# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2019

####################################################################### 
# 
# 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_mo_FMTest3_0m_a
_database_code_depnum_ccdc_archive 'CCDC 1901384'
loop_
_audit_author_name
_audit_author_address
'Frederick Malan'
;University of Pretoria
South Africa
;
_audit_update_record             
;
2019-03-06 deposited with the CCDC.	2019-05-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C15.50 H16 I1.50 N P0.50 Ru0.50'
_chemical_formula_weight         472.66

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'
I I -0.4742 1.8119 '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'
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'

_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                   9.4358(17)
_cell_length_b                   9.7889(19)
_cell_length_c                   18.948(4)
_cell_angle_alpha                91.365(6)
_cell_angle_beta                 94.352(6)
_cell_angle_gamma                114.451(5)
_cell_volume                     1585.6(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9294
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      26.50

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.980
_exptl_crystal_F_000             900
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.195
_exptl_crystal_size_mid          0.149
_exptl_crystal_size_min          0.115
_exptl_absorpt_coefficient_mu    3.488
_shelx_estimated_absorpt_T_min   0.549
_shelx_estimated_absorpt_T_max   0.690
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.4039
_exptl_absorpt_correction_T_max  0.4908
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1280 before and 0.0455 after correction.
The Ratio of minimum to maximum transmission is 0.8229.
The λ/2 correction factor is Not present.
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            46935
_diffrn_reflns_av_unetI/netI     0.0233
_diffrn_reflns_av_R_equivalents  0.0385
_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       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.160
_diffrn_reflns_theta_max         26.879
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6706
_reflns_number_gt                5866
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0123P)²+2.2591P] 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         6706
_refine_ls_number_parameters     348
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0286
_refine_ls_R_factor_gt           0.0218
_refine_ls_wR_factor_ref         0.0467
_refine_ls_wR_factor_gt          0.0444
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.002
_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
I1 I 0.66371(2) 0.83399(2) 0.96277(2) 0.03665(6) Uani 1 1 d . . . . .
I2 I 1.0000 1.0000 1.0000 0.02399(6) Uani 1 2 d S . P . .
I3 I 0.5000 0.5000 0.5000 0.03272(7) Uani 1 2 d S . P . .
I4 I 0.74737(2) 0.79559(3) 0.47721(2) 0.04206(6) Uani 1 1 d . . . . .
Ru1 Ru 0.10354(2) 0.80561(2) 0.75065(2) 0.01571(5) Uani 1 1 d . . . . .
P1 P 0.04572(7) 0.55633(7) 0.77023(3) 0.01453(13) Uani 1 1 d . . . . .
N1 N 0.4111(2) 0.8482(2) 0.70394(12) 0.0225(5) Uani 1 1 d . . . . .
N2 N 0.2453(3) 0.7551(3) 0.61291(12) 0.0242(5) Uani 1 1 d . . . . .
C1 C 0.4951(3) 0.8363(3) 0.64955(17) 0.0323(7) Uani 1 1 d . . . . .
H1 H 0.6020 0.8620 0.6521 0.039 Uiso 1 1 calc R U . . .
C2 C 0.2567(3) 0.7973(3) 0.68262(14) 0.0204(5) Uani 1 1 d . . . . .
C3 C 0.3919(4) 0.7801(3) 0.59230(17) 0.0335(7) Uani 1 1 d . . . . .
H3 H 0.4143 0.7613 0.5471 0.040 Uiso 1 1 calc R U . . .
C4 C 0.4597(3) 0.8883(3) 0.77916(16) 0.0280(6) Uani 1 1 d . . . . .
H4A H 0.5625 0.9712 0.7857 0.034 Uiso 1 1 calc R U . . .
H4B H 0.4642 0.8032 0.8029 0.034 Uiso 1 1 calc R U . . .
C5 C 0.3389(3) 0.9338(3) 0.80993(15) 0.0240(6) Uani 1 1 d . . . . .
C6 C 0.2381(3) 0.8408(3) 0.85625(14) 0.0242(6) Uani 1 1 d . . . . .
H6A H 0.2087 0.8907 0.8935 0.029 Uiso 1 1 calc R U . . .
H6B H 0.2597 0.7573 0.8722 0.029 Uiso 1 1 calc R U . . .
C7 C 0.3906(4) 1.1024(3) 0.81644(18) 0.0369(7) Uani 1 1 d . . . . .
H7A H 0.4091 1.1421 0.7705 0.055 Uiso 1 1 calc R U . . .
H7B H 0.4852 1.1476 0.8476 0.055 Uiso 1 1 calc R U . . .
H7C H 0.3104 1.1245 0.8353 0.055 Uiso 1 1 calc R U . . .
C8 C 0.1010(4) 0.6875(4) 0.56549(16) 0.0355(7) Uani 1 1 d . . . . .
H8A H 0.0778 0.7654 0.5449 0.053 Uiso 1 1 calc R U . . .
H8B H 0.0166 0.6266 0.5919 0.053 Uiso 1 1 calc R U . . .
H8C H 0.1139 0.6260 0.5285 0.053 Uiso 1 1 calc R U . . .
C9 C 0.0072(3) 0.9207(3) 0.67089(15) 0.0286(6) Uani 1 1 d . . . . .
H9 H 0.0437 0.9487 0.6241 0.034 Uiso 1 1 calc R U . . .
C10 C -0.1139(3) 0.7826(3) 0.68591(15) 0.0271(6) Uani 1 1 d . . . . .
H10 H -0.1774 0.6998 0.6513 0.032 Uiso 1 1 calc R U . . .
C11 C -0.1385(3) 0.7928(3) 0.75935(15) 0.0276(6) Uani 1 1 d . . . . .
H11 H -0.2208 0.7175 0.7839 0.033 Uiso 1 1 calc R U . . .
C12 C -0.0306(4) 0.9347(3) 0.78843(16) 0.0309(7) Uani 1 1 d . . . . .
H12 H -0.0239 0.9749 0.8370 0.037 Uiso 1 1 calc R U . . .
C13 C 0.0595(4) 1.0141(3) 0.73338(17) 0.0321(7) Uani 1 1 d . . . . .
H13 H 0.1390 1.1181 0.7377 0.038 Uiso 1 1 calc R U . . .
C14 C -0.0637(3) 0.4807(3) 0.84711(13) 0.0183(5) Uani 1 1 d . . . . .
C15 C -0.0955(3) 0.5723(3) 0.89497(14) 0.0219(6) Uani 1 1 d . . . . .
H15 H -0.0589 0.6749 0.8889 0.026 Uiso 1 1 calc R U . . .
C16 C -0.1818(3) 0.5113(4) 0.95192(15) 0.0295(6) Uani 1 1 d . . . . .
H16 H -0.2039 0.5730 0.9832 0.035 Uiso 1 1 calc R U . . .
C17 C -0.2346(3) 0.3597(4) 0.96189(15) 0.0319(7) Uani 1 1 d . . . . .
H17 H -0.2917 0.3193 1.0000 0.038 Uiso 1 1 calc R U . . .
C18 C -0.2025(3) 0.2672(3) 0.91489(16) 0.0308(7) Uani 1 1 d . . . . .
H18 H -0.2376 0.1651 0.9219 0.037 Uiso 1 1 calc R U . . .
C19 C -0.1183(3) 0.3268(3) 0.85761(15) 0.0246(6) Uani 1 1 d . . . . .
H19 H -0.0981 0.2643 0.8261 0.029 Uiso 1 1 calc R U . . .
C20 C -0.0834(3) 0.4136(3) 0.70142(13) 0.0174(5) Uani 1 1 d . . . . .
C21 C -0.0446(3) 0.3106(3) 0.66443(14) 0.0236(6) Uani 1 1 d . . . . .
H21 H 0.0558 0.3149 0.6718 0.028 Uiso 1 1 calc R U . . .
C22 C -0.1553(4) 0.2015(3) 0.61658(15) 0.0306(7) Uani 1 1 d . . . . .
H22 H -0.1279 0.1339 0.5921 0.037 Uiso 1 1 calc R U . . .
C23 C -0.3052(3) 0.1928(3) 0.60514(15) 0.0304(7) Uani 1 1 d . . . . .
H23 H -0.3783 0.1201 0.5729 0.036 Uiso 1 1 calc R U . . .
C24 C -0.3458(3) 0.2928(3) 0.64193(16) 0.0302(7) Uani 1 1 d . . . . .
H24 H -0.4469 0.2867 0.6349 0.036 Uiso 1 1 calc R U . . .
C25 C -0.2359(3) 0.4023(3) 0.68929(15) 0.0253(6) Uani 1 1 d . . . . .
H25 H -0.2643 0.4696 0.7135 0.030 Uiso 1 1 calc R U . . .
C26 C 0.2146(3) 0.5093(3) 0.78463(13) 0.0160(5) Uani 1 1 d . . . . .
C27 C 0.3058(3) 0.5144(3) 0.72904(14) 0.0197(5) Uani 1 1 d . . . . .
H27 H 0.2756 0.5333 0.6838 0.024 Uiso 1 1 calc R U . . .
C28 C 0.4413(3) 0.4916(3) 0.74097(16) 0.0250(6) Uani 1 1 d . . . . .
H28 H 0.5009 0.4944 0.7036 0.030 Uiso 1 1 calc R U . . .
C29 C 0.4879(3) 0.4645(3) 0.80820(16) 0.0262(6) Uani 1 1 d . . . . .
H29 H 0.5796 0.4509 0.8162 0.031 Uiso 1 1 calc R U . . .
C30 C 0.3981(3) 0.4576(3) 0.86371(15) 0.0237(6) Uani 1 1 d . . . . .
H30 H 0.4291 0.4387 0.9088 0.028 Uiso 1 1 calc R U . . .
C31 C 0.2617(3) 0.4788(3) 0.85198(14) 0.0197(5) Uani 1 1 d . . . . .
H31 H 0.2011 0.4727 0.8893 0.024 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
I1 I2 2.9230(5) . ?
I2 I1 2.9230(5) 2_777 ?
I3 I4 2.9375(5) . ?
I3 I4 2.9375(5) 2_666 ?
Ru1 C2 2.033(3) . ?
Ru1 C6 2.226(3) . ?
Ru1 C10 2.233(3) . ?
Ru1 C5 2.240(3) . ?
Ru1 C11 2.254(3) . ?
Ru1 C9 2.258(3) . ?
Ru1 C12 2.265(3) . ?
Ru1 C13 2.271(3) . ?
Ru1 P1 2.3155(8) . ?
P1 C26 1.837(2) . ?
P1 C14 1.839(3) . ?
P1 C20 1.844(3) . ?
N1 C2 1.354(3) . ?
N1 C1 1.378(4) . ?
N1 C4 1.456(4) . ?
N2 C2 1.357(3) . ?
N2 C3 1.390(4) . ?
N2 C8 1.463(4) . ?
C1 C3 1.340(5) . ?
C1 H1 0.9300 . ?
C3 H3 0.9300 . ?
C4 C5 1.531(4) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.397(4) . ?
C5 C7 1.514(4) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C13 1.403(4) . ?
C9 C10 1.415(4) . ?
C9 H9 0.9800 . ?
C10 C11 1.436(4) . ?
C10 H10 0.9800 . ?
C11 C12 1.405(4) . ?
C11 H11 0.9800 . ?
C12 C13 1.429(4) . ?
C12 H12 0.9800 . ?
C13 H13 0.9800 . ?
C14 C15 1.393(4) . ?
C14 C19 1.401(4) . ?
C15 C16 1.395(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.379(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.390(4) . ?
C17 H17 0.9300 . ?
C18 C19 1.388(4) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.397(4) . ?
C20 C25 1.398(4) . ?
C21 C22 1.393(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.381(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.382(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.386(4) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C27 1.399(4) . ?
C26 C31 1.399(4) . ?
C27 C28 1.390(4) . ?
C27 H27 0.9300 . ?
C28 C29 1.383(4) . ?
C28 H28 0.9300 . ?
C29 C30 1.386(4) . ?
C29 H29 0.9300 . ?
C30 C31 1.388(4) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?

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
I1 I2 I1 180.0 2_777 . ?
I4 I3 I4 180.0 . 2_666 ?
C2 Ru1 C6 102.98(11) . . ?
C2 Ru1 C10 107.64(11) . . ?
C6 Ru1 C10 149.34(11) . . ?
C2 Ru1 C5 75.77(11) . . ?
C6 Ru1 C5 36.47(10) . . ?
C10 Ru1 C5 154.65(10) . . ?
C2 Ru1 C11 144.94(11) . . ?
C6 Ru1 C11 112.08(11) . . ?
C10 Ru1 C11 37.33(10) . . ?
C5 Ru1 C11 135.13(11) . . ?
C2 Ru1 C9 90.66(10) . . ?
C6 Ru1 C9 142.93(11) . . ?
C10 Ru1 C9 36.72(11) . . ?
C5 Ru1 C9 119.87(11) . . ?
C11 Ru1 C9 61.31(10) . . ?
C2 Ru1 C12 145.97(11) . . ?
C6 Ru1 C12 91.89(11) . . ?
C10 Ru1 C12 61.36(11) . . ?
C5 Ru1 C12 101.31(11) . . ?
C11 Ru1 C12 36.24(11) . . ?
C9 Ru1 C12 60.89(11) . . ?
C2 Ru1 C13 109.24(11) . . ?
C6 Ru1 C13 107.18(11) . . ?
C10 Ru1 C13 61.02(11) . . ?
C5 Ru1 C13 93.89(11) . . ?
C11 Ru1 C13 60.94(11) . . ?
C9 Ru1 C13 36.08(11) . . ?
C12 Ru1 C13 36.73(11) . . ?
C2 Ru1 P1 87.51(7) . . ?
C6 Ru1 P1 81.86(7) . . ?
C10 Ru1 P1 100.84(8) . . ?
C5 Ru1 P1 104.42(7) . . ?
C11 Ru1 P1 97.05(8) . . ?
C9 Ru1 P1 133.69(8) . . ?
C12 Ru1 P1 125.22(8) . . ?
C13 Ru1 P1 157.90(8) . . ?
C26 P1 C14 102.82(11) . . ?
C26 P1 C20 103.44(11) . . ?
C14 P1 C20 98.81(12) . . ?
C26 P1 Ru1 115.74(8) . . ?
C14 P1 Ru1 116.20(9) . . ?
C20 P1 Ru1 117.36(8) . . ?
C2 N1 C1 111.7(2) . . ?
C2 N1 C4 117.6(2) . . ?
C1 N1 C4 130.2(2) . . ?
C2 N2 C3 110.2(2) . . ?
C2 N2 C8 126.1(2) . . ?
C3 N2 C8 123.6(2) . . ?
C3 C1 N1 106.3(3) . . ?
C3 C1 H1 126.9 . . ?
N1 C1 H1 126.9 . . ?
N1 C2 N2 104.4(2) . . ?
N1 C2 Ru1 120.81(19) . . ?
N2 C2 Ru1 134.77(19) . . ?
C1 C3 N2 107.4(3) . . ?
C1 C3 H3 126.3 . . ?
N2 C3 H3 126.3 . . ?
N1 C4 C5 107.4(2) . . ?
N1 C4 H4A 110.2 . . ?
C5 C4 H4A 110.2 . . ?
N1 C4 H4B 110.2 . . ?
C5 C4 H4B 110.2 . . ?
H4A C4 H4B 108.5 . . ?
C6 C5 C7 120.7(3) . . ?
C6 C5 C4 119.6(2) . . ?
C7 C5 C4 113.0(2) . . ?
C6 C5 Ru1 71.22(15) . . ?
C7 C5 Ru1 114.61(19) . . ?
C4 C5 Ru1 109.86(17) . . ?
C5 C6 Ru1 72.31(15) . . ?
C5 C6 H6A 116.3 . . ?
Ru1 C6 H6A 116.3 . . ?
C5 C6 H6B 116.3 . . ?
Ru1 C6 H6B 116.3 . . ?
H6A C6 H6B 113.3 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 H8A 109.5 . . ?
N2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C13 C9 C10 108.5(3) . . ?
C13 C9 Ru1 72.46(15) . . ?
C10 C9 Ru1 70.67(15) . . ?
C13 C9 H9 125.7 . . ?
C10 C9 H9 125.7 . . ?
Ru1 C9 H9 125.7 . . ?
C9 C10 C11 107.6(3) . . ?
C9 C10 Ru1 72.60(16) . . ?
C11 C10 Ru1 72.11(15) . . ?
C9 C10 H10 126.0 . . ?
C11 C10 H10 126.0 . . ?
Ru1 C10 H10 126.0 . . ?
C12 C11 C10 107.8(3) . . ?
C12 C11 Ru1 72.32(16) . . ?
C10 C11 Ru1 70.57(15) . . ?
C12 C11 H11 126.0 . . ?
C10 C11 H11 126.0 . . ?
Ru1 C11 H11 126.0 . . ?
C11 C12 C13 108.1(3) . . ?
C11 C12 Ru1 71.44(15) . . ?
C13 C12 Ru1 71.87(16) . . ?
C11 C12 H12 125.9 . . ?
C13 C12 H12 125.9 . . ?
Ru1 C12 H12 125.9 . . ?
C9 C13 C12 108.1(3) . . ?
C9 C13 Ru1 71.46(15) . . ?
C12 C13 Ru1 71.40(15) . . ?
C9 C13 H13 125.9 . . ?
C12 C13 H13 125.9 . . ?
Ru1 C13 H13 125.9 . . ?
C15 C14 C19 118.9(2) . . ?
C15 C14 P1 121.7(2) . . ?
C19 C14 P1 119.4(2) . . ?
C14 C15 C16 120.5(3) . . ?
C14 C15 H15 119.8 . . ?
C16 C15 H15 119.8 . . ?
C17 C16 C15 120.1(3) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 120.0(3) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C19 C18 C17 120.2(3) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C18 C19 C14 120.3(3) . . ?
C18 C19 H19 119.9 . . ?
C14 C19 H19 119.9 . . ?
C21 C20 C25 118.0(2) . . ?
C21 C20 P1 125.51(19) . . ?
C25 C20 P1 116.3(2) . . ?
C22 C21 C20 120.4(3) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C23 C22 C21 120.7(3) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 119.6(3) . . ?
C22 C23 H23 120.2 . . ?
C24 C23 H23 120.2 . . ?
C23 C24 C25 120.1(3) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 C20 121.3(3) . . ?
C24 C25 H25 119.4 . . ?
C20 C25 H25 119.4 . . ?
C27 C26 C31 118.6(2) . . ?
C27 C26 P1 120.11(19) . . ?
C31 C26 P1 121.13(19) . . ?
C28 C27 C26 120.5(2) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C29 C28 C27 120.2(3) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C28 C29 C30 120.1(2) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 C31 120.0(3) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 C26 120.7(2) . . ?
C30 C31 H31 119.7 . . ?
C26 C31 H31 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
C2 N1 C1 C3 1.5(3) . . . . ?
C4 N1 C1 C3 173.3(3) . . . . ?
C1 N1 C2 N2 -1.0(3) . . . . ?
C4 N1 C2 N2 -173.9(2) . . . . ?
C1 N1 C2 Ru1 -178.41(18) . . . . ?
C4 N1 C2 Ru1 8.7(3) . . . . ?
C3 N2 C2 N1 0.1(3) . . . . ?
C8 N2 C2 N1 177.9(2) . . . . ?
C3 N2 C2 Ru1 177.0(2) . . . . ?
C8 N2 C2 Ru1 -5.2(4) . . . . ?
N1 C1 C3 N2 -1.4(3) . . . . ?
C2 N2 C3 C1 0.8(3) . . . . ?
C8 N2 C3 C1 -177.1(3) . . . . ?
C2 N1 C4 C5 -26.8(3) . . . . ?
C1 N1 C4 C5 161.8(3) . . . . ?
N1 C4 C5 C6 110.1(3) . . . . ?
N1 C4 C5 C7 -98.4(3) . . . . ?
N1 C4 C5 Ru1 30.9(3) . . . . ?
C7 C5 C6 Ru1 108.0(2) . . . . ?
C4 C5 C6 Ru1 -102.7(2) . . . . ?
C13 C9 C10 C11 1.1(3) . . . . ?
Ru1 C9 C10 C11 64.09(18) . . . . ?
C13 C9 C10 Ru1 -62.99(19) . . . . ?
C9 C10 C11 C12 -1.2(3) . . . . ?
Ru1 C10 C11 C12 63.18(19) . . . . ?
C9 C10 C11 Ru1 -64.41(18) . . . . ?
C10 C11 C12 C13 0.9(3) . . . . ?
Ru1 C11 C12 C13 62.95(19) . . . . ?
C10 C11 C12 Ru1 -62.05(18) . . . . ?
C10 C9 C13 C12 -0.5(3) . . . . ?
Ru1 C9 C13 C12 -62.40(19) . . . . ?
C10 C9 C13 Ru1 61.85(19) . . . . ?
C11 C12 C13 C9 -0.2(3) . . . . ?
Ru1 C12 C13 C9 62.44(19) . . . . ?
C11 C12 C13 Ru1 -62.67(19) . . . . ?
C26 P1 C14 C15 121.0(2) . . . . ?
C20 P1 C14 C15 -133.0(2) . . . . ?
Ru1 P1 C14 C15 -6.5(2) . . . . ?
C26 P1 C14 C19 -59.8(2) . . . . ?
C20 P1 C14 C19 46.3(2) . . . . ?
Ru1 P1 C14 C19 172.76(17) . . . . ?
C19 C14 C15 C16 -0.7(4) . . . . ?
P1 C14 C15 C16 178.5(2) . . . . ?
C14 C15 C16 C17 0.9(4) . . . . ?
C15 C16 C17 C18 -0.3(4) . . . . ?
C16 C17 C18 C19 -0.4(4) . . . . ?
C17 C18 C19 C14 0.6(4) . . . . ?
C15 C14 C19 C18 -0.1(4) . . . . ?
P1 C14 C19 C18 -179.3(2) . . . . ?
C26 P1 C20 C21 -7.7(3) . . . . ?
C14 P1 C20 C21 -113.3(2) . . . . ?
Ru1 P1 C20 C21 121.1(2) . . . . ?
C26 P1 C20 C25 167.8(2) . . . . ?
C14 P1 C20 C25 62.2(2) . . . . ?
Ru1 P1 C20 C25 -63.4(2) . . . . ?
C25 C20 C21 C22 0.6(4) . . . . ?
P1 C20 C21 C22 176.0(2) . . . . ?
C20 C21 C22 C23 -0.3(4) . . . . ?
C21 C22 C23 C24 -0.4(4) . . . . ?
C22 C23 C24 C25 0.8(4) . . . . ?
C23 C24 C25 C20 -0.5(4) . . . . ?
C21 C20 C25 C24 -0.2(4) . . . . ?
P1 C20 C25 C24 -176.0(2) . . . . ?
C14 P1 C26 C27 164.0(2) . . . . ?
C20 P1 C26 C27 61.6(2) . . . . ?
Ru1 P1 C26 C27 -68.2(2) . . . . ?
C14 P1 C26 C31 -20.7(2) . . . . ?
C20 P1 C26 C31 -123.2(2) . . . . ?
Ru1 P1 C26 C31 107.02(19) . . . . ?
C31 C26 C27 C28 -0.8(4) . . . . ?
P1 C26 C27 C28 174.51(19) . . . . ?
C26 C27 C28 C29 -0.5(4) . . . . ?
C27 C28 C29 C30 1.1(4) . . . . ?
C28 C29 C30 C31 -0.4(4) . . . . ?
C29 C30 C31 C26 -0.9(4) . . . . ?
C27 C26 C31 C30 1.5(4) . . . . ?
P1 C26 C31 C30 -173.79(19) . . . . ?

