(8) . . . . ?
C7 C8 C9 C10 -0.7(9) . . . . ?
C6 N2 C10 C9 -0.3(7) . . . . ?
Ru1 N2 C10 C9 -175.4(4) . . . . ?
C8 C9 C10 N2 1.4(8) . . . . ?
C17 P1 C11 C12 -12.5(4) . . . . ?
C23 P1 C11 C12 -115.8(3) . . . . ?
Ru1 P1 C11 C12 121.7(3) . . . . ?
C17 P1 C11 C16 171.7(3) . . . . ?
C23 P1 C11 C16 68.3(3) . . . . ?
Ru1 P1 C11 C16 -54.2(3) . . . . ?
C16 C11 C12 C13 1.7(6) . . . . ?
P1 C11 C12 C13 -174.3(3) . . . . ?
C11 C12 C13 C14 -0.8(7) . . . . ?
C12 C13 C14 C15 -0.7(7) . . . . ?
C13 C14 C15 C16 1.1(6) . . . . ?
C14 C15 C16 C11 -0.1(6) . . . . ?
C12 C11 C16 C15 -1.3(5) . . . . ?
P1 C11 C16 C15 174.8(3) . . . . ?
C23 P1 C17 C22 -170.3(3) . . . . ?
C11 P1 C17 C22 83.3(3) . . . . ?
Ru1 P1 C17 C22 -47.8(4) . . . . ?
C23 P1 C17 C18 18.2(4) . . . . ?
C11 P1 C17 C18 -88.2(4) . . . . ?
Ru1 P1 C17 C18 140.6(3) . . . . ?
C22 C17 C18 C19 0.2(6) . . . . ?
P1 C17 C18 C19 171.8(4) . . . . ?
C17 C18 C19 C20 -0.7(7) . . . . ?
C18 C19 C20 C21 0.6(7) . . . . ?
C19 C20 C21 C22 0.0(7) . . . . ?
C18 C17 C22 C21 0.4(7) . . . . ?
P1 C17 C22 C21 -171.6(4) . . . . ?
C20 C21 C22 C17 -0.5(7) . . . . ?
C17 P1 C23 C28 -122.4(4) . . . . ?
C11 P1 C23 C28 -19.3(4) . . . . ?
Ru1 P1 C23 C28 107.4(3) . . . . ?
C17 P1 C23 C24 56.5(4) . . . . ?
C11 P1 C23 C24 159.6(3) . . . . ?
Ru1 P1 C23 C24 -73.6(3) . . . . ?
C28 C23 C24 C25 0.8(7) . . . . ?
P1 C23 C24 C25 -178.2(4) . . . . ?
C23 C24 C25 C26 -2.4(8) . . . . ?
C24 C25 C26 C27 1.9(8) . . . . ?
C25 C26 C27 C28 0.1(8) . . . . ?
C24 C23 C28 C27 1.2(7) . . . . ?
P1 C23 C28 C27 -179.8(4) . . . . ?
C26 C27 C28 C23 -1.7(8) . . . . ?
C35 P2 C29 C30 -135.2(4) . . . . ?
C41 P2 C29 C30 -32.1(4) . . . . ?
Ru1 P2 C29 C30 101.3(4) . . . . ?
C35 P2 C29 C34 50.4(4) . . . . ?
C41 P2 C29 C34 153.6(3) . . . . ?
Ru1 P2 C29 C34 -73.1(3) . . . . ?
C34 C29 C30 C31 0.5(7) . . . . ?
P2 C29 C30 C31 -173.9(4) . . . . ?
C29 C30 C31 C32 0.7(9) . . . . ?
C30 C31 C32 C33 -1.1(9) . . . . ?
C31 C32 C33 C34 0.4(8) . . . . ?
C32 C33 C34 C29 0.8(7) . . . . ?
C30 C29 C34 C33 -1.3(7) . . . . ?
P2 C29 C34 C33 173.3(4) . . . . ?
C29 P2 C35 C36 -162.0(3) . . . . ?
C41 P2 C35 C36 95.7(3) . . . . ?
Ru1 P2 C35 C36 -43.1(4) . . . . ?
C29 P2 C35 C40 21.7(4) . . . . ?
C41 P2 C35 C40 -80.7(4) . . . . ?
Ru1 P2 C35 C40 140.6(4) . . . . ?
C40 C35 C36 C37 0.1(6) . . . . ?
P2 C35 C36 C37 -176.4(3) . . . . ?
C35 C36 C37 C38 -1.0(7) . . . . ?
C36 C37 C38 C39 1.4(8) . . . . ?
C37 C38 C39 C40 -1.0(9) . . . . ?
C36 C35 C40 C39 0.3(7) . . . . ?
P2 C35 C40 C39 176.6(4) . . . . ?
C38 C39 C40 C35 0.2(9) . . . . ?
C35 P2 C41 C42 8.8(4) . . . . ?
C29 P2 C41 C42 -95.7(4) . . . . ?
Ru1 P2 C41 C42 141.9(3) . . . . ?
C35 P2 C41 C46 -176.6(3) . . . . ?
C29 P2 C41 C46 78.8(4) . . . . ?
Ru1 P2 C41 C46 -43.5(4) . . . . ?
C46 C41 C42 C43 0.3(6) . . . . ?
P2 C41 C42 C43 175.0(3) . . . . ?
C41 C42 C43 C44 -1.2(7) . . . . ?
C42 C43 C44 C45 0.5(8) . . . . ?
C43 C44 C45 C46 1.1(8) . . . . ?
C44 C45 C46 C41 -2.0(8) . . . . ?
C42 C41 C46 C45 1.3(7) . . . . ?
P2 C41 C46 C45 -173.5(4) . . . . ?

_refine_diff_density_max         1.274
_refine_diff_density_min         -1.207
_refine_diff_density_rms         0.122