_refine_diff_density_max         1.310
_refine_diff_density_min         -1.272
_refine_diff_density_rms         0.085

_shelxl_version_number           2013-3

####################################################################### 
# 
# 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_mo_FMR42_2_0m_a
_database_code_depnum_ccdc_archive 'CCDC 1901388'
loop_
_audit_author_name
_audit_author_address
'Frederick Malan'
;University of Pretoria
South Africa
;
_audit_update_record             
;
2019-03-06 deposited with the CCDC.	2019-05-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H38 Cl2 F6 N2 P2 Ru'
_chemical_formula_weight         870.61

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'
F F 0.0171 0.0103 '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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.8600(6)
_cell_length_b                   13.9831(7)
_cell_length_c                   18.9389(9)
_cell_angle_alpha                90
_cell_angle_beta                 93.545(2)
_cell_angle_gamma                90
_cell_volume                     3663.4(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9645
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      26.40

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_F_000             1768
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.386
_exptl_crystal_size_mid          0.287
_exptl_crystal_size_min          0.220
_exptl_absorpt_coefficient_mu    0.723
_shelx_estimated_absorpt_T_min   0.768
_shelx_estimated_absorpt_T_max   0.857
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7111
_exptl_absorpt_correction_T_max  0.7784
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0901 before and 0.0399 after correction.
The Ratio of minimum to maximum transmission is 0.9135.
The λ/2 correction factor is Not present.
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            113210
_diffrn_reflns_av_unetI/netI     0.0207
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.155
_diffrn_reflns_theta_max         26.515
_diffrn_reflns_theta_full        25.242
_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             7590
_reflns_number_gt                6271
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1000P)²] 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         7590
_refine_ls_number_parameters     461
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0678
_refine_ls_R_factor_gt           0.0532
_refine_ls_wR_factor_ref         0.1895
_refine_ls_wR_factor_gt          0.1780
_refine_ls_goodness_of_fit_ref   1.535
_refine_ls_restrained_S_all      1.535
_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
Ru1 Ru 0.13459(2) 0.74539(2) 0.56363(2) 0.02136(15) Uani 1 1 d . . . . .
Cl39 Cl 0.60243(11) 0.89810(11) 0.63830(7) 0.0617(4) Uani 1 1 d . . . . .
Cl40 Cl 0.5473(2) 0.8643(2) 0.77942(12) 0.1271(9) Uani 1 1 d . . . . .
P1 P 0.15603(6) 0.87352(7) 0.63906(5) 0.0208(2) Uani 1 1 d . . . . .
P2 P 0.25992(8) 0.37506(9) 0.40267(6) 0.0414(3) Uani 1 1 d . . . . .
F1 F 0.3393(3) 0.3662(4) 0.3477(2) 0.1169(18) Uani 1 1 d . . . . .
F2 F 0.2057(3) 0.2825(3) 0.3732(3) 0.1077(16) Uani 1 1 d . . . . .
F3 F 0.1941(3) 0.4322(4) 0.3468(2) 0.1101(15) Uani 1 1 d . . . . .
F4 F 0.1781(3) 0.3837(3) 0.4577(2) 0.0989(13) Uani 1 1 d . . . . .
F5 F 0.3086(4) 0.4667(3) 0.4326(3) 0.1265(18) Uani 1 1 d . . . . .
F6 F 0.3258(2) 0.3124(3) 0.45529(17) 0.0730(9) Uani 1 1 d . . . . .
N1 N 0.2944(2) 0.6340(2) 0.63372(16) 0.0272(7) Uani 1 1 d . . . . .
N2 N 0.3626(2) 0.7326(2) 0.56694(19) 0.0275(7) Uani 1 1 d . . . . .
C1 C 0.3914(3) 0.6142(3) 0.6405(2) 0.0382(10) Uani 1 1 d . . . . .
H1 H 0.4218 0.5659 0.6693 0.046 Uiso 1 1 calc R U . . .
C2 C 0.2747(2) 0.7064(3) 0.58813(18) 0.0238(8) Uani 1 1 d . . . . .
C3 C 0.4352(3) 0.6754(3) 0.5990(2) 0.0385(10) Uani 1 1 d . . . . .
H3 H 0.5025 0.6792 0.5926 0.046 Uiso 1 1 calc R U . . .
C4 C 0.2153(3) 0.5963(3) 0.67305(19) 0.0311(9) Uani 1 1 d . . . . .
H4A H 0.2141 0.6285 0.7195 0.037 Uiso 1 1 calc R U . . .
H4B H 0.2242 0.5268 0.6812 0.037 Uiso 1 1 calc R U . . .
C5 C 0.1217(3) 0.6145(3) 0.62977(19) 0.0274(8) Uani 1 1 d . . . . .
C6 C 0.0570(3) 0.6845(3) 0.6522(2) 0.0283(8) Uani 1 1 d . . . . .
H6A H 0.0724 0.7128 0.6995 0.034 Uiso 1 1 calc R U . . .
H6B H -0.0127 0.6712 0.6425 0.034 Uiso 1 1 calc R U . . .
C7 C 0.0825(3) 0.5263(3) 0.5906(2) 0.0429(11) Uani 1 1 d . . . . .
H7A H 0.0208 0.5419 0.5651 0.064 Uiso 1 1 calc R U . . .
H7B H 0.0726 0.4749 0.6246 0.064 Uiso 1 1 calc R U . . .
H7C H 0.1288 0.5052 0.5567 0.064 Uiso 1 1 calc R U . . .
C8 C 0.3831(3) 0.8086(3) 0.5170(2) 0.0293(8) Uani 1 1 d . . . . .
H8A H 0.4466 0.8372 0.5314 0.035 Uiso 1 1 calc R U . . .
H8B H 0.3336 0.8593 0.5200 0.035 Uiso 1 1 calc R U . . .
C9 C 0.3843(3) 0.7758(3) 0.4416(2) 0.0310(9) Uani 1 1 d . . . . .
C10 C 0.3726(3) 0.8458(3) 0.3887(2) 0.0342(9) Uani 1 1 d . . . . .
H10 H 0.3644 0.9108 0.4017 0.041 Uiso 1 1 calc R U . . .
C11 C 0.3727(3) 0.8213(4) 0.3174(2) 0.0416(12) Uani 1 1 d . . . . .
H11 H 0.3661 0.8693 0.2819 0.050 Uiso 1 1 calc R U . . .
C12 C 0.3825(3) 0.7270(4) 0.2989(3) 0.0436(12) Uani 1 1 d . . . . .
H12 H 0.3813 0.7094 0.2504 0.052 Uiso 1 1 calc R U . . .
C13 C 0.3944(4) 0.6573(4) 0.3508(3) 0.0482(12) Uani 1 1 d . . . . .
H13 H 0.4012 0.5923 0.3374 0.058 Uiso 1 1 calc R U . . .
C14 C 0.3964(3) 0.6813(3) 0.4219(2) 0.0400(10) Uani 1 1 d . . . . .
H14 H 0.4060 0.6332 0.4570 0.048 Uiso 1 1 calc R U . . .
C15 C 0.0631(4) 0.6735(4) 0.4669(2) 0.0474(13) Uani 1 1 d . . . . .
H15 H 0.0483 0.6037 0.4623 0.057 Uiso 1 1 calc R U . . .
C16 C 0.1497(3) 0.7184(4) 0.4477(2) 0.0387(10) Uani 1 1 d . . . . .
H16 H 0.2054 0.6865 0.4262 0.046 Uiso 1 1 calc R U . . .
C17 C 0.1395(3) 0.8168(3) 0.4600(2) 0.0305(9) Uani 1 1 d . . . . .
H17 H 0.1863 0.8677 0.4477 0.037 Uiso 1 1 calc R U . . .
C18 C 0.0458(3) 0.8325(4) 0.4848(2) 0.0373(10) Uani 1 1 d . . . . .
H18 H 0.0163 0.8962 0.4939 0.045 Uiso 1 1 calc R U . . .
C19 C 0.0001(4) 0.7438(4) 0.4901(3) 0.0466(14) Uani 1 1 d . . . . .
H19 H -0.0674 0.7330 0.5041 0.056 Uiso 1 1 calc R U . . .
C20 C 0.2001(3) 0.8494(3) 0.73126(18) 0.0245(8) Uani 1 1 d . . . . .
C21 C 0.2908(3) 0.8097(3) 0.7459(2) 0.0331(9) Uani 1 1 d . . . . .
H21 H 0.3318 0.7969 0.7087 0.040 Uiso 1 1 calc R U . . .
C22 C 0.3219(3) 0.7885(3) 0.8166(2) 0.0408(11) Uani 1 1 d . . . . .
H22 H 0.3847 0.7627 0.8268 0.049 Uiso 1 1 calc R U . . .
C23 C 0.2626(3) 0.8046(3) 0.8704(2) 0.0432(11) Uani 1 1 d . . . . .
H23 H 0.2841 0.7898 0.9178 0.052 Uiso 1 1 calc R U . . .
C24 C 0.1726(3) 0.8420(3) 0.8562(2) 0.0401(11) Uani 1 1 d . . . . .
H24 H 0.1318 0.8537 0.8938 0.048 Uiso 1 1 calc R U . . .
C25 C 0.1399(3) 0.8631(3) 0.78643(19) 0.0291(8) Uani 1 1 d . . . . .
H25 H 0.0763 0.8869 0.7768 0.035 Uiso 1 1 calc R U . . .
C26 C 0.0474(2) 0.9440(3) 0.65235(18) 0.0242(8) Uani 1 1 d . . . . .
C27 C 0.0545(3) 1.0358(3) 0.68055(19) 0.0288(8) Uani 1 1 d . . . . .
H27 H 0.1164 1.0644 0.6889 0.035 Uiso 1 1 calc R U . . .
C28 C -0.0278(3) 1.0864(3) 0.6966(2) 0.0376(10) Uani 1 1 d . . . . .
H28 H -0.0222 1.1494 0.7152 0.045 Uiso 1 1 calc R U . . .
C29 C -0.1178(3) 1.0445(3) 0.6853(2) 0.0388(10) Uani 1 1 d . . . . .
H29 H -0.1739 1.0780 0.6978 0.047 Uiso 1 1 calc R U . . .
C30 C -0.1266(3) 0.9553(3) 0.6565(2) 0.0375(10) Uani 1 1 d . . . . .
H30 H -0.1889 0.9278 0.6483 0.045 Uiso 1 1 calc R U . . .
C31 C -0.0449(3) 0.9039(3) 0.6388(2) 0.0305(9) Uani 1 1 d . . . . .
H31 H -0.0518 0.8424 0.6179 0.037 Uiso 1 1 calc R U . . .
C32 C 0.2371(3) 0.9679(3) 0.61084(19) 0.0244(8) Uani 1 1 d . . . . .
C33 C 0.2086(3) 1.0183(3) 0.5488(2) 0.0298(8) Uani 1 1 d . . . . .
H33 H 0.1492 1.0029 0.5237 0.036 Uiso 1 1 calc R U . . .
C34 C 0.2665(3) 1.0904(3) 0.5237(2) 0.0381(10) Uani 1 1 d . . . . .
H34 H 0.2465 1.1244 0.4819 0.046 Uiso 1 1 calc R U . . .
C35 C 0.3546(3) 1.1127(3) 0.5604(3) 0.0419(11) Uani 1 1 d . . . . .
H35 H 0.3948 1.1615 0.5435 0.050 Uiso 1 1 calc R U . . .
C36 C 0.3815(3) 1.0647(3) 0.6197(2) 0.0416(11) Uani 1 1 d . . . . .
H36 H 0.4413 1.0800 0.6443 0.050 Uiso 1 1 calc R U . . .
C37 C 0.3239(3) 0.9927(3) 0.6462(2) 0.0306(9) Uani 1 1 d . . . . .
H37 H 0.3445 0.9605 0.6887 0.037 Uiso 1 1 calc R U . . .
C38 C 0.6377(5) 0.8620(6) 0.7262(3) 0.091(2) Uani 1 1 d . . . . .
H38A H 0.6642 0.7963 0.7251 0.110 Uiso 1 1 calc R U . . .
H38B H 0.6898 0.9049 0.7454 0.110 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
Ru1 C2 2.042(4) . ?
Ru1 C17 2.207(4) . ?
Ru1 C6 2.218(4) . ?
Ru1 C5 2.232(4) . ?
Ru1 C18 2.235(4) . ?
Ru1 C16 2.250(4) . ?
Ru1 C19 2.257(5) . ?
Ru1 C15 2.263(4) . ?
Ru1 P1 2.2993(10) . ?
Cl39 C38 1.778(6) . ?
Cl40 C38 1.657(7) . ?
P1 C26 1.830(4) . ?
P1 C32 1.834(4) . ?
P1 C20 1.845(4) . ?
P2 F5 1.539(4) . ?
P2 F1 1.565(3) . ?
P2 F3 1.571(4) . ?
P2 F6 1.576(3) . ?
P2 F2 1.581(4) . ?
P2 F4 1.591(3) . ?
N1 C2 1.348(5) . ?
N1 C1 1.372(5) . ?
N1 C4 1.461(5) . ?
N2 C2 1.357(5) . ?
N2 C3 1.395(5) . ?
N2 C8 1.461(5) . ?
C1 C3 1.332(6) . ?
C1 H1 0.9500 . ?
C3 H3 0.9500 . ?
C4 C5 1.512(5) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.411(5) . ?
C5 C7 1.522(5) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.501(6) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C14 1.386(6) . ?
C9 C10 1.403(6) . ?
C10 C11 1.394(6) . ?
C10 H10 0.9500 . ?
C11 C12 1.374(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.386(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.387(7) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C19 1.403(8) . ?
C15 C16 1.421(7) . ?
C15 H15 1.0000 . ?
C16 C17 1.405(6) . ?
C16 H16 1.0000 . ?
C17 C18 1.424(6) . ?
C17 H17 1.0000 . ?
C18 C19 1.399(7) . ?
C18 H18 1.0000 . ?
C19 H19 1.0000 . ?
C20 C21 1.386(5) . ?
C20 C25 1.390(5) . ?
C21 C22 1.412(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.368(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.364(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.401(5) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C27 1.392(5) . ?
C26 C31 1.406(5) . ?
C27 C28 1.391(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.383(6) . ?
C28 H28 0.9500 . ?
C29 C30 1.364(7) . ?
C29 H29 0.9500 . ?
C30 C31 1.399(6) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C37 1.385(5) . ?
C32 C33 1.406(5) . ?
C33 C34 1.390(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.402(7) . ?
C34 H34 0.9500 . ?
C35 C36 1.341(7) . ?
C35 H35 0.9500 . ?
C36 C37 1.397(6) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?

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
C2 Ru1 C17 103.99(15) . . ?
C2 Ru1 C6 102.96(14) . . ?
C17 Ru1 C6 152.81(15) . . ?
C2 Ru1 C5 76.20(14) . . ?
C17 Ru1 C5 151.44(15) . . ?
C6 Ru1 C5 36.98(14) . . ?
C2 Ru1 C18 140.65(15) . . ?
C17 Ru1 C18 37.40(15) . . ?
C6 Ru1 C18 116.22(15) . . ?
C5 Ru1 C18 139.63(15) . . ?
C2 Ru1 C16 91.86(16) . . ?
C17 Ru1 C16 36.72(16) . . ?
C6 Ru1 C16 138.79(16) . . ?
C5 Ru1 C16 115.17(16) . . ?
C18 Ru1 C16 61.34(17) . . ?
C2 Ru1 C19 151.03(18) . . ?
C17 Ru1 C19 61.66(16) . . ?
C6 Ru1 C19 92.43(16) . . ?
C5 Ru1 C19 104.27(16) . . ?
C18 Ru1 C19 36.29(17) . . ?
C16 Ru1 C19 61.27(18) . . ?
C2 Ru1 C15 115.32(18) . . ?
C17 Ru1 C15 61.13(16) . . ?
C6 Ru1 C15 103.50(16) . . ?
C5 Ru1 C15 92.51(16) . . ?
C18 Ru1 C15 60.4(2) . . ?
C16 Ru1 C15 36.70(17) . . ?
C19 Ru1 C15 36.17(19) . . ?
C2 Ru1 P1 88.98(10) . . ?
C17 Ru1 P1 100.96(11) . . ?
C6 Ru1 P1 83.06(10) . . ?
C5 Ru1 P1 107.59(10) . . ?
C18 Ru1 P1 92.02(13) . . ?
C16 Ru1 P1 136.12(13) . . ?
C19 Ru1 P1 117.47(15) . . ?
C15 Ru1 P1 151.91(15) . . ?
C26 P1 C32 100.17(17) . . ?
C26 P1 C20 101.27(16) . . ?
C32 P1 C20 103.57(16) . . ?
C26 P1 Ru1 115.42(12) . . ?
C32 P1 Ru1 115.94(12) . . ?
C20 P1 Ru1 117.90(12) . . ?
F5 P2 F1 90.1(3) . . ?
F5 P2 F3 92.7(3) . . ?
F1 P2 F3 89.7(2) . . ?
F5 P2 F6 90.4(2) . . ?
F1 P2 F6 88.4(2) . . ?
F3 P2 F6 176.4(3) . . ?
F5 P2 F2 177.5(3) . . ?
F1 P2 F2 92.2(3) . . ?
F3 P2 F2 86.3(3) . . ?
F6 P2 F2 90.7(2) . . ?
F5 P2 F4 90.5(3) . . ?
F1 P2 F4 179.2(3) . . ?
F3 P2 F4 89.7(2) . . ?
F6 P2 F4 92.1(2) . . ?
F2 P2 F4 87.2(2) . . ?
C2 N1 C1 111.7(3) . . ?
C2 N1 C4 118.0(3) . . ?
C1 N1 C4 129.9(3) . . ?
C2 N2 C3 110.7(3) . . ?
C2 N2 C8 127.0(3) . . ?
C3 N2 C8 122.4(3) . . ?
C3 C1 N1 107.2(4) . . ?
C3 C1 H1 126.4 . . ?
N1 C1 H1 126.4 . . ?
N1 C2 N2 104.0(3) . . ?
N1 C2 Ru1 119.9(3) . . ?
N2 C2 Ru1 136.0(3) . . ?
C1 C3 N2 106.4(4) . . ?
C1 C3 H3 126.8 . . ?
N2 C3 H3 126.8 . . ?
N1 C4 C5 108.0(3) . . ?
N1 C4 H4A 110.1 . . ?
C5 C4 H4A 110.1 . . ?
N1 C4 H4B 110.1 . . ?
C5 C4 H4B 110.1 . . ?
H4A C4 H4B 108.4 . . ?
C6 C5 C4 119.5(3) . . ?
C6 C5 C7 119.6(4) . . ?
C4 C5 C7 113.4(3) . . ?
C6 C5 Ru1 71.0(2) . . ?
C4 C5 Ru1 110.3(2) . . ?
C7 C5 Ru1 115.4(3) . . ?
C5 C6 Ru1 72.1(2) . . ?
C5 C6 H6A 116.4 . . ?
Ru1 C6 H6A 116.4 . . ?
C5 C6 H6B 116.4 . . ?
Ru1 C6 H6B 116.4 . . ?
H6A C6 H6B 113.4 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 C9 114.0(3) . . ?
N2 C8 H8A 108.7 . . ?
C9 C8 H8A 108.7 . . ?
N2 C8 H8B 108.7 . . ?
C9 C8 H8B 108.7 . . ?
H8A C8 H8B 107.6 . . ?
C14 C9 C10 118.9(4) . . ?
C14 C9 C8 123.8(4) . . ?
C10 C9 C8 117.3(4) . . ?
C11 C10 C9 120.9(4) . . ?
C11 C10 H10 119.6 . . ?
C9 C10 H10 119.6 . . ?
C12 C11 C10 119.3(4) . . ?
C12 C11 H11 120.3 . . ?
C10 C11 H11 120.3 . . ?
C11 C12 C13 120.3(5) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C12 C13 C14 120.8(5) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
C9 C14 C13 119.9(4) . . ?
C9 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C19 C15 C16 108.8(4) . . ?
C19 C15 Ru1 71.7(3) . . ?
C16 C15 Ru1 71.2(2) . . ?
C19 C15 H15 125.5 . . ?
C16 C15 H15 125.5 . . ?
Ru1 C15 H15 125.5 . . ?
C17 C16 C15 107.2(4) . . ?
C17 C16 Ru1 70.0(2) . . ?
C15 C16 Ru1 72.1(2) . . ?
C17 C16 H16 126.3 . . ?
C15 C16 H16 126.3 . . ?
Ru1 C16 H16 126.3 . . ?
C16 C17 C18 107.9(4) . . ?
C16 C17 Ru1 73.3(2) . . ?
C18 C17 Ru1 72.4(2) . . ?
C16 C17 H17 125.8 . . ?
C18 C17 H17 125.8 . . ?
Ru1 C17 H17 125.8 . . ?
C19 C18 C17 108.3(4) . . ?
C19 C18 Ru1 72.7(3) . . ?
C17 C18 Ru1 70.2(2) . . ?
C19 C18 H18 125.8 . . ?
C17 C18 H18 125.8 . . ?
Ru1 C18 H18 125.8 . . ?
C18 C19 C15 107.7(4) . . ?
C18 C19 Ru1 71.0(2) . . ?
C15 C19 Ru1 72.1(3) . . ?
C18 C19 H19 126.0 . . ?
C15 C19 H19 126.0 . . ?
Ru1 C19 H19 126.0 . . ?
C21 C20 C25 118.9(3) . . ?
C21 C20 P1 120.4(3) . . ?
C25 C20 P1 120.5(3) . . ?
C20 C21 C22 119.6(4) . . ?
C20 C21 H21 120.2 . . ?
C22 C21 H21 120.2 . . ?
C23 C22 C21 120.6(4) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C24 C23 C22 120.1(4) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 120.3(4) . . ?
C23 C24 H24 119.8 . . ?
C25 C24 H24 119.8 . . ?
C20 C25 C24 120.4(4) . . ?
C20 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C27 C26 C31 118.7(3) . . ?
C27 C26 P1 120.7(3) . . ?
C31 C26 P1 120.5(3) . . ?
C28 C27 C26 120.9(4) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C29 C28 C27 119.6(4) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C30 C29 C28 120.5(4) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C29 C30 C31 120.8(4) . . ?
C29 C30 H30 119.6 . . ?
C31 C30 H30 119.6 . . ?
C30 C31 C26 119.5(4) . . ?
C30 C31 H31 120.3 . . ?
C26 C31 H31 120.3 . . ?
C37 C32 C33 118.0(3) . . ?
C37 C32 P1 124.7(3) . . ?
C33 C32 P1 117.3(3) . . ?
C34 C33 C32 120.7(4) . . ?
C34 C33 H33 119.6 . . ?
C32 C33 H33 119.6 . . ?
C33 C34 C35 119.7(4) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 H34 120.1 . . ?
C36 C35 C34 119.5(4) . . ?
C36 C35 H35 120.3 . . ?
C34 C35 H35 120.3 . . ?
C35 C36 C37 121.7(4) . . ?
C35 C36 H36 119.1 . . ?
C37 C36 H36 119.1 . . ?
C32 C37 C36 120.4(4) . . ?
C32 C37 H37 119.8 . . ?
C36 C37 H37 119.8 . . ?
Cl40 C38 Cl39 112.9(4) . . ?
Cl40 C38 H38A 109.0 . . ?
Cl39 C38 H38A 109.0 . . ?
Cl40 C38 H38B 109.0 . . ?
Cl39 C38 H38B 109.0 . . ?
H38A C38 H38B 107.8 . . ?

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
C2 N1 C1 C3 0.5(5) . . . . ?
C4 N1 C1 C3 -172.2(4) . . . . ?
C1 N1 C2 N2 -0.7(4) . . . . ?
C4 N1 C2 N2 172.9(3) . . . . ?
C1 N1 C2 Ru1 176.3(3) . . . . ?
C4 N1 C2 Ru1 -10.0(4) . . . . ?
C3 N2 C2 N1 0.7(4) . . . . ?
C8 N2 C2 N1 180.0(4) . . . . ?
C3 N2 C2 Ru1 -175.6(3) . . . . ?
C8 N2 C2 Ru1 3.7(6) . . . . ?
N1 C1 C3 N2 -0.1(5) . . . . ?
C2 N2 C3 C1 -0.4(5) . . . . ?
C8 N2 C3 C1 -179.7(4) . . . . ?
C2 N1 C4 C5 26.6(5) . . . . ?
C1 N1 C4 C5 -161.0(4) . . . . ?
N1 C4 C5 C6 -108.4(4) . . . . ?
N1 C4 C5 C7 101.7(4) . . . . ?
N1 C4 C5 Ru1 -29.4(4) . . . . ?
C4 C5 C6 Ru1 103.0(3) . . . . ?
C7 C5 C6 Ru1 -109.0(3) . . . . ?
C2 N2 C8 C9 -91.4(5) . . . . ?
C3 N2 C8 C9 87.8(5) . . . . ?
N2 C8 C9 C14 -19.8(5) . . . . ?
N2 C8 C9 C10 160.2(3) . . . . ?
C14 C9 C10 C11 0.1(6) . . . . ?
C8 C9 C10 C11 -179.9(3) . . . . ?
C9 C10 C11 C12 1.3(6) . . . . ?
C10 C11 C12 C13 -1.4(6) . . . . ?
C11 C12 C13 C14 0.1(7) . . . . ?
C10 C9 C14 C13 -1.5(6) . . . . ?
C8 C9 C14 C13 178.5(4) . . . . ?
C12 C13 C14 C9 1.4(7) . . . . ?
C19 C15 C16 C17 0.6(5) . . . . ?
Ru1 C15 C16 C17 -61.6(3) . . . . ?
C19 C15 C16 Ru1 62.2(3) . . . . ?
C15 C16 C17 C18 -1.6(4) . . . . ?
Ru1 C16 C17 C18 -64.6(3) . . . . ?
C15 C16 C17 Ru1 63.0(3) . . . . ?
C16 C17 C18 C19 2.0(5) . . . . ?
Ru1 C17 C18 C19 -63.2(3) . . . . ?
C16 C17 C18 Ru1 65.2(3) . . . . ?
C17 C18 C19 C15 -1.6(5) . . . . ?
Ru1 C18 C19 C15 -63.2(3) . . . . ?
C17 C18 C19 Ru1 61.6(3) . . . . ?
C16 C15 C19 C18 0.7(5) . . . . ?
Ru1 C15 C19 C18 62.5(3) . . . . ?
C16 C15 C19 Ru1 -61.8(3) . . . . ?
C26 P1 C20 C21 -169.8(3) . . . . ?
C32 P1 C20 C21 -66.3(3) . . . . ?
Ru1 P1 C20 C21 63.2(3) . . . . ?
C26 P1 C20 C25 15.6(3) . . . . ?
C32 P1 C20 C25 119.1(3) . . . . ?
Ru1 P1 C20 C25 -111.3(3) . . . . ?
C25 C20 C21 C22 -3.1(6) . . . . ?
P1 C20 C21 C22 -177.7(3) . . . . ?
C20 C21 C22 C23 1.5(6) . . . . ?
C21 C22 C23 C24 -0.3(7) . . . . ?
C22 C23 C24 C25 0.7(7) . . . . ?
C21 C20 C25 C24 3.5(6) . . . . ?
P1 C20 C25 C24 178.1(3) . . . . ?
C23 C24 C25 C20 -2.3(6) . . . . ?
C32 P1 C26 C27 -37.4(3) . . . . ?
C20 P1 C26 C27 68.8(3) . . . . ?
Ru1 P1 C26 C27 -162.7(2) . . . . ?
C32 P1 C26 C31 147.0(3) . . . . ?
C20 P1 C26 C31 -106.8(3) . . . . ?
Ru1 P1 C26 C31 21.7(3) . . . . ?
C31 C26 C27 C28 1.4(5) . . . . ?
P1 C26 C27 C28 -174.2(3) . . . . ?
C26 C27 C28 C29 0.9(6) . . . . ?
C27 C28 C29 C30 -2.2(6) . . . . ?
C28 C29 C30 C31 1.1(6) . . . . ?
C29 C30 C31 C26 1.3(6) . . . . ?
C27 C26 C31 C30 -2.5(5) . . . . ?
P1 C26 C31 C30 173.2(3) . . . . ?
C26 P1 C32 C37 119.3(3) . . . . ?
C20 P1 C32 C37 15.0(4) . . . . ?
Ru1 P1 C32 C37 -115.8(3) . . . . ?
C26 P1 C32 C33 -60.8(3) . . . . ?
C20 P1 C32 C33 -165.1(3) . . . . ?
Ru1 P1 C32 C33 64.1(3) . . . . ?
C37 C32 C33 C34 0.3(5) . . . . ?
P1 C32 C33 C34 -179.6(3) . . . . ?
C32 C33 C34 C35 0.4(6) . . . . ?
C33 C34 C35 C36 -0.5(6) . . . . ?
C34 C35 C36 C37 -0.1(7) . . . . ?
C33 C32 C37 C36 -1.0(5) . . . . ?
P1 C32 C37 C36 178.9(3) . . . . ?
C35 C36 C37 C32 0.9(6) . . . . ?

_refine_diff_density_max         1.980
_refine_diff_density_min         -1.824
_refine_diff_density_rms         0.111

_shelxl_version_number           2013-3

####################################################################### 
# 
# 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_mo_FMTest2_0ma_a
_database_code_depnum_ccdc_archive 'CCDC 1901387'
loop_
_audit_author_name
_audit_author_address
'Frederick Malan'
;University of Pretoria
South Africa
;
_audit_update_record             
;
2019-03-06 deposited with the CCDC.	2019-05-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14.67 H24 Cl1.33 N2.67 O0.67'
_chemical_formula_weight         295.63

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'
Cl Cl 0.1484 0.1585 '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      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'

_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+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   16.1278(8)
_cell_length_b                   12.2682(5)
_cell_length_c                   12.5817(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2489.4(2)
_cell_formula_units_Z            6
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9839
_cell_measurement_theta_min      2.53
_cell_measurement_theta_max      26.15

_exptl_crystal_description       blade
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.183
_exptl_crystal_F_000             952
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.396
_exptl_crystal_size_mid          0.132
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    0.280
_shelx_estimated_absorpt_T_min   0.897
_shelx_estimated_absorpt_T_max   0.983
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8652
_exptl_absorpt_correction_T_max  0.8878
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1205 before and 0.0414 after correction.
The Ratio of minimum to maximum transmission is 0.9745.
The λ/2 correction factor is Not present.
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            68129
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_av_R_equivalents  0.0653
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.526
_diffrn_reflns_theta_max         26.438
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             2565
_reflns_number_gt                2098
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2565
_refine_ls_number_parameters     138
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0375
_refine_ls_wR_factor_ref         0.1319
_refine_ls_wR_factor_gt          0.1212
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.025
_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 0.64212(2) 0.26136(3) 0.13444(3) 0.02592(18) Uani 1 1 d . . . . .
O1 O 0.5000 0.39162(14) 0.2500 0.0388(5) Uani 1 2 d S T P . .
N1 N 0.36170(7) 0.61563(11) 0.38189(10) 0.0184(3) Uani 1 1 d . . . . .
N2 N 0.40714(9) 0.72712(11) 0.50075(10) 0.0209(3) Uani 1 1 d . . . . .
C1 C 0.44555(10) 0.59540(13) 0.39325(12) 0.0228(4) Uani 1 1 d . . . . .
H1 H 0.4773 0.5426 0.3558 0.027 Uiso 1 1 calc R U . . .
C2 C 0.34023(10) 0.69572(12) 0.44702(12) 0.0202(4) Uani 1 1 d . . . . .
H2 H 0.2862 0.7257 0.4541 0.024 Uiso 1 1 calc R U . . .
C3 C 0.47353(10) 0.66504(13) 0.46777(13) 0.0249(4) Uani 1 1 d . . . . .
H3 H 0.5289 0.6704 0.4930 0.030 Uiso 1 1 calc R U . . .
C4 C 0.30585(10) 0.56138(12) 0.30583(13) 0.0240(4) Uani 1 1 d . . . . .
H4A H 0.2476 0.5780 0.3247 0.029 Uiso 1 1 calc R U . . .
H4B H 0.3136 0.4815 0.3105 0.029 Uiso 1 1 calc R U . . .
C5 C 0.32247(10) 0.59841(13) 0.19353(12) 0.0238(4) Uani 1 1 d . . . . .
C6 C 0.33035(13) 0.52545(18) 0.11661(16) 0.0420(5) Uani 1 1 d . . . . .
H6A H 0.3388 0.5487 0.0454 0.050 Uiso 1 1 calc R U . . .
H6B H 0.3275 0.4499 0.1326 0.050 Uiso 1 1 calc R U . . .
C7 C 0.32608(13) 0.71779(14) 0.17556(14) 0.0325(4) Uani 1 1 d . . . . .
H7A H 0.3274 0.7326 0.0990 0.049 Uiso 1 1 calc R U . . .
H7B H 0.3762 0.7474 0.2089 0.049 Uiso 1 1 calc R U . . .
H7C H 0.2770 0.7523 0.2069 0.049 Uiso 1 1 calc R U . . .
C8 C 0.41050(11) 0.81359(14) 0.58101(14) 0.0297(4) Uani 1 1 d . . . . .
H8A H 0.4649 0.8100 0.6173 0.036 Uiso 1 1 calc R U . . .
H8B H 0.3672 0.7993 0.6350 0.036 Uiso 1 1 calc R U . . .
C9 C 0.39876(10) 0.92610(14) 0.53879(16) 0.0307(4) Uani 1 1 d . . . . .
C10 C 0.38937(13) 0.95010(15) 0.43739(17) 0.0415(5) Uani 1 1 d . . . . .
H10A H 0.3898 0.8937 0.3856 0.050 Uiso 1 1 calc R U . . .
H10B H 0.3822 1.0238 0.4161 0.050 Uiso 1 1 calc R U . . .
C11 C 0.40043(14) 1.01088(17) 0.62395(18) 0.0516(6) Uani 1 1 d . . . . .
H11A H 0.3968 1.0834 0.5916 0.077 Uiso 1 1 calc R U . . .
H11B H 0.4523 1.0049 0.6641 0.077 Uiso 1 1 calc R U . . .
H11C H 0.3533 1.0000 0.6720 0.077 Uiso 1 1 calc R U . . .
H4 H 0.5392(14) 0.347(2) 0.2171(18) 0.073(8) Uiso 1 1 d . . . . .


_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
O1 H4 0.93(2) . ?
N1 C2 1.3255(19) . ?
N1 C1 1.3823(19) . ?
N1 C4 1.4731(19) . ?
N2 C2 1.330(2) . ?
N2 C3 1.378(2) . ?
N2 C8 1.466(2) . ?
C1 C3 1.346(2) . ?
C1 H1 0.9500 . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
C4 C5 1.508(2) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.324(2) . ?
C5 C7 1.483(2) . ?
C6 H6A 0.9500 . ?
C6 H6B 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.491(2) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.318(3) . ?
C9 C11 1.493(2) . ?
C10 H10A 0.9500 . ?
C10 H10B 0.9500 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?

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
C2 N1 C1 108.95(13) . . ?
C2 N1 C4 125.22(13) . . ?
C1 N1 C4 125.75(13) . . ?
C2 N2 C3 108.49(13) . . ?
C2 N2 C8 126.14(14) . . ?
C3 N2 C8 125.37(14) . . ?
C3 C1 N1 106.61(14) . . ?
C3 C1 H1 126.7 . . ?
N1 C1 H1 126.7 . . ?
N1 C2 N2 108.48(14) . . ?
N1 C2 H2 125.8 . . ?
N2 C2 H2 125.8 . . ?
C1 C3 N2 107.46(14) . . ?
C1 C3 H3 126.3 . . ?
N2 C3 H3 126.3 . . ?
N1 C4 C5 111.33(13) . . ?
N1 C4 H4A 109.4 . . ?
C5 C4 H4A 109.4 . . ?
N1 C4 H4B 109.4 . . ?
C5 C4 H4B 109.4 . . ?
H4A C4 H4B 108.0 . . ?
C6 C5 C7 123.53(17) . . ?
C6 C5 C4 119.87(17) . . ?
C7 C5 C4 116.56(14) . . ?
C5 C6 H6A 120.0 . . ?
C5 C6 H6B 120.0 . . ?
H6A C6 H6B 120.0 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 C9 114.83(15) . . ?
N2 C8 H8A 108.6 . . ?
C9 C8 H8A 108.6 . . ?
N2 C8 H8B 108.6 . . ?
C9 C8 H8B 108.6 . . ?
H8A C8 H8B 107.5 . . ?
C10 C9 C8 124.48(17) . . ?
C10 C9 C11 122.75(17) . . ?
C8 C9 C11 112.76(17) . . ?
C9 C10 H10A 120.0 . . ?
C9 C10 H10B 120.0 . . ?
H10A C10 H10B 120.0 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?

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
C2 N1 C1 C3 0.55(17) . . . . ?
C4 N1 C1 C3 177.52(14) . . . . ?
C1 N1 C2 N2 -0.62(17) . . . . ?
C4 N1 C2 N2 -177.61(13) . . . . ?
C3 N2 C2 N1 0.45(17) . . . . ?
C8 N2 C2 N1 180.00(14) . . . . ?
N1 C1 C3 N2 -0.26(17) . . . . ?
C2 N2 C3 C1 -0.11(18) . . . . ?
C8 N2 C3 C1 -179.66(15) . . . . ?
C2 N1 C4 C5 104.65(17) . . . . ?
C1 N1 C4 C5 -71.84(19) . . . . ?
N1 C4 C5 C6 131.97(17) . . . . ?
N1 C4 C5 C7 -50.16(19) . . . . ?
C2 N2 C8 C9 -68.9(2) . . . . ?
C3 N2 C8 C9 110.57(18) . . . . ?
N2 C8 C9 C10 -2.8(3) . . . . ?
N2 C8 C9 C11 178.45(16) . . . . ?

_refine_diff_density_max         0.246
_refine_diff_density_min         -0.251
_refine_diff_density_rms         0.044

_shelxl_version_number           2013-3

####################################################################### 
# 
# 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_mo_FMR5_3_0m
_database_code_depnum_ccdc_archive 'CCDC 1901386'
loop_
_audit_author_name
_audit_author_address
'Frederick Malan'
;University of Pretoria
South Africa
;
_audit_update_record             
;
2019-03-06 deposited with the CCDC.	2019-05-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C31 H32 F6 N2 P2 Ru'
_chemical_formula_weight         709.59

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.2788(15)
_cell_length_b                   9.1026(9)
_cell_length_c                   19.875(2)
_cell_angle_alpha                90
_cell_angle_beta                 96.086(3)
_cell_angle_gamma                90
_cell_volume                     2928.5(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9658
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      26.34

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_F_000             1440
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.134
_exptl_crystal_size_mid          0.082
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    0.708
_shelx_estimated_absorpt_T_min   0.911
_shelx_estimated_absorpt_T_max   0.952
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8656
_exptl_absorpt_correction_T_max  0.9010
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0716 before and 0.0462 after correction.
The Ratio of minimum to maximum transmission is 0.9607.
The λ/2 correction factor is Not present.
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            124407
_diffrn_reflns_av_unetI/netI     0.0238
_diffrn_reflns_av_R_equivalents  0.0646
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.298
_diffrn_reflns_theta_max         26.483
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6046
_reflns_number_gt                5024
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0207P)²+5.3014P] 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         6046
_refine_ls_number_parameters     381
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0307
_refine_ls_wR_factor_ref         0.0666
_refine_ls_wR_factor_gt          0.0617
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.002
_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 0.84092(2) 0.77533(2) 0.65536(2) 0.01339(6) Uani 1 1 d . . . . .
C1 C 0.89310(16) 0.7201(3) 0.45502(13) 0.0283(6) Uani 1 1 d . . . . .
H1 H 0.9002 0.7624 0.4123 0.034 Uiso 1 1 calc R U . . .
P1 P 0.70277(4) 0.72521(7) 0.62075(3) 0.01355(12) Uani 1 1 d . . . . .
N1 N 0.87374(13) 0.7927(2) 0.51211(10) 0.0196(5) Uani 1 1 d . . . . .
N2 N 0.88314(13) 0.5651(2) 0.53844(11) 0.0211(5) Uani 1 1 d . . . . .
C2 C 0.86677(14) 0.6984(3) 0.56388(12) 0.0170(5) Uani 1 1 d . . . . .
C3 C 0.89982(17) 0.5780(3) 0.47177(14) 0.0306(7) Uani 1 1 d . . . . .
H3 H 0.9135 0.5001 0.4432 0.037 Uiso 1 1 calc R U . . .
C4 C 0.85235(16) 0.9454(3) 0.52217(13) 0.0223(6) Uani 1 1 d . . . . .
H4A H 0.7934 0.9626 0.5063 0.027 Uiso 1 1 calc R U . . .
H4B H 0.8864 1.0105 0.4964 0.027 Uiso 1 1 calc R U . . .
C5 C 0.86869(15) 0.9771(3) 0.59735(13) 0.0190(5) Uani 1 1 d . . . . .
C6 C 0.80258(15) 1.0066(3) 0.63431(13) 0.0200(5) Uani 1 1 d . . . . .
H6A H 0.7482 1.0211 0.6078 0.024 Uiso 1 1 calc R U . . .
H6B H 0.8133 1.0767 0.6723 0.024 Uiso 1 1 calc R U . . .
C7 C 0.95314(16) 1.0435(3) 0.61672(14) 0.0265(6) Uani 1 1 d . . . . .
H7A H 0.9959 0.9714 0.6090 0.040 Uiso 1 1 calc R U . . .
H7B H 0.9584 1.0712 0.6646 0.040 Uiso 1 1 calc R U . . .
H7C H 0.9598 1.1309 0.5890 0.040 Uiso 1 1 calc R U . . .
C8 C 0.88103(18) 0.4246(3) 0.57362(16) 0.0313(7) Uani 1 1 d . . . . .
H8A H 0.8772 0.3445 0.5405 0.047 Uiso 1 1 calc R U . . .
H8B H 0.8329 0.4218 0.5993 0.047 Uiso 1 1 calc R U . . .
H8C H 0.9316 0.4133 0.6047 0.047 Uiso 1 1 calc R U . . .
C9 C 0.87967(15) 0.5933(3) 0.72646(13) 0.0212(6) Uani 1 1 d . . . . .
H9 H 0.8629 0.4949 0.7169 0.025 Uiso 1 1 calc R U . . .
C10 C 0.83708(16) 0.6997(3) 0.76266(12) 0.0239(6) Uani 1 1 d . . . . .
H10 H 0.7869 0.6841 0.7820 0.029 Uiso 1 1 calc R U . . .
C11 C 0.88223(17) 0.8314(3) 0.76481(13) 0.0267(6) Uani 1 1 d . . . . .
H11 H 0.8676 0.9207 0.7852 0.032 Uiso 1 1 calc R U . . .
C12 C 0.95364(16) 0.8075(3) 0.73100(13) 0.0253(6) Uani 1 1 d . . . . .
H12 H 0.9955 0.8778 0.7253 0.030 Uiso 1 1 calc R U . . .
C13 C 0.95176(15) 0.6625(3) 0.70757(13) 0.0240(6) Uani 1 1 d . . . . .
H13 H 0.9921 0.6178 0.6831 0.029 Uiso 1 1 calc R U . . .
C14 C 0.66785(14) 0.7822(3) 0.53374(12) 0.0164(5) Uani 1 1 d . . . . .
C15 C 0.69321(15) 0.6989(3) 0.48049(13) 0.0213(6) Uani 1 1 d . . . . .
H15 H 0.7236 0.6108 0.4898 0.026 Uiso 1 1 calc R U . . .
C16 C 0.67418(17) 0.7445(3) 0.41425(13) 0.0272(6) Uani 1 1 d . . . . .
H16 H 0.6916 0.6878 0.3782 0.033 Uiso 1 1 calc R U . . .
C17 C 0.62963(18) 0.8732(3) 0.40025(14) 0.0322(7) Uani 1 1 d . . . . .
H17 H 0.6170 0.9047 0.3548 0.039 Uiso 1 1 calc R U . . .
C18 C 0.60388(17) 0.9547(3) 0.45232(14) 0.0278(6) Uani 1 1 d . . . . .
H18 H 0.5734 1.0426 0.4427 0.033 Uiso 1 1 calc R U . . .
C19 C 0.62211(15) 0.9093(3) 0.51895(13) 0.0201(5) Uani 1 1 d . . . . .
H19 H 0.6032 0.9654 0.5546 0.024 Uiso 1 1 calc R U . . .
C20 C 0.62857(15) 0.8134(3) 0.67183(12) 0.0160(5) Uani 1 1 d . . . . .
C21 C 0.54386(15) 0.7853(3) 0.65868(12) 0.0202(5) Uani 1 1 d . . . . .
H21 H 0.5242 0.7222 0.6224 0.024 Uiso 1 1 calc R U . . .
C22 C 0.48844(16) 0.8490(3) 0.69835(14) 0.0244(6) Uani 1 1 d . . . . .
H22 H 0.4310 0.8293 0.6891 0.029 Uiso 1 1 calc R U . . .
C23 C 0.51619(16) 0.9409(3) 0.75122(14) 0.0245(6) Uani 1 1 d . . . . .
H23 H 0.4779 0.9844 0.7782 0.029 Uiso 1 1 calc R U . . .
C24 C 0.59946(16) 0.9695(3) 0.76480(13) 0.0217(6) Uani 1 1 d . . . . .
H24 H 0.6185 1.0329 0.8011 0.026 Uiso 1 1 calc R U . . .
C25 C 0.65562(15) 0.9059(3) 0.72554(12) 0.0185(5) Uani 1 1 d . . . . .
H25 H 0.7129 0.9257 0.7354 0.022 Uiso 1 1 calc R U . . .
C26 C 0.66435(14) 0.5341(3) 0.62087(12) 0.0159(5) Uani 1 1 d . . . . .
C27 C 0.69000(15) 0.4419(3) 0.67493(12) 0.0183(5) Uani 1 1 d . . . . .
H27 H 0.7303 0.4758 0.7095 0.022 Uiso 1 1 calc R U . . .
C28 C 0.65784(16) 0.3015(3) 0.67921(13) 0.0206(5) Uani 1 1 d . . . . .
H28 H 0.6770 0.2396 0.7160 0.025 Uiso 1 1 calc R U . . .
C29 C 0.59787(16) 0.2514(3) 0.63002(13) 0.0228(6) Uani 1 1 d . . . . .
H29 H 0.5754 0.1556 0.6332 0.027 Uiso 1 1 calc R U . . .
C30 C 0.57108(18) 0.3413(3) 0.57647(14) 0.0290(6) Uani 1 1 d . . . . .
H30 H 0.5296 0.3076 0.5428 0.035 Uiso 1 1 calc R U . . .
C31 C 0.60421(16) 0.4811(3) 0.57135(14) 0.0253(6) Uani 1 1 d . . . . .
H31 H 0.5858 0.5414 0.5337 0.030 Uiso 1 1 calc R U . . .
P2 P 0.80956(4) 0.26385(8) 0.86159(3) 0.02375(15) Uani 1 1 d . . . . .
F1 F 0.83162(12) 0.2647(2) 0.78464(8) 0.0418(4) Uani 1 1 d . . . . .
F2 F 0.83331(13) 0.4336(2) 0.86804(9) 0.0477(5) Uani 1 1 d . . . . .
F3 F 0.78911(11) 0.2612(2) 0.93799(8) 0.0401(4) Uani 1 1 d . . . . .
F4 F 0.78666(12) 0.09382(19) 0.85402(10) 0.0448(5) Uani 1 1 d . . . . .
F5 F 0.90337(10) 0.2219(2) 0.88643(10) 0.0453(5) Uani 1 1 d . . . . .
F6 F 0.71705(11) 0.3067(2) 0.83682(9) 0.0505(5) Uani 1 1 d . . . . .


_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 C2 2.033(2) . ?
Ru1 C6 2.223(2) . ?
Ru1 C9 2.225(2) . ?
Ru1 C13 2.234(2) . ?
Ru1 C5 2.240(2) . ?
Ru1 C10 2.248(2) . ?
Ru1 C12 2.265(2) . ?
Ru1 C11 2.266(3) . ?
Ru1 P1 2.3262(6) . ?
C1 C3 1.337(4) . ?
C1 N1 1.378(3) . ?
C1 H1 0.9500 . ?
P1 C14 1.837(2) . ?
P1 C20 1.842(2) . ?
P1 C26 1.848(3) . ?
N1 C2 1.354(3) . ?
N1 C4 1.452(3) . ?
N2 C2 1.352(3) . ?
N2 C3 1.385(3) . ?
N2 C8 1.459(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.517(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.392(4) . ?
C5 C7 1.514(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C13 1.417(4) . ?
C9 C10 1.429(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.404(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.420(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.399(4) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C19 1.391(4) . ?
C14 C15 1.399(4) . ?
C15 C16 1.384(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.390(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.375(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.389(4) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.394(3) . ?
C20 C21 1.400(3) . ?
C21 C22 1.387(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.381(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.379(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.390(4) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C27 1.392(3) . ?
C26 C31 1.398(3) . ?
C27 C28 1.387(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.384(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.376(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.390(4) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
P2 F6 1.5829(18) . ?
P2 F3 1.5888(17) . ?
P2 F2 1.5948(19) . ?
P2 F4 1.5953(19) . ?
P2 F5 1.6005(18) . ?
P2 F1 1.6077(18) . ?

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
C2 Ru1 C6 103.79(10) . . ?
C2 Ru1 C9 103.88(10) . . ?
C6 Ru1 C9 151.62(10) . . ?
C2 Ru1 C13 91.35(10) . . ?
C6 Ru1 C13 136.03(10) . . ?
C9 Ru1 C13 37.06(9) . . ?
C2 Ru1 C5 75.51(10) . . ?
C6 Ru1 C5 36.35(9) . . ?
C9 Ru1 C5 151.44(9) . . ?
C13 Ru1 C5 114.76(9) . . ?
C2 Ru1 C10 140.53(10) . . ?
C6 Ru1 C10 115.66(10) . . ?
C9 Ru1 C10 37.26(10) . . ?
C13 Ru1 C10 61.37(10) . . ?
C5 Ru1 C10 140.07(10) . . ?
C2 Ru1 C12 114.09(10) . . ?
C6 Ru1 C12 101.19(10) . . ?
C9 Ru1 C12 61.28(10) . . ?
C13 Ru1 C12 36.23(10) . . ?
C5 Ru1 C12 92.42(9) . . ?
C10 Ru1 C12 60.78(10) . . ?
C2 Ru1 C11 150.16(10) . . ?
C6 Ru1 C11 90.92(10) . . ?
C9 Ru1 C11 61.50(10) . . ?
C13 Ru1 C11 60.97(10) . . ?
C5 Ru1 C11 104.71(10) . . ?
C10 Ru1 C11 36.25(10) . . ?
C12 Ru1 C11 36.53(10) . . ?
C2 Ru1 P1 87.32(7) . . ?
C6 Ru1 P1 83.50(7) . . ?
C9 Ru1 P1 103.99(7) . . ?
C13 Ru1 P1 139.04(7) . . ?
C5 Ru1 P1 104.49(6) . . ?
C10 Ru1 P1 95.58(7) . . ?
C12 Ru1 P1 155.73(7) . . ?
C11 Ru1 P1 120.48(7) . . ?
C3 C1 N1 106.2(2) . . ?
C3 C1 H1 126.9 . . ?
N1 C1 H1 126.9 . . ?
C14 P1 C20 103.91(11) . . ?
C14 P1 C26 101.29(11) . . ?
C20 P1 C26 99.65(11) . . ?
C14 P1 Ru1 114.59(8) . . ?
C20 P1 Ru1 114.92(8) . . ?
C26 P1 Ru1 120.05(8) . . ?
C2 N1 C1 111.5(2) . . ?
C2 N1 C4 117.5(2) . . ?
C1 N1 C4 130.7(2) . . ?
C2 N2 C3 110.4(2) . . ?
C2 N2 C8 126.3(2) . . ?
C3 N2 C8 123.3(2) . . ?
N2 C2 N1 104.4(2) . . ?
N2 C2 Ru1 135.31(19) . . ?
N1 C2 Ru1 120.23(18) . . ?
C1 C3 N2 107.5(2) . . ?
C1 C3 H3 126.2 . . ?
N2 C3 H3 126.2 . . ?
N1 C4 C5 107.3(2) . . ?
N1 C4 H4A 110.3 . . ?
C5 C4 H4A 110.3 . . ?
N1 C4 H4B 110.3 . . ?
C5 C4 H4B 110.3 . . ?
H4A C4 H4B 108.5 . . ?
C6 C5 C7 121.4(2) . . ?
C6 C5 C4 119.5(2) . . ?
C7 C5 C4 112.7(2) . . ?
C6 C5 Ru1 71.18(14) . . ?
C7 C5 Ru1 115.09(16) . . ?
C4 C5 Ru1 109.11(16) . . ?
C5 C6 Ru1 72.47(14) . . ?
C5 C6 H6A 116.3 . . ?
Ru1 C6 H6A 116.3 . . ?
C5 C6 H6B 116.3 . . ?
Ru1 C6 H6B 116.3 . . ?
H6A C6 H6B 113.3 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 H8A 109.5 . . ?
N2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C13 C9 C10 106.9(2) . . ?
C13 C9 Ru1 71.80(14) . . ?
C10 C9 Ru1 72.23(14) . . ?
C13 C9 H9 126.5 . . ?
C10 C9 H9 126.5 . . ?
Ru1 C9 H9 121.2 . . ?
C11 C10 C9 108.3(2) . . ?
C11 C10 Ru1 72.56(15) . . ?
C9 C10 Ru1 70.51(14) . . ?
C11 C10 H10 125.9 . . ?
C9 C10 H10 125.9 . . ?
Ru1 C10 H10 122.7 . . ?
C10 C11 C12 107.9(2) . . ?
C10 C11 Ru1 71.18(15) . . ?
C12 C11 Ru1 71.68(15) . . ?
C10 C11 H11 126.1 . . ?
C12 C11 H11 126.1 . . ?
Ru1 C11 H11 122.7 . . ?
C13 C12 C11 108.2(2) . . ?
C13 C12 Ru1 70.70(14) . . ?
C11 C12 Ru1 71.79(14) . . ?
C13 C12 H12 125.9 . . ?
C11 C12 H12 125.9 . . ?
Ru1 C12 H12 123.2 . . ?
C12 C13 C9 108.7(2) . . ?
C12 C13 Ru1 73.08(15) . . ?
C9 C13 Ru1 71.14(14) . . ?
C12 C13 H13 125.6 . . ?
C9 C13 H13 125.6 . . ?
Ru1 C13 H13 121.8 . . ?
C19 C14 C15 119.0(2) . . ?
C19 C14 P1 122.63(19) . . ?
C15 C14 P1 118.20(19) . . ?
C16 C15 C14 120.2(2) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 120.2(3) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C18 C17 C16 119.9(2) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C17 C18 C19 120.4(3) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
C18 C19 C14 120.3(2) . . ?
C18 C19 H19 119.8 . . ?
C14 C19 H19 119.8 . . ?
C25 C20 C21 118.6(2) . . ?
C25 C20 P1 120.86(18) . . ?
C21 C20 P1 120.52(19) . . ?
C22 C21 C20 120.3(2) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C23 C22 C21 120.4(2) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C24 C23 C22 119.9(2) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 120.2(3) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C24 C25 C20 120.6(2) . . ?
C24 C25 H25 119.7 . . ?
C20 C25 H25 119.7 . . ?
C27 C26 C31 117.7(2) . . ?
C27 C26 P1 119.64(18) . . ?
C31 C26 P1 122.37(19) . . ?
C28 C27 C26 121.2(2) . . ?
C28 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
C29 C28 C27 120.2(2) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C30 C29 C28 119.5(2) . . ?
C30 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
C29 C30 C31 120.5(3) . . ?
C29 C30 H30 119.8 . . ?
C31 C30 H30 119.8 . . ?
C30 C31 C26 120.8(2) . . ?
C30 C31 H31 119.6 . . ?
C26 C31 H31 119.6 . . ?
F6 P2 F3 90.70(10) . . ?
F6 P2 F2 90.03(12) . . ?
F3 P2 F2 90.66(10) . . ?
F6 P2 F4 90.28(11) . . ?
F3 P2 F4 90.27(10) . . ?
F2 P2 F4 179.01(12) . . ?
F6 P2 F5 179.48(13) . . ?
F3 P2 F5 89.51(10) . . ?
F2 P2 F5 89.49(11) . . ?
F4 P2 F5 90.20(11) . . ?
F6 P2 F1 90.23(10) . . ?
F3 P2 F1 179.00(11) . . ?
F2 P2 F1 89.71(10) . . ?
F4 P2 F1 89.34(10) . . ?
F5 P2 F1 89.57(10) . . ?

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
C3 C1 N1 C2 -1.1(3) . . . . ?
C3 C1 N1 C4 -174.1(3) . . . . ?
C3 N2 C2 N1 -0.1(3) . . . . ?
C8 N2 C2 N1 -177.9(2) . . . . ?
C3 N2 C2 Ru1 -177.6(2) . . . . ?
C8 N2 C2 Ru1 4.6(4) . . . . ?
C1 N1 C2 N2 0.7(3) . . . . ?
C4 N1 C2 N2 174.7(2) . . . . ?
C1 N1 C2 Ru1 178.72(17) . . . . ?
C4 N1 C2 Ru1 -7.3(3) . . . . ?
N1 C1 C3 N2 1.0(3) . . . . ?
C2 N2 C3 C1 -0.6(3) . . . . ?
C8 N2 C3 C1 177.3(2) . . . . ?
C2 N1 C4 C5 28.3(3) . . . . ?
C1 N1 C4 C5 -159.1(2) . . . . ?
N1 C4 C5 C6 -112.8(3) . . . . ?
N1 C4 C5 C7 95.1(2) . . . . ?
N1 C4 C5 Ru1 -34.1(2) . . . . ?
C7 C5 C6 Ru1 -108.5(2) . . . . ?
C4 C5 C6 Ru1 101.8(2) . . . . ?
C13 C9 C10 C11 0.7(3) . . . . ?
Ru1 C9 C10 C11 -63.14(18) . . . . ?
C13 C9 C10 Ru1 63.86(17) . . . . ?
C9 C10 C11 C12 -0.9(3) . . . . ?
Ru1 C10 C11 C12 -62.70(18) . . . . ?
C9 C10 C11 Ru1 61.83(17) . . . . ?
C10 C11 C12 C13 0.7(3) . . . . ?
Ru1 C11 C12 C13 -61.68(17) . . . . ?
C10 C11 C12 Ru1 62.38(17) . . . . ?
C11 C12 C13 C9 -0.2(3) . . . . ?
Ru1 C12 C13 C9 -62.63(17) . . . . ?
C11 C12 C13 Ru1 62.38(18) . . . . ?
C10 C9 C13 C12 -0.3(3) . . . . ?
Ru1 C9 C13 C12 63.87(17) . . . . ?
C10 C9 C13 Ru1 -64.15(17) . . . . ?
C20 P1 C14 C19 24.6(2) . . . . ?
C26 P1 C14 C19 127.6(2) . . . . ?
Ru1 P1 C14 C19 -101.6(2) . . . . ?
C20 P1 C14 C15 -159.75(19) . . . . ?
C26 P1 C14 C15 -56.7(2) . . . . ?
Ru1 P1 C14 C15 74.0(2) . . . . ?
C19 C14 C15 C16 1.2(4) . . . . ?
P1 C14 C15 C16 -174.61(19) . . . . ?
C14 C15 C16 C17 -0.1(4) . . . . ?
C15 C16 C17 C18 -0.5(4) . . . . ?
C16 C17 C18 C19 0.0(4) . . . . ?
C17 C18 C19 C14 1.1(4) . . . . ?
C15 C14 C19 C18 -1.7(4) . . . . ?
P1 C14 C19 C18 173.9(2) . . . . ?
C14 P1 C20 C25 -124.2(2) . . . . ?
C26 P1 C20 C25 131.5(2) . . . . ?
Ru1 P1 C20 C25 1.8(2) . . . . ?
C14 P1 C20 C21 57.7(2) . . . . ?
C26 P1 C20 C21 -46.6(2) . . . . ?
Ru1 P1 C20 C21 -176.30(17) . . . . ?
C25 C20 C21 C22 0.2(4) . . . . ?
P1 C20 C21 C22 178.4(2) . . . . ?
C20 C21 C22 C23 0.1(4) . . . . ?
C21 C22 C23 C24 -0.1(4) . . . . ?
C22 C23 C24 C25 -0.1(4) . . . . ?
C23 C24 C25 C20 0.4(4) . . . . ?
C21 C20 C25 C24 -0.4(4) . . . . ?
P1 C20 C25 C24 -178.57(19) . . . . ?
C14 P1 C26 C27 169.28(19) . . . . ?
C20 P1 C26 C27 -84.3(2) . . . . ?
Ru1 P1 C26 C27 42.0(2) . . . . ?
C14 P1 C26 C31 -16.6(2) . . . . ?
C20 P1 C26 C31 89.8(2) . . . . ?
Ru1 P1 C26 C31 -143.87(19) . . . . ?
C31 C26 C27 C28 0.8(4) . . . . ?
P1 C26 C27 C28 175.19(19) . . . . ?
C26 C27 C28 C29 -1.3(4) . . . . ?
C27 C28 C29 C30 0.7(4) . . . . ?
C28 C29 C30 C31 0.4(4) . . . . ?
C29 C30 C31 C26 -1.0(4) . . . . ?
C27 C26 C31 C30 0.4(4) . . . . ?
P1 C26 C31 C30 -173.9(2) . . . . ?

_refine_diff_density_max         1.831
_refine_diff_density_min         -1.016
_refine_diff_density_rms         0.076

_shelxl_version_number           2013-3

####################################################################### 
# 
# 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_mo_FMR10_0m
_database_code_depnum_ccdc_archive 'CCDC 1901385'
loop_
_audit_author_name
_audit_author_address
'Frederick Malan'
;University of Pretoria
South Africa
;
_audit_update_record             
;
2019-03-06 deposited with the CCDC.	2019-05-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H38 F6 N2 P2 Ru'
_chemical_formula_weight         799.71

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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                   11.0881(7)
_cell_length_b                   13.1574(8)
_cell_length_c                   14.6115(8)
_cell_angle_alpha                113.867(2)
_cell_angle_beta                 95.538(2)
_cell_angle_gamma                111.568(2)
_cell_volume                     1735.89(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9670
_cell_measurement_theta_min      2.43
_cell_measurement_theta_max      26.44

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_F_000             816
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.410
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    0.607
_shelx_estimated_absorpt_T_min   0.789
_shelx_estimated_absorpt_T_max   0.936
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7051
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1503 before and 0.0384 after correction.
The Ratio of minimum to maximum transmission is 0.9459.
The λ/2 correction factor is Not present.
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            65370
_diffrn_reflns_av_unetI/netI     0.0238
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.212
_diffrn_reflns_theta_max         26.474
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7167
_reflns_number_gt                6352
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1000P)²] 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         7167
_refine_ls_number_parameters     443
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0442
_refine_ls_R_factor_gt           0.0367
_refine_ls_wR_factor_ref         0.1288
_refine_ls_wR_factor_gt          0.1216
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_restrained_S_all      1.096
_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
Ru1 Ru 0.51234(2) 0.33494(2) 0.69245(2) 0.01621(10) Uani 1 1 d . . . . .
C1 C 0.7658(3) 0.3682(3) 0.4995(2) 0.0315(7) Uani 1 1 d . . . . .
H1 H 0.7995 0.3293 0.4451 0.038 Uiso 1 1 calc R U . . .
P1 P 0.69830(6) 0.39451(6) 0.82312(5) 0.01733(16) Uani 1 1 d . . . . .
P2 P 0.90086(9) 0.10368(8) 0.31603(8) 0.0437(3) Uani 1 1 d . . . . .
C2 C 0.6465(3) 0.3942(2) 0.61772(19) 0.0186(5) Uani 1 1 d . . . . .
F1 F 1.0273(3) 0.2152(3) 0.4112(2) 0.0953(11) Uani 1 1 d . . . . .
F2 F 0.8089(3) 0.1173(3) 0.3894(3) 0.1027(13) Uani 1 1 d . . . . .
F3 F 0.7729(3) -0.0067(3) 0.2242(3) 0.1378(18) Uani 1 1 d . . . . .
C3 C 0.8012(3) 0.4907(3) 0.5537(2) 0.0313(7) Uani 1 1 d . . . . .
H3 H 0.8647 0.5548 0.5442 0.038 Uiso 1 1 calc R U . . .
F4 F 0.9883(4) 0.0944(3) 0.2393(3) 0.157(2) Uani 1 1 d . . . . .
C4 C 0.6092(3) 0.1823(2) 0.5188(2) 0.0232(6) Uani 1 1 d . . . . .
H4A H 0.6747 0.1667 0.5554 0.028 Uiso 1 1 calc R U . . .
H4B H 0.5835 0.1257 0.4429 0.028 Uiso 1 1 calc R U . . .
F5 F 0.8857(5) 0.2081(4) 0.2967(4) 0.1298(15) Uani 1 1 d . . . . .
C5 C 0.4848(3) 0.1586(2) 0.5573(2) 0.0189(5) Uani 1 1 d . . . . .
F6 F 0.9173(5) 0.0038(4) 0.3357(5) 0.181(2) Uani 1 1 d . . . . .
C6 C 0.4884(3) 0.1446(2) 0.6485(2) 0.0207(6) Uani 1 1 d . . . . .
H6A H 0.5688 0.1386 0.6768 0.025 Uiso 1 1 calc R U . . .
H6B H 0.4025 0.0863 0.6502 0.025 Uiso 1 1 calc R U . . .
N1 N 0.6702(2) 0.3109(2) 0.53930(17) 0.0216(5) Uani 1 1 d . . . . .
N2 N 0.7282(2) 0.5058(2) 0.62576(17) 0.0230(5) Uani 1 1 d . . . . .
C16 C 0.3099(3) 0.2884(3) 0.7258(3) 0.0313(7) Uani 1 1 d . . . . .
H16 H 0.2556 0.2132 0.7323 0.038 Uiso 1 1 calc R U . . .
C17 C 0.4062(3) 0.4035(3) 0.8080(2) 0.0277(6) Uani 1 1 d . . . . .
H17 H 0.4309 0.4252 0.8834 0.033 Uiso 1 1 calc R U . . .
C18 C 0.4553(3) 0.4868(3) 0.7658(2) 0.0273(6) Uani 1 1 d . . . . .
H18 H 0.5188 0.5775 0.8066 0.033 Uiso 1 1 calc R U . . .
C19 C 0.3850(3) 0.4210(3) 0.6581(2) 0.0288(6) Uani 1 1 d . . . . .
H19 H 0.3927 0.4566 0.6089 0.035 Uiso 1 1 calc R U . . .
C20 C 0.2959(3) 0.2994(3) 0.6337(3) 0.0325(7) Uani 1 1 d . . . . .
H20 H 0.2309 0.2330 0.5637 0.039 Uiso 1 1 calc R U . . .
C7 C 0.3530(3) 0.0897(3) 0.4718(2) 0.0272(6) Uani 1 1 d . . . . .
H7A H 0.3443 0.1441 0.4442 0.041 Uiso 1 1 calc R U . . .
H7B H 0.2773 0.0642 0.5001 0.041 Uiso 1 1 calc R U . . .
H7C H 0.3517 0.0159 0.4155 0.041 Uiso 1 1 calc R U . . .
C8 C 0.7433(3) 0.6262(2) 0.7015(2) 0.0213(6) Uani 1 1 d . . . . .
H8A H 0.8409 0.6850 0.7318 0.026 Uiso 1 1 calc R U . . .
H8B H 0.7076 0.6179 0.7589 0.026 Uiso 1 1 calc R U . . .
C9 C 0.6698(3) 0.6803(3) 0.6546(2) 0.0282(6) Uani 1 1 d . . . . .
H9A H 0.7221 0.7121 0.6129 0.034 Uiso 1 1 calc R U . . .
H9B H 0.5797 0.6135 0.6070 0.034 Uiso 1 1 calc R U . . .
C10 C 0.6521(3) 0.7848(3) 0.7384(3) 0.0354(8) Uani 1 1 d . . . . .
C11 C 0.7408(4) 0.8571(3) 0.8416(3) 0.0374(8) Uani 1 1 d . . . . .
H11 H 0.8143 0.8409 0.8586 0.045 Uiso 1 1 calc R U . . .
C12 C 0.7226(4) 0.9507(3) 0.9181(3) 0.0471(9) Uani 1 1 d . . . . .
H12 H 0.7818 0.9963 0.9873 0.057 Uiso 1 1 calc R U . . .
C13 C 0.6194(5) 0.9776(4) 0.8943(4) 0.0574(11) Uani 1 1 d . . . . .
H13 H 0.6087 1.0431 0.9467 0.069 Uiso 1 1 calc R U . . .
C14 C 0.5315(5) 0.9110(4) 0.7956(4) 0.0563(12) Uani 1 1 d . . . . .
H14 H 0.4616 0.9316 0.7791 0.068 Uiso 1 1 calc R U . . .
C15 C 0.5453(4) 0.8106(4) 0.7177(3) 0.0509(10) Uani 1 1 d . . . . .
H15 H 0.4804 0.7607 0.6508 0.061 Uiso 1 1 calc R U . . .
C21 C 0.6615(3) 0.3529(3) 0.9263(2) 0.0220(6) Uani 1 1 d . . . . .
C22 C 0.5376(3) 0.2576(3) 0.9088(2) 0.0254(6) Uani 1 1 d . . . . .
H22 H 0.4691 0.2164 0.8444 0.030 Uiso 1 1 calc R U . . .
C23 C 0.5141(3) 0.2227(3) 0.9861(2) 0.0295(7) Uani 1 1 d . . . . .
H23 H 0.4303 0.1562 0.9735 0.035 Uiso 1 1 calc R U . . .
C24 C 0.6117(3) 0.2839(3) 1.0806(2) 0.0312(7) Uani 1 1 d . . . . .
H24 H 0.5947 0.2601 1.1332 0.037 Uiso 1 1 calc R U . . .
C25 C 0.7344(3) 0.3799(3) 1.0991(2) 0.0300(7) Uani 1 1 d . . . . .
H25 H 0.8012 0.4224 1.1646 0.036 Uiso 1 1 calc R U . . .
C26 C 0.7605(3) 0.4146(3) 1.0221(2) 0.0267(6) Uani 1 1 d . . . . .
H26 H 0.8453 0.4800 1.0347 0.032 Uiso 1 1 calc R U . . .
C27 C 0.8174(3) 0.3306(3) 0.7803(2) 0.0221(6) Uani 1 1 d . . . . .
C28 C 0.8204(3) 0.2355(3) 0.7989(2) 0.0275(6) Uani 1 1 d . . . . .
H28 H 0.7721 0.2131 0.8434 0.033 Uiso 1 1 calc R U . . .
C29 C 0.8932(3) 0.1733(3) 0.7528(2) 0.0357(7) Uani 1 1 d . . . . .
H29 H 0.8942 0.1081 0.7653 0.043 Uiso 1 1 calc R U . . .
C30 C 0.9649(3) 0.2064(3) 0.6883(2) 0.0369(8) Uani 1 1 d . . . . .
H30 H 1.0130 0.1625 0.6553 0.044 Uiso 1 1 calc R U . . .
C31 C 0.9662(3) 0.3023(3) 0.6725(2) 0.0370(8) Uani 1 1 d . . . . .
H31 H 1.0175 0.3263 0.6301 0.044 Uiso 1 1 calc R U . . .
C32 C 0.8933(3) 0.3644(3) 0.7178(2) 0.0273(6) Uani 1 1 d . . . . .
H32 H 0.8949 0.4308 0.7062 0.033 Uiso 1 1 calc R U . . .
C33 C 0.8028(3) 0.5632(2) 0.9032(2) 0.0201(5) Uani 1 1 d . . . . .
C34 C 0.7440(3) 0.6318(3) 0.9657(2) 0.0259(6) Uani 1 1 d . . . . .
H34 H 0.6534 0.5907 0.9658 0.031 Uiso 1 1 calc R U . . .
C35 C 0.8166(3) 0.7591(3) 1.0275(2) 0.0314(7) Uani 1 1 d . . . . .
H35 H 0.7760 0.8049 1.0701 0.038 Uiso 1 1 calc R U . . .
C36 C 0.9474(3) 0.8195(3) 1.0271(3) 0.0378(8) Uani 1 1 d . . . . .
H36 H 0.9964 0.9072 1.0680 0.045 Uiso 1 1 calc R U . . .
C37 C 1.0071(3) 0.7523(3) 0.9674(3) 0.0412(8) Uani 1 1 d . . . . .
H37 H 1.0980 0.7939 0.9683 0.049 Uiso 1 1 calc R U . . .
C38 C 0.9354(3) 0.6240(3) 0.9058(2) 0.0306(7) Uani 1 1 d . . . . .
H38 H 0.9777 0.5783 0.8656 0.037 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
Ru1 C2 2.040(3) . ?
Ru1 C18 2.207(3) . ?
Ru1 C6 2.220(3) . ?
Ru1 C17 2.231(3) . ?
Ru1 C19 2.242(3) . ?
Ru1 C5 2.243(2) . ?
Ru1 C16 2.257(3) . ?
Ru1 C20 2.273(3) . ?
Ru1 P1 2.3135(7) . ?
C1 C3 1.349(4) . ?
C1 N1 1.384(3) . ?
C1 H1 0.9500 . ?
P1 C21 1.834(3) . ?
P1 C33 1.839(3) . ?
P1 C27 1.842(3) . ?
P2 F6 1.521(4) . ?
P2 F4 1.548(3) . ?
P2 F2 1.553(3) . ?
P2 F3 1.570(3) . ?
P2 F5 1.572(4) . ?
P2 F1 1.585(3) . ?
C2 N1 1.356(3) . ?
C2 N2 1.361(3) . ?
C3 N2 1.384(4) . ?
C3 H3 0.9500 . ?
C4 N1 1.456(3) . ?
C4 C5 1.514(4) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.415(4) . ?
C5 C7 1.509(4) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
N2 C8 1.452(3) . ?
C16 C17 1.403(5) . ?
C16 C20 1.410(4) . ?
C16 H16 1.0000 . ?
C17 C18 1.432(4) . ?
C17 H17 1.0000 . ?
C18 C19 1.414(4) . ?
C18 H18 1.0000 . ?
C19 C20 1.404(5) . ?
C19 H19 1.0000 . ?
C20 H20 1.0000 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.534(4) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.521(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C15 1.385(5) . ?
C10 C11 1.418(5) . ?
C11 C12 1.387(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.370(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.370(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.424(6) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C21 C22 1.390(4) . ?
C21 C26 1.397(4) . ?
C22 C23 1.394(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.377(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.381(5) . ?
C24 H24 0.9500 . ?
C25 C26 1.392(4) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C32 1.393(4) . ?
C27 C28 1.395(4) . ?
C28 C29 1.386(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.389(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.366(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.382(4) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C38 1.379(4) . ?
C33 C34 1.399(4) . ?
C34 C35 1.383(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.376(5) . ?
C35 H35 0.9500 . ?
C36 C37 1.379(5) . ?
C36 H36 0.9500 . ?
C37 C38 1.392(4) . ?
C37 H37 0.9500 . ?
C38 H38 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
C2 Ru1 C18 104.66(11) . . ?
C2 Ru1 C6 103.28(10) . . ?
C18 Ru1 C6 151.80(11) . . ?
C2 Ru1 C17 141.17(11) . . ?
C18 Ru1 C17 37.65(11) . . ?
C6 Ru1 C17 115.20(10) . . ?
C2 Ru1 C19 93.77(10) . . ?
C18 Ru1 C19 37.05(11) . . ?
C6 Ru1 C19 137.03(11) . . ?
C17 Ru1 C19 61.66(11) . . ?
C2 Ru1 C5 76.14(10) . . ?
C18 Ru1 C5 151.79(11) . . ?
C6 Ru1 C5 36.97(9) . . ?
C17 Ru1 C5 140.06(11) . . ?
C19 Ru1 C5 115.10(11) . . ?
C2 Ru1 C16 152.92(11) . . ?
C18 Ru1 C16 61.71(11) . . ?
C6 Ru1 C16 91.19(11) . . ?
C17 Ru1 C16 36.42(12) . . ?
C19 Ru1 C16 60.91(11) . . ?
C5 Ru1 C16 104.70(11) . . ?
C2 Ru1 C20 117.18(11) . . ?
C18 Ru1 C20 61.29(12) . . ?
C6 Ru1 C20 102.09(11) . . ?
C17 Ru1 C20 60.85(11) . . ?
C19 Ru1 C20 36.24(12) . . ?
C5 Ru1 C20 92.78(11) . . ?
C16 Ru1 C20 36.26(11) . . ?
C2 Ru1 P1 86.84(7) . . ?
C18 Ru1 P1 101.34(8) . . ?
C6 Ru1 P1 83.82(7) . . ?
C17 Ru1 P1 92.11(8) . . ?
C19 Ru1 P1 136.93(9) . . ?
C5 Ru1 P1 106.85(7) . . ?
C16 Ru1 P1 117.77(8) . . ?
C20 Ru1 P1 152.42(8) . . ?
C3 C1 N1 105.9(2) . . ?
C3 C1 H1 127.1 . . ?
N1 C1 H1 127.1 . . ?
C21 P1 C33 99.81(12) . . ?
C21 P1 C27 102.40(12) . . ?
C33 P1 C27 105.51(13) . . ?
C21 P1 Ru1 116.03(9) . . ?
C33 P1 Ru1 115.24(9) . . ?
C27 P1 Ru1 115.80(9) . . ?
F6 P2 F4 92.4(3) . . ?
F6 P2 F2 91.4(3) . . ?
F4 P2 F2 176.0(3) . . ?
F6 P2 F3 85.3(3) . . ?
F4 P2 F3 89.85(19) . . ?
F2 P2 F3 89.09(18) . . ?
F6 P2 F5 179.3(3) . . ?
F4 P2 F5 87.5(3) . . ?
F2 P2 F5 88.7(2) . . ?
F3 P2 F5 95.4(3) . . ?
F6 P2 F1 94.5(3) . . ?
F4 P2 F1 91.9(2) . . ?
F2 P2 F1 89.16(18) . . ?
F3 P2 F1 178.24(19) . . ?
F5 P2 F1 84.8(2) . . ?
N1 C2 N2 104.2(2) . . ?
N1 C2 Ru1 119.95(18) . . ?
N2 C2 Ru1 135.85(19) . . ?
C1 C3 N2 107.5(2) . . ?
C1 C3 H3 126.3 . . ?
N2 C3 H3 126.3 . . ?
N1 C4 C5 108.6(2) . . ?
N1 C4 H4A 110.0 . . ?
C5 C4 H4A 110.0 . . ?
N1 C4 H4B 110.0 . . ?
C5 C4 H4B 110.0 . . ?
H4A C4 H4B 108.4 . . ?
C6 C5 C7 119.6(2) . . ?
C6 C5 C4 119.3(2) . . ?
C7 C5 C4 114.0(2) . . ?
C6 C5 Ru1 70.66(15) . . ?
C7 C5 Ru1 115.51(19) . . ?
C4 C5 Ru1 109.71(16) . . ?
C5 C6 Ru1 72.37(15) . . ?
C5 C6 H6A 116.3 . . ?
Ru1 C6 H6A 116.3 . . ?
C5 C6 H6B 116.3 . . ?
Ru1 C6 H6B 116.3 . . ?
H6A C6 H6B 113.3 . . ?
C2 N1 C1 111.8(2) . . ?
C2 N1 C4 118.0(2) . . ?
C1 N1 C4 129.6(2) . . ?
C2 N2 C3 110.6(2) . . ?
C2 N2 C8 125.8(2) . . ?
C3 N2 C8 123.5(2) . . ?
C17 C16 C20 108.4(3) . . ?
C17 C16 Ru1 70.79(16) . . ?
C20 C16 Ru1 72.47(16) . . ?
C17 C16 H16 125.7 . . ?
C20 C16 H16 125.7 . . ?
Ru1 C16 H16 125.7 . . ?
C16 C17 C18 107.7(3) . . ?
C16 C17 Ru1 72.79(17) . . ?
C18 C17 Ru1 70.24(15) . . ?
C16 C17 H17 126.1 . . ?
C18 C17 H17 126.1 . . ?
Ru1 C17 H17 126.1 . . ?
C19 C18 C17 107.3(3) . . ?
C19 C18 Ru1 72.82(16) . . ?
C17 C18 Ru1 72.11(16) . . ?
C19 C18 H18 126.1 . . ?
C17 C18 H18 126.1 . . ?
Ru1 C18 H18 126.1 . . ?
C20 C19 C18 108.3(3) . . ?
C20 C19 Ru1 73.08(17) . . ?
C18 C19 Ru1 70.13(16) . . ?
C20 C19 H19 125.8 . . ?
C18 C19 H19 125.8 . . ?
Ru1 C19 H19 125.8 . . ?
C19 C20 C16 108.3(3) . . ?
C19 C20 Ru1 70.68(16) . . ?
C16 C20 Ru1 71.26(16) . . ?
C19 C20 H20 125.8 . . ?
C16 C20 H20 125.8 . . ?
Ru1 C20 H20 125.8 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 C9 113.3(2) . . ?
N2 C8 H8A 108.9 . . ?
C9 C8 H8A 108.9 . . ?
N2 C8 H8B 108.9 . . ?
C9 C8 H8B 108.9 . . ?
H8A C8 H8B 107.7 . . ?
C10 C9 C8 112.1(2) . . ?
C10 C9 H9A 109.2 . . ?
C8 C9 H9A 109.2 . . ?
C10 C9 H9B 109.2 . . ?
C8 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
C15 C10 C11 117.2(3) . . ?
C15 C10 C9 121.1(3) . . ?
C11 C10 C9 121.7(3) . . ?
C12 C11 C10 121.4(4) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C13 C12 C11 120.1(4) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C14 C13 C12 120.7(4) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C13 C14 C15 119.7(4) . . ?
C13 C14 H14 120.2 . . ?
C15 C14 H14 120.2 . . ?
C10 C15 C14 120.8(4) . . ?
C10 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C22 C21 C26 119.7(2) . . ?
C22 C21 P1 120.5(2) . . ?
C26 C21 P1 119.8(2) . . ?
C21 C22 C23 119.7(3) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C24 C23 C22 120.4(3) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C25 120.1(3) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C24 C25 C26 120.3(3) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C25 C26 C21 119.8(3) . . ?
C25 C26 H26 120.1 . . ?
C21 C26 H26 120.1 . . ?
C32 C27 C28 118.5(3) . . ?
C32 C27 P1 121.0(2) . . ?
C28 C27 P1 120.0(2) . . ?
C29 C28 C27 120.4(3) . . ?
C29 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C28 C29 C30 119.9(3) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C31 C30 C29 120.0(3) . . ?
C31 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C30 C31 C32 120.4(3) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C31 C32 C27 120.7(3) . . ?
C31 C32 H32 119.6 . . ?
C27 C32 H32 119.6 . . ?
C38 C33 C34 119.0(3) . . ?
C38 C33 P1 123.5(2) . . ?
C34 C33 P1 117.5(2) . . ?
C35 C34 C33 120.6(3) . . ?
C35 C34 H34 119.7 . . ?
C33 C34 H34 119.7 . . ?
C36 C35 C34 120.0(3) . . ?
C36 C35 H35 120.0 . . ?
C34 C35 H35 120.0 . . ?
C35 C36 C37 119.8(3) . . ?
C35 C36 H36 120.1 . . ?
C37 C36 H36 120.1 . . ?
C36 C37 C38 120.6(3) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 H37 119.7 . . ?
C33 C38 C37 120.0(3) . . ?
C33 C38 H38 120.0 . . ?
C37 C38 H38 120.0 . . ?

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
N1 C1 C3 N2 0.6(4) . . . . ?
N1 C4 C5 C6 -107.8(3) . . . . ?
N1 C4 C5 C7 101.8(3) . . . . ?
N1 C4 C5 Ru1 -29.5(3) . . . . ?
C7 C5 C6 Ru1 -109.0(2) . . . . ?
C4 C5 C6 Ru1 102.3(2) . . . . ?
N2 C2 N1 C1 0.8(3) . . . . ?
Ru1 C2 N1 C1 -178.8(2) . . . . ?
N2 C2 N1 C4 173.0(2) . . . . ?
Ru1 C2 N1 C4 -6.5(3) . . . . ?
C3 C1 N1 C2 -0.9(4) . . . . ?
C3 C1 N1 C4 -172.0(3) . . . . ?
C5 C4 N1 C2 24.7(3) . . . . ?
C5 C4 N1 C1 -164.6(3) . . . . ?
N1 C2 N2 C3 -0.4(3) . . . . ?
Ru1 C2 N2 C3 179.1(2) . . . . ?
N1 C2 N2 C8 -177.9(2) . . . . ?
Ru1 C2 N2 C8 1.5(4) . . . . ?
C1 C3 N2 C2 -0.1(4) . . . . ?
C1 C3 N2 C8 177.5(3) . . . . ?
C20 C16 C17 C18 -1.2(3) . . . . ?
Ru1 C16 C17 C18 61.93(19) . . . . ?
C20 C16 C17 Ru1 -63.1(2) . . . . ?
C16 C17 C18 C19 1.2(3) . . . . ?
Ru1 C17 C18 C19 64.80(19) . . . . ?
C16 C17 C18 Ru1 -63.6(2) . . . . ?
C17 C18 C19 C20 -0.8(3) . . . . ?
Ru1 C18 C19 C20 63.5(2) . . . . ?
C17 C18 C19 Ru1 -64.33(19) . . . . ?
C18 C19 C20 C16 0.0(3) . . . . ?
Ru1 C19 C20 C16 61.7(2) . . . . ?
C18 C19 C20 Ru1 -61.7(2) . . . . ?
C17 C16 C20 C19 0.7(3) . . . . ?
Ru1 C16 C20 C19 -61.3(2) . . . . ?
C17 C16 C20 Ru1 62.1(2) . . . . ?
C2 N2 C8 C9 -104.4(3) . . . . ?
C3 N2 C8 C9 78.3(3) . . . . ?
N2 C8 C9 C10 163.4(2) . . . . ?
C8 C9 C10 C15 -152.2(3) . . . . ?
C8 C9 C10 C11 25.5(4) . . . . ?
C15 C10 C11 C12 -0.9(5) . . . . ?
C9 C10 C11 C12 -178.8(3) . . . . ?
C10 C11 C12 C13 -1.8(5) . . . . ?
C11 C12 C13 C14 1.4(6) . . . . ?
C12 C13 C14 C15 1.7(6) . . . . ?
C11 C10 C15 C14 4.0(5) . . . . ?
C9 C10 C15 C14 -178.1(3) . . . . ?
C13 C14 C15 C10 -4.5(6) . . . . ?
C33 P1 C21 C22 145.7(2) . . . . ?
C27 P1 C21 C22 -105.9(2) . . . . ?
Ru1 P1 C21 C22 21.2(3) . . . . ?
C33 P1 C21 C26 -36.6(3) . . . . ?
C27 P1 C21 C26 71.8(2) . . . . ?
Ru1 P1 C21 C26 -161.1(2) . . . . ?
C26 C21 C22 C23 -1.3(4) . . . . ?
P1 C21 C22 C23 176.5(2) . . . . ?
C21 C22 C23 C24 1.5(4) . . . . ?
C22 C23 C24 C25 -0.6(5) . . . . ?
C23 C24 C25 C26 -0.5(5) . . . . ?
C24 C25 C26 C21 0.7(4) . . . . ?
C22 C21 C26 C25 0.2(4) . . . . ?
P1 C21 C26 C25 -177.6(2) . . . . ?
C21 P1 C27 C32 -166.2(2) . . . . ?
C33 P1 C27 C32 -62.2(2) . . . . ?
Ru1 P1 C27 C32 66.5(2) . . . . ?
C21 P1 C27 C28 22.0(3) . . . . ?
C33 P1 C27 C28 126.0(2) . . . . ?
Ru1 P1 C27 C28 -105.3(2) . . . . ?
C32 C27 C28 C29 -2.4(4) . . . . ?
P1 C27 C28 C29 169.6(2) . . . . ?
C27 C28 C29 C30 0.5(4) . . . . ?
C28 C29 C30 C31 1.6(4) . . . . ?
C29 C30 C31 C32 -1.9(5) . . . . ?
C30 C31 C32 C27 0.0(5) . . . . ?
C28 C27 C32 C31 2.1(4) . . . . ?
P1 C27 C32 C31 -169.8(2) . . . . ?
C21 P1 C33 C38 119.3(3) . . . . ?
C27 P1 C33 C38 13.4(3) . . . . ?
Ru1 P1 C33 C38 -115.7(2) . . . . ?
C21 P1 C33 C34 -59.5(2) . . . . ?
C27 P1 C33 C34 -165.4(2) . . . . ?
Ru1 P1 C33 C34 65.5(2) . . . . ?
C38 C33 C34 C35 1.5(4) . . . . ?
P1 C33 C34 C35 -179.7(2) . . . . ?
C33 C34 C35 C36 0.5(4) . . . . ?
C34 C35 C36 C37 -1.8(5) . . . . ?
C35 C36 C37 C38 1.2(5) . . . . ?
C34 C33 C38 C37 -2.1(4) . . . . ?
P1 C33 C38 C37 179.1(3) . . . . ?
C36 C37 C38 C33 0.8(5) . . . . ?

_refine_diff_density_max         1.080
_refine_diff_density_min         -0.871
_refine_diff_density_rms         0.084

_shelxl_version_number           2013-3

####################################################################### 
# 
# 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_mo_FMR3_0m
_database_code_depnum_ccdc_archive 'CCDC 1901389'
loop_
_audit_author_name
_audit_author_address
'Frederick Malan'
;University of Pretoria
South Africa
;
_audit_update_record             
;
2019-03-06 deposited with the CCDC.	2019-05-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H37 As2 Cl3 Ru'
_chemical_formula_weight         898.97

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
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'
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                   9.931(7)
_cell_length_b                   14.018(10)
_cell_length_c                   14.536(10)
_cell_angle_alpha                102.99(2)
_cell_angle_beta                 104.958(18)
_cell_angle_gamma                98.90(2)
_cell_volume                     1856(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9728
_cell_measurement_theta_min      2.37
_cell_measurement_theta_max      28.32

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_F_000             900
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.275
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.185
_exptl_absorpt_coefficient_mu    2.438
_shelx_estimated_absorpt_T_min   0.554
_shelx_estimated_absorpt_T_max   0.661
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6763
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0906 before and 0.0383 after correction.
The Ratio of minimum to maximum transmission is 0.9069.
The λ/2 correction factor is Not present.
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            84426
_diffrn_reflns_av_unetI/netI     0.0303
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.242
_diffrn_reflns_theta_max         28.347
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9240
_reflns_number_gt                7612
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.0139P)²+2.1075P] 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         9240
_refine_ls_number_parameters     433
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0264
_refine_ls_wR_factor_ref         0.0524
_refine_ls_wR_factor_gt          0.0482
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_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
Ru1 Ru 0.08706(2) 0.24226(2) 0.19742(2) 0.01225(4) Uani 1 1 d . . . . .
As1 As 0.30320(2) 0.31885(2) 0.16912(2) 0.01287(5) Uani 1 1 d . . . . .
As2 As 0.18359(2) 0.16564(2) 0.32721(2) 0.01483(5) Uani 1 1 d . . . . .
Cl3 Cl 1.02903(10) 0.71730(7) 0.31400(7) 0.0669(3) Uani 1 1 d . . . . .
C1 C -0.1220(2) 0.25484(17) 0.11075(16) 0.0214(5) Uani 1 1 d . . . . .
H1 H -0.1583 0.3138 0.1229 0.026 Uiso 1 1 calc R U . . .
C2 C -0.1424(2) 0.17436(17) 0.15402(16) 0.0208(5) Uani 1 1 d . . . . .
H2 H -0.1957 0.1693 0.1991 0.025 Uiso 1 1 calc R U . . .
C3 C -0.0680(2) 0.10269(16) 0.11713(16) 0.0200(5) Uani 1 1 d . . . . .
H3 H -0.0624 0.0415 0.1342 0.024 Uiso 1 1 calc R U . . .
C4 C -0.0037(2) 0.13770(16) 0.05087(15) 0.0186(4) Uani 1 1 d . . . . .
H4 H 0.0522 0.1046 0.0158 0.022 Uiso 1 1 calc R U . . .
C5 C -0.0386(2) 0.23250(17) 0.04662(15) 0.0202(5) Uani 1 1 d . . . . .
H5 H -0.0106 0.2732 0.0075 0.024 Uiso 1 1 calc R U . . .
C6 C 0.3283(2) 0.23807(16) 0.04934(15) 0.0161(4) Uani 1 1 d . . . . .
C7 C 0.2751(2) 0.25868(17) -0.04080(16) 0.0222(5) Uani 1 1 d . . . . .
H7 H 0.2385 0.3173 -0.0422 0.027 Uiso 1 1 calc R U . . .
C8 C 0.2751(3) 0.19422(19) -0.12842(17) 0.0294(6) Uani 1 1 d . . . . .
H8 H 0.2385 0.2091 -0.1894 0.035 Uiso 1 1 calc R U . . .
C9 C 0.3273(3) 0.1091(2) -0.12801(18) 0.0320(6) Uani 1 1 d . . . . .
H9 H 0.3277 0.0656 -0.1883 0.038 Uiso 1 1 calc R U . . .
C10 C 0.3791(3) 0.08747(19) -0.03909(19) 0.0321(6) Uani 1 1 d . . . . .
H10 H 0.4145 0.0283 -0.0384 0.039 Uiso 1 1 calc R U . . .
C11 C 0.3799(2) 0.15111(18) 0.04901(17) 0.0237(5) Uani 1 1 d . . . . .
H11 H 0.4160 0.1354 0.1097 0.028 Uiso 1 1 calc R U . . .
C12 C 0.2967(2) 0.44511(16) 0.13367(15) 0.0167(4) Uani 1 1 d . . . . .
C13 C 0.4146(2) 0.49468(16) 0.11434(16) 0.0204(5) Uani 1 1 d . . . . .
H13 H 0.4979 0.4681 0.1203 0.024 Uiso 1 1 calc R U . . .
C14 C 0.4106(3) 0.58281(17) 0.08645(17) 0.0249(5) Uani 1 1 d . . . . .
H14 H 0.4907 0.6164 0.0728 0.030 Uiso 1 1 calc R U . . .
C15 C 0.2892(3) 0.62167(17) 0.07852(17) 0.0259(5) Uani 1 1 d . . . . .
H15 H 0.2864 0.6819 0.0592 0.031 Uiso 1 1 calc R U . . .
C16 C 0.1727(3) 0.57355(17) 0.09839(17) 0.0255(5) Uani 1 1 d . . . . .
H16 H 0.0901 0.6008 0.0932 0.031 Uiso 1 1 calc R U . . .
C17 C 0.1760(2) 0.48486(16) 0.12614(16) 0.0200(5) Uani 1 1 d . . . . .
H17 H 0.0957 0.4516 0.1399 0.024 Uiso 1 1 calc R U . . .
C18 C 0.4939(2) 0.36218(16) 0.26487(15) 0.0156(4) Uani 1 1 d . . . . .
C19 C 0.5073(2) 0.43329(17) 0.35242(16) 0.0206(5) Uani 1 1 d . . . . .
H19 H 0.4255 0.4555 0.3631 0.025 Uiso 1 1 calc R U . . .
C20 C 0.6396(2) 0.47218(18) 0.42445(17) 0.0235(5) Uani 1 1 d . . . . .
H20 H 0.6485 0.5217 0.4836 0.028 Uiso 1 1 calc R U . . .
C21 C 0.7583(2) 0.43845(18) 0.40970(18) 0.0267(5) Uani 1 1 d . . . . .
H21 H 0.8484 0.4637 0.4595 0.032 Uiso 1 1 calc R U . . .
C22 C 0.7459(2) 0.3681(2) 0.32276(19) 0.0307(6) Uani 1 1 d . . . . .
H22 H 0.8279 0.3457 0.3127 0.037 Uiso 1 1 calc R U . . .
C23 C 0.6142(2) 0.32995(18) 0.24982(17) 0.0253(5) Uani 1 1 d . . . . .
H23 H 0.6064 0.2820 0.1899 0.030 Uiso 1 1 calc R U . . .
C24 C 0.2642(2) 0.04895(16) 0.29363(16) 0.0192(4) Uani 1 1 d . . . . .
C25 C 0.2557(2) 0.00626(17) 0.19596(17) 0.0228(5) Uani 1 1 d . . . . .
H25 H 0.2109 0.0343 0.1456 0.027 Uiso 1 1 calc R U . . .
C26 C 0.3123(3) -0.07719(19) 0.17106(19) 0.0311(6) Uani 1 1 d . . . . .
H26 H 0.3076 -0.1052 0.1041 0.037 Uiso 1 1 calc R U . . .
C27 C 0.3753(3) -0.11936(18) 0.2438(2) 0.0332(6) Uani 1 1 d . . . . .
H27 H 0.4131 -0.1768 0.2267 0.040 Uiso 1 1 calc R U . . .
C28 C 0.3831(3) -0.07789(18) 0.3412(2) 0.0323(6) Uani 1 1 d . . . . .
H28 H 0.4257 -0.1071 0.3912 0.039 Uiso 1 1 calc R U . . .
C29 C 0.3289(3) 0.00616(18) 0.36595(18) 0.0275(5) Uani 1 1 d . . . . .
H29 H 0.3360 0.0350 0.4332 0.033 Uiso 1 1 calc R U . . .
C30 C 0.0212(2) 0.10789(19) 0.36581(16) 0.0252(5) Uani 1 1 d . . . . .
C31 C -0.0160(3) 0.0071(2) 0.36038(18) 0.0348(6) Uani 1 1 d . . . . .
H31 H 0.0417 -0.0372 0.3416 0.042 Uiso 1 1 calc R U . . .
C32 C -0.1384(3) -0.0286(3) 0.3826(2) 0.0555(10) Uani 1 1 d . . . . .
H32 H -0.1644 -0.0978 0.3790 0.067 Uiso 1 1 calc R U . . .
C33 C -0.2230(3) 0.0350(4) 0.4100(2) 0.0646(12) Uani 1 1 d . . . . .
H33 H -0.3071 0.0095 0.4245 0.078 Uiso 1 1 calc R U . . .
C34 C -0.1857(3) 0.1351(3) 0.4161(2) 0.0563(10) Uani 1 1 d . . . . .
H34 H -0.2436 0.1789 0.4354 0.068 Uiso 1 1 calc R U . . .
C35 C -0.0630(3) 0.1726(2) 0.39397(19) 0.0363(6) Uani 1 1 d . . . . .
H35 H -0.0371 0.2419 0.3981 0.044 Uiso 1 1 calc R U . . .
C36 C 0.3237(2) 0.23378(16) 0.45736(15) 0.0171(4) Uani 1 1 d . . . . .
C37 C 0.2837(3) 0.25647(17) 0.54314(16) 0.0228(5) Uani 1 1 d . . . . .
H37 H 0.1855 0.2417 0.5395 0.027 Uiso 1 1 calc R U . . .
C38 C 0.3877(3) 0.30097(18) 0.63453(17) 0.0293(6) Uani 1 1 d . . . . .
H38 H 0.3600 0.3160 0.6931 0.035 Uiso 1 1 calc R U . . .
C39 C 0.5302(3) 0.32337(17) 0.64075(17) 0.0273(5) Uani 1 1 d . . . . .
H39 H 0.6006 0.3539 0.7033 0.033 Uiso 1 1 calc R U . . .
C40 C 0.5705(2) 0.30125(18) 0.55548(17) 0.0259(5) Uani 1 1 d . . . . .
H40 H 0.6687 0.3165 0.5595 0.031 Uiso 1 1 calc R U . . .
C41 C 0.4674(2) 0.25671(17) 0.46396(16) 0.0215(5) Uani 1 1 d . . . . .
H41 H 0.4956 0.2419 0.4056 0.026 Uiso 1 1 calc R U . . .
Cl1 Cl 0.12060(5) 0.39547(4) 0.33023(4) 0.01894(11) Uani 1 1 d . . . . .
Cl2 Cl 0.82592(7) 0.54215(6) 0.16807(5) 0.04238(17) Uani 1 1 d . . . . .
C42 C 0.9372(4) 0.5931(2) 0.2921(2) 0.0477(8) Uani 1 1 d . . . . .
H42A H 0.8780 0.5912 0.3373 0.057 Uiso 1 1 calc R U . . .
H42B H 1.0073 0.5512 0.3067 0.057 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
Ru1 C3 2.162(2) . ?
Ru1 C4 2.167(2) . ?
Ru1 C5 2.187(2) . ?
Ru1 C1 2.189(2) . ?
Ru1 C2 2.194(3) . ?
Ru1 As1 2.4229(14) . ?
Ru1 As2 2.4346(12) . ?
Ru1 Cl1 2.4562(15) . ?
As1 C18 1.948(2) . ?
As1 C6 1.950(2) . ?
As1 C12 1.957(2) . ?
As2 C24 1.950(2) . ?
As2 C30 1.959(2) . ?
As2 C36 1.961(2) . ?
Cl3 C42 1.754(3) . ?
C1 C5 1.414(3) . ?
C1 C2 1.422(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.427(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.418(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.435(3) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.393(3) . ?
C6 C11 1.393(3) . ?
C7 C8 1.386(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.373(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.382(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.384(3) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C17 1.388(3) . ?
C12 C13 1.392(3) . ?
C13 C14 1.387(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.386(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.377(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.393(3) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.390(3) . ?
C18 C23 1.392(3) . ?
C19 C20 1.389(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.385(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.381(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.391(3) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C25 1.386(3) . ?
C24 C29 1.390(3) . ?
C25 C26 1.390(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.383(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.382(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.383(3) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 C31 1.383(4) . ?
C30 C35 1.390(4) . ?
C31 C32 1.386(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.380(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.371(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.395(4) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 C41 1.387(3) . ?
C36 C37 1.390(3) . ?
C37 C38 1.393(3) . ?
C37 H37 0.9500 . ?
C38 C39 1.376(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.383(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.390(3) . ?
C40 H40 0.9500 . ?
C41 H41 0.9500 . ?
Cl2 C42 1.769(3) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?

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
C3 Ru1 C4 38.23(8) . . ?
C3 Ru1 C5 63.76(9) . . ?
C4 Ru1 C5 38.49(9) . . ?
C3 Ru1 C1 63.64(9) . . ?
C4 Ru1 C1 63.93(9) . . ?
C5 Ru1 C1 37.71(8) . . ?
C3 Ru1 C2 38.23(8) . . ?
C4 Ru1 C2 64.07(8) . . ?
C5 Ru1 C2 63.45(9) . . ?
C1 Ru1 C2 37.88(9) . . ?
C3 Ru1 As1 130.99(7) . . ?
C4 Ru1 As1 95.81(7) . . ?
C5 Ru1 As1 90.79(7) . . ?
C1 Ru1 As1 120.15(8) . . ?
C2 Ru1 As1 154.23(6) . . ?
C3 Ru1 As2 89.52(8) . . ?
C4 Ru1 As2 114.26(8) . . ?
C5 Ru1 As2 151.83(6) . . ?
C1 Ru1 As2 138.38(6) . . ?
C2 Ru1 As2 101.59(7) . . ?
As1 Ru1 As2 101.46(4) . . ?
C3 Ru1 Cl1 140.13(7) . . ?
C4 Ru1 Cl1 156.73(6) . . ?
C5 Ru1 Cl1 118.85(7) . . ?
C1 Ru1 Cl1 94.15(7) . . ?
C2 Ru1 Cl1 104.04(7) . . ?
As1 Ru1 Cl1 88.49(4) . . ?
As2 Ru1 Cl1 87.06(6) . . ?
C18 As1 C6 104.92(10) . . ?
C18 As1 C12 97.31(9) . . ?
C6 As1 C12 99.61(10) . . ?
C18 As1 Ru1 126.05(7) . . ?
C6 As1 Ru1 110.79(7) . . ?
C12 As1 Ru1 114.46(7) . . ?
C24 As2 C30 101.32(11) . . ?
C24 As2 C36 98.32(10) . . ?
C30 As2 C36 101.01(10) . . ?
C24 As2 Ru1 118.78(7) . . ?
C30 As2 Ru1 106.55(8) . . ?
C36 As2 Ru1 126.99(7) . . ?
C5 C1 C2 108.6(2) . . ?
C5 C1 Ru1 71.06(13) . . ?
C2 C1 Ru1 71.26(12) . . ?
C5 C1 H1 125.7 . . ?
C2 C1 H1 125.7 . . ?
Ru1 C1 H1 123.6 . . ?
C1 C2 C3 107.2(2) . . ?
C1 C2 Ru1 70.86(12) . . ?
C3 C2 Ru1 69.66(12) . . ?
C1 C2 H2 126.4 . . ?
C3 C2 H2 126.4 . . ?
Ru1 C2 H2 124.7 . . ?
C4 C3 C2 108.8(2) . . ?
C4 C3 Ru1 71.07(12) . . ?
C2 C3 Ru1 72.10(13) . . ?
C4 C3 H3 125.6 . . ?
C2 C3 H3 125.6 . . ?
Ru1 C3 H3 122.9 . . ?
C3 C4 C5 107.25(19) . . ?
C3 C4 Ru1 70.70(13) . . ?
C5 C4 Ru1 71.51(12) . . ?
C3 C4 H4 126.4 . . ?
C5 C4 H4 126.4 . . ?
Ru1 C4 H4 123.1 . . ?
C1 C5 C4 108.1(2) . . ?
C1 C5 Ru1 71.22(13) . . ?
C4 C5 Ru1 70.00(12) . . ?
C1 C5 H5 126.0 . . ?
C4 C5 H5 126.0 . . ?
Ru1 C5 H5 124.4 . . ?
C7 C6 C11 118.5(2) . . ?
C7 C6 As1 119.69(17) . . ?
C11 C6 As1 121.17(16) . . ?
C8 C7 C6 120.4(2) . . ?
C8 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
C9 C8 C7 120.8(2) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C8 C9 C10 119.3(2) . . ?
C8 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
C9 C10 C11 120.6(2) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.7 . . ?
C10 C11 C6 120.4(2) . . ?
C10 C11 H11 119.8 . . ?
C6 C11 H11 119.8 . . ?
C17 C12 C13 119.8(2) . . ?
C17 C12 As1 121.04(16) . . ?
C13 C12 As1 119.20(16) . . ?
C14 C13 C12 120.0(2) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C15 C14 C13 119.8(2) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C16 C15 C14 120.5(2) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 119.9(2) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C12 C17 C16 120.0(2) . . ?
C12 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C19 C18 C23 119.4(2) . . ?
C19 C18 As1 115.59(16) . . ?
C23 C18 As1 124.93(17) . . ?
C20 C19 C18 120.5(2) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C21 C20 C19 119.7(2) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C22 C21 C20 120.1(2) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 120.4(2) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C22 C23 C18 119.8(2) . . ?
C22 C23 H23 120.1 . . ?
C18 C23 H23 120.1 . . ?
C25 C24 C29 118.8(2) . . ?
C25 C24 As2 120.03(16) . . ?
C29 C24 As2 121.20(17) . . ?
C24 C25 C26 120.6(2) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C27 C26 C25 120.0(2) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 119.9(2) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C27 C28 C29 119.9(2) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C28 C29 C24 120.9(2) . . ?
C28 C29 H29 119.6 . . ?
C24 C29 H29 119.6 . . ?
C31 C30 C35 120.2(2) . . ?
C31 C30 As2 123.1(2) . . ?
C35 C30 As2 116.5(2) . . ?
C30 C31 C32 119.2(3) . . ?
C30 C31 H31 120.4 . . ?
C32 C31 H31 120.4 . . ?
C33 C32 C31 120.9(3) . . ?
C33 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?
C34 C33 C32 119.9(3) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C35 120.1(3) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C30 C35 C34 119.6(3) . . ?
C30 C35 H35 120.2 . . ?
C34 C35 H35 120.2 . . ?
C41 C36 C37 119.3(2) . . ?
C41 C36 As2 118.70(16) . . ?
C37 C36 As2 121.97(17) . . ?
C36 C37 C38 119.9(2) . . ?
C36 C37 H37 120.0 . . ?
C38 C37 H37 120.0 . . ?
C39 C38 C37 120.6(2) . . ?
C39 C38 H38 119.7 . . ?
C37 C38 H38 119.7 . . ?
C38 C39 C40 119.7(2) . . ?
C38 C39 H39 120.2 . . ?
C40 C39 H39 120.2 . . ?
C39 C40 C41 120.2(2) . . ?
C39 C40 H40 119.9 . . ?
C41 C40 H40 119.9 . . ?
C36 C41 C40 120.4(2) . . ?
C36 C41 H41 119.8 . . ?
C40 C41 H41 119.8 . . ?
Cl3 C42 Cl2 111.86(17) . . ?
Cl3 C42 H42A 109.2 . . ?
Cl2 C42 H42A 109.2 . . ?
Cl3 C42 H42B 109.2 . . ?
Cl2 C42 H42B 109.2 . . ?
H42A C42 H42B 107.9 . . ?

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
C5 C1 C2 C3 1.1(2) . . . . ?
Ru1 C1 C2 C3 -60.47(15) . . . . ?
C5 C1 C2 Ru1 61.59(15) . . . . ?
C1 C2 C3 C4 -0.7(2) . . . . ?
Ru1 C2 C3 C4 -61.95(15) . . . . ?
C1 C2 C3 Ru1 61.24(15) . . . . ?
C2 C3 C4 C5 0.0(2) . . . . ?
Ru1 C3 C4 C5 -62.57(15) . . . . ?
C2 C3 C4 Ru1 62.60(15) . . . . ?
C2 C1 C5 C4 -1.1(2) . . . . ?
Ru1 C1 C5 C4 60.61(14) . . . . ?
C2 C1 C5 Ru1 -61.72(15) . . . . ?
C3 C4 C5 C1 0.7(2) . . . . ?
Ru1 C4 C5 C1 -61.38(15) . . . . ?
C3 C4 C5 Ru1 62.04(15) . . . . ?
C11 C6 C7 C8 -0.6(3) . . . . ?
As1 C6 C7 C8 -171.48(18) . . . . ?
C6 C7 C8 C9 0.0(4) . . . . ?
C7 C8 C9 C10 0.6(4) . . . . ?
C8 C9 C10 C11 -0.6(4) . . . . ?
C9 C10 C11 C6 0.1(4) . . . . ?
C7 C6 C11 C10 0.5(3) . . . . ?
As1 C6 C11 C10 171.28(18) . . . . ?
C17 C12 C13 C14 -0.8(3) . . . . ?
As1 C12 C13 C14 178.23(17) . . . . ?
C12 C13 C14 C15 0.4(3) . . . . ?
C13 C14 C15 C16 0.2(3) . . . . ?
C14 C15 C16 C17 -0.4(3) . . . . ?
C13 C12 C17 C16 0.6(3) . . . . ?
As1 C12 C17 C16 -178.40(17) . . . . ?
C15 C16 C17 C12 0.0(3) . . . . ?
C23 C18 C19 C20 0.1(3) . . . . ?
As1 C18 C19 C20 -177.71(17) . . . . ?
C18 C19 C20 C21 -1.2(3) . . . . ?
C19 C20 C21 C22 1.5(4) . . . . ?
C20 C21 C22 C23 -0.6(4) . . . . ?
C21 C22 C23 C18 -0.5(4) . . . . ?
C19 C18 C23 C22 0.8(3) . . . . ?
As1 C18 C23 C22 178.36(19) . . . . ?
C29 C24 C25 C26 -0.6(3) . . . . ?
As2 C24 C25 C26 -179.73(18) . . . . ?
C24 C25 C26 C27 1.2(4) . . . . ?
C25 C26 C27 C28 -0.6(4) . . . . ?
C26 C27 C28 C29 -0.5(4) . . . . ?
C27 C28 C29 C24 1.0(4) . . . . ?
C25 C24 C29 C28 -0.5(4) . . . . ?
As2 C24 C29 C28 178.61(19) . . . . ?
C35 C30 C31 C32 0.5(4) . . . . ?
As2 C30 C31 C32 -175.53(18) . . . . ?
C30 C31 C32 C33 0.0(4) . . . . ?
C31 C32 C33 C34 -0.5(4) . . . . ?
C32 C33 C34 C35 0.5(4) . . . . ?
C31 C30 C35 C34 -0.4(4) . . . . ?
As2 C30 C35 C34 175.8(2) . . . . ?
C33 C34 C35 C30 -0.1(4) . . . . ?
C41 C36 C37 C38 -0.6(3) . . . . ?
As2 C36 C37 C38 177.18(17) . . . . ?
C36 C37 C38 C39 0.4(4) . . . . ?
C37 C38 C39 C40 -0.2(4) . . . . ?
C38 C39 C40 C41 0.1(4) . . . . ?
C37 C36 C41 C40 0.5(3) . . . . ?
As2 C36 C41 C40 -177.35(17) . . . . ?
C39 C40 C41 C36 -0.2(3) . . . . ?

_refine_diff_density_max         0.467
_refine_diff_density_min         -0.628
_refine_diff_density_rms         0.086

_shelxl_version_number           2013-3

####################################################################### 
# 
# 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_mo_fmr9_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 1901391'
loop_
_audit_author_name
_audit_author_address
'Frederick Malan'
;University of Pretoria
South Africa
;
_audit_update_record             
;
2019-03-06 deposited with the CCDC.	2019-05-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H36 F6 N2 P2 Ru'
_chemical_formula_weight         749.66

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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                   18.0319(9)
_cell_length_b                   13.2824(6)
_cell_length_c                   29.0663(14)
_cell_angle_alpha                90
_cell_angle_beta                 99.842(2)
_cell_angle_gamma                90
_cell_volume                     6859.1(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9977
_cell_measurement_theta_min      2.50
_cell_measurement_theta_max      26.40

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_F_000             3056
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.213
_exptl_crystal_size_mid          0.191
_exptl_crystal_size_min          0.098
_exptl_absorpt_coefficient_mu    0.609
_shelx_estimated_absorpt_T_min   0.881
_shelx_estimated_absorpt_T_max   0.943
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7016
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1090 before and 0.0427 after correction.
The Ratio of minimum to maximum transmission is 0.9412.
The λ/2 correction factor is Not present.
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            137067
_diffrn_reflns_av_unetI/netI     0.0164
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         2.265
_diffrn_reflns_theta_max         26.456
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7046
_reflns_number_gt                6491
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
# SQUEEZE RESULTS (Version = 260217)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
  _platon_squeeze_void_nr
  _platon_squeeze_void_average_x
  _platon_squeeze_void_average_y
  _platon_squeeze_void_average_z
  _platon_squeeze_void_volume
  _platon_squeeze_void_count_electrons
  _platon_squeeze_void_content
   1  1.000  0.130  0.250       149        50 ' '
   2  1.000 -0.130  0.750       148        50 ' '
   3  0.500  0.139  0.250         9         0 ' '
   4  0.500  0.370  0.750       148        50 ' '
   5  0.000  0.361  0.750         9         0 ' '
   6  0.500  0.630  0.250       149        50 ' '
   7  0.000  0.639  0.250         9         0 ' '
   8  0.500  0.861  0.750         9         0 ' '
# Missing Reflections Below sin(th)/lambda = 0.25
loop_
  _platon_missing_refln_index_h
  _platon_missing_refln_index_k
  _platon_missing_refln_index_l
  _platon_missing_refln_theta
    1    1    0     1.914
   -1    1    1     1.973
    1    1    1     2.109
    0    2    1     3.149
    0    0    2     1.422
    1    1    2     2.499
   -1    1    6     4.498
_platon_squeeze_void_probe_radius                  1.20
_platon_squeeze_details
TITL mo_FMR9_0mC 2/c        R = 0.11
CELL   18.0319   13.2824   29.0663     90.00     99.84     90.00
SPGR C2/c
# Solvent Accessible Volume =       632
# Electrons Found in S.A.V. =       198
# Note: Atoms in Void as Cxxx and Qxxx all others
C101 0.065 0.068 0.283 !      12.52 eA-3
C102 0.015 0.244 0.252 !       7.45 eA-3
C103 0.491 0.353 0.767 !       2.41 eA-3
C104 0.433 0.339 0.750 !       2.03 eA-3
Q105 0.609 0.427 0.617 !       0.94 eA-3
Q106 0.592 0.082 0.166 !       0.90 eA-3
Q107 0.587 0.076 0.108 !       0.86 eA-3
Q108 0.772 0.081 0.361 !       0.84 eA-3
Q109 0.564 0.050 0.135 !       0.80 eA-3
Q110 0.623 0.106 0.139 !       0.79 eA-3
Q111 0.943 0.142 0.643 !       0.78 eA-3
Q112 0.817 0.435 0.969 !       0.77 eA-3
Q113 0.471 0.082 0.123 !       0.77 eA-3
Q114 0.810 0.448 0.797 !       0.76 eA-3
Q115 0.343 0.255 0.888 !       0.70 eA-3
Q116 0.187 0.320 0.709 !       0.69 eA-3
Q117 0.689 0.376 0.922 !       0.69 eA-3
Q118 0.131 0.269 0.680 !       0.68 eA-3
Q119 0.867 0.466 0.760 !       0.67 eA-3
Q120 0.717 0.022 0.971 !       0.65 eA-3
Q121 0.092 0.151 0.143 !       0.63 eA-3
Q122 0.315 0.082 0.960 !       0.63 eA-3
Q123 0.851 0.394 0.888 !       0.60 eA-3
Q124 0.300 0.093 0.976 !       0.58 eA-3
Q125 0.136 0.110 0.185 !       0.58 eA-3
Q126 0.923 0.156 0.838 !       0.57 eA-3
Q127 0.016 0.471 0.906 !       0.57 eA-3
Q128 0.331 0.363 0.271 !       0.54 eA-3
Q129 0.410 0.277 0.196 !       0.54 eA-3
Q130 0.588 0.458 0.748 !       0.52 eA-3
Q131 0.985 0.133 0.306 !       0.52 eA-3
Q132 0.696 0.450 0.627 !       0.51 eA-3
Q133 0.031 0.319 0.216 !       0.50 eA-3
Q134 0.882 0.228 0.334 !       0.50 eA-3
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0284P)²+22.5460P] 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         7046
_refine_ls_number_parameters     408
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0351
_refine_ls_wR_factor_ref         0.0842
_refine_ls_wR_factor_gt          0.0824
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_restrained_S_all      1.132
_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
Ru1 Ru 0.58873(2) 0.92060(2) 0.63572(2) 0.02199(7) Uani 1 1 d . . . . .
C1 C 0.6605(2) 0.6668(3) 0.71702(12) 0.0503(9) Uani 1 1 d . . . . .
H1 H 0.6952 0.6377 0.7417 0.060 Uiso 1 1 calc R U . . .
N1 N 0.65956(14) 0.7657(2) 0.70187(8) 0.0367(6) Uani 1 1 d . . . . .
N2 N 0.56796(14) 0.69069(18) 0.65847(9) 0.0357(5) Uani 1 1 d . . . . .
C2 C 0.60330(15) 0.7812(2) 0.66520(9) 0.0274(5) Uani 1 1 d . . . . .
C3 C 0.6032(2) 0.6203(3) 0.69032(12) 0.0500(9) Uani 1 1 d . . . . .
H3 H 0.5890 0.5518 0.6926 0.060 Uiso 1 1 calc R U . . .
C4 C 0.71484(18) 0.8446(3) 0.71421(10) 0.0441(8) Uani 1 1 d . . . . .
H4A H 0.7585 0.8333 0.6983 0.053 Uiso 1 1 calc R U . . .
H4B H 0.7330 0.8445 0.7483 0.053 Uiso 1 1 calc R U . . .
C5 C 0.67771(16) 0.9449(2) 0.69911(10) 0.0344(6) Uani 1 1 d . . . . .
C6 C 0.69829(16) 0.9960(2) 0.66127(10) 0.0353(6) Uani 1 1 d . . . . .
H6A H 0.7425 0.9692 0.6492 0.042 Uiso 1 1 calc R U . . .
H6B H 0.6973 1.0704 0.6627 0.042 Uiso 1 1 calc R U . . .
C7 C 0.6529(2) 1.0016(3) 0.73927(11) 0.0497(9) Uani 1 1 d . . . . .
H7A H 0.6336 1.0679 0.7284 0.075 Uiso 1 1 calc R U . . .
H7B H 0.6960 1.0099 0.7646 0.075 Uiso 1 1 calc R U . . .
H7C H 0.6133 0.9635 0.7507 0.075 Uiso 1 1 calc R U . . .
C8 C 0.50449(18) 0.6662(2) 0.62208(11) 0.0411(7) Uani 1 1 d . . . . .
H8A H 0.5131 0.5985 0.6097 0.049 Uiso 1 1 calc R U . . .
H8B H 0.5037 0.7148 0.5962 0.049 Uiso 1 1 calc R U . . .
C9 C 0.4287(2) 0.6667(3) 0.63650(13) 0.0527(9) Uani 1 1 d . . . . .
C10 C 0.4178(3) 0.6861(4) 0.67943(16) 0.0787(14) Uani 1 1 d . . . . .
H10A H 0.4595 0.7007 0.7032 0.094 Uiso 1 1 calc R U . . .
H10B H 0.3683 0.6853 0.6865 0.094 Uiso 1 1 calc R U . . .
C11 C 0.3652(2) 0.6459(4) 0.59720(17) 0.0723(12) Uani 1 1 d . . . . .
H11A H 0.3678 0.6929 0.5715 0.108 Uiso 1 1 calc R U . . .
H11B H 0.3171 0.6544 0.6082 0.108 Uiso 1 1 calc R U . . .
H11C H 0.3692 0.5766 0.5862 0.108 Uiso 1 1 calc R U . . .
C12 C 0.59576(14) 0.76658(18) 0.53714(8) 0.0229(5) Uani 1 1 d . . . . .
C13 C 0.52684(16) 0.7957(2) 0.51098(9) 0.0308(6) Uani 1 1 d . . . . .
H13 H 0.5091 0.8623 0.5141 0.037 Uiso 1 1 calc R U . . .
C14 C 0.48386(18) 0.7298(3) 0.48058(10) 0.0401(7) Uani 1 1 d . . . . .
H14 H 0.4373 0.7513 0.4629 0.048 Uiso 1 1 calc R U . . .
C15 C 0.5089(2) 0.6325(3) 0.47594(11) 0.0457(8) Uani 1 1 d . . . . .
H15 H 0.4793 0.5866 0.4555 0.055 Uiso 1 1 calc R U . . .
C16 C 0.5771(2) 0.6026(2) 0.50118(12) 0.0441(8) Uani 1 1 d . . . . .
H16 H 0.5944 0.5359 0.4979 0.053 Uiso 1 1 calc R U . . .
C17 C 0.62079(16) 0.6690(2) 0.53136(10) 0.0319(6) Uani 1 1 d . . . . .
H17 H 0.6681 0.6477 0.5481 0.038 Uiso 1 1 calc R U . . .
C18 C 0.66967(13) 0.95309(18) 0.53434(8) 0.0211(5) Uani 1 1 d . . . . .
C19 C 0.67368(15) 1.05529(19) 0.54538(9) 0.0266(5) Uani 1 1 d . . . . .
H19 H 0.6621 1.0774 0.5744 0.032 Uiso 1 1 calc R U . . .
C20 C 0.69457(16) 1.1253(2) 0.51425(10) 0.0324(6) Uani 1 1 d . . . . .
H20 H 0.6973 1.1947 0.5222 0.039 Uiso 1 1 calc R U . . .
C21 C 0.71124(16) 1.0939(2) 0.47200(10) 0.0314(6) Uani 1 1 d . . . . .
H21 H 0.7257 1.1416 0.4508 0.038 Uiso 1 1 calc R U . . .
C22 C 0.70681(16) 0.9923(2) 0.46046(9) 0.0303(6) Uani 1 1 d . . . . .
H22 H 0.7183 0.9706 0.4313 0.036 Uiso 1 1 calc R U . . .
C23 C 0.68579(15) 0.9226(2) 0.49119(9) 0.0267(5) Uani 1 1 d . . . . .
H23 H 0.6823 0.8534 0.4828 0.032 Uiso 1 1 calc R U . . .
C24 C 0.73970(14) 0.8001(2) 0.59615(8) 0.0263(5) Uani 1 1 d . . . . .
C25 C 0.80583(16) 0.8478(2) 0.58958(10) 0.0359(6) Uani 1 1 d . . . . .
H25 H 0.8035 0.9077 0.5715 0.043 Uiso 1 1 calc R U . . .
C26 C 0.87528(18) 0.8081(3) 0.60948(12) 0.0526(9) Uani 1 1 d . . . . .
H26 H 0.9202 0.8414 0.6052 0.063 Uiso 1 1 calc R U . . .
C27 C 0.8795(2) 0.7209(3) 0.63523(12) 0.0621(12) Uani 1 1 d . . . . .
H27 H 0.9271 0.6946 0.6490 0.075 Uiso 1 1 calc R U . . .
C28 C 0.8146(2) 0.6716(3) 0.64101(11) 0.0538(10) Uani 1 1 d . . . . .
H28 H 0.8177 0.6106 0.6583 0.065 Uiso 1 1 calc R U . . .
C29 C 0.74452(18) 0.7102(2) 0.62181(9) 0.0360(7) Uani 1 1 d . . . . .
H29 H 0.7000 0.6758 0.6260 0.043 Uiso 1 1 calc R U . . .
C30 C 0.46971(17) 0.9339(3) 0.64850(12) 0.0425(8) Uani 1 1 d . . . . .
H30 H 0.4444 0.8873 0.6680 0.051 Uiso 1 1 calc R U . . .
C31 C 0.47005(16) 0.9239(2) 0.60014(11) 0.0387(7) Uani 1 1 d . . . . .
H31 H 0.4438 0.8705 0.5792 0.046 Uiso 1 1 calc R U . . .
C32 C 0.50675(16) 1.0100(2) 0.58583(11) 0.0395(7) Uani 1 1 d . . . . .
H32 H 0.5117 1.0268 0.5530 0.047 Uiso 1 1 calc R U . . .
C33 C 0.53042(18) 1.0704(2) 0.62475(13) 0.0463(8) Uani 1 1 d . . . . .
H33 H 0.5555 1.1375 0.6248 0.056 Uiso 1 1 calc R U . . .
C34 C 0.50742(18) 1.0228(3) 0.66379(12) 0.0462(8) Uani 1 1 d . . . . .
H34 H 0.5140 1.0506 0.6962 0.055 Uiso 1 1 calc R U . . .
P1 P 0.64819(3) 0.85967(5) 0.57677(2) 0.01941(13) Uani 1 1 d . . . . .
P2 P 0.67590(5) 0.34656(6) 0.64314(3) 0.04051(19) Uani 1 1 d . . . . .
F1 F 0.76362(15) 0.3683(3) 0.64508(11) 0.0947(9) Uani 1 1 d . . . . .
F2 F 0.58976(14) 0.3248(3) 0.64008(9) 0.0905(9) Uani 1 1 d . . . . .
F3 F 0.67557(16) 0.41499(16) 0.68782(7) 0.0731(8) Uani 1 1 d . . . . .
F4 F 0.65789(19) 0.4391(2) 0.60935(9) 0.0937(9) Uani 1 1 d . . . . .
F5 F 0.67669(14) 0.2755(2) 0.59927(8) 0.0755(7) Uani 1 1 d . . . . .
F6 F 0.69841(18) 0.25405(17) 0.67684(9) 0.0872(9) Uani 1 1 d . . . . .


_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 C2 2.038(3) . ?
Ru1 C31 2.212(3) . ?
Ru1 C6 2.226(3) . ?
Ru1 C32 2.228(3) . ?
Ru1 C30 2.247(3) . ?
Ru1 C33 2.247(3) . ?
Ru1 C5 2.250(3) . ?
Ru1 C34 2.251(3) . ?
Ru1 P1 2.3168(6) . ?
C1 C3 1.333(5) . ?
C1 N1 1.384(4) . ?
C1 H1 0.9500 . ?
N1 C2 1.356(3) . ?
N1 C4 1.448(4) . ?
N2 C2 1.359(4) . ?
N2 C3 1.390(4) . ?
N2 C8 1.456(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.522(4) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.395(4) . ?
C5 C7 1.519(4) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.496(5) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.321(6) . ?
C9 C11 1.499(6) . ?
C10 H10A 0.9500 . ?
C10 H10B 0.9500 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C17 1.392(4) . ?
C12 C13 1.396(4) . ?
C12 P1 1.838(3) . ?
C13 C14 1.383(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.383(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.378(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.390(4) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.394(3) . ?
C18 C23 1.395(3) . ?
C18 P1 1.837(2) . ?
C19 C20 1.393(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.378(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.390(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.384(4) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C25 1.392(4) . ?
C24 C29 1.402(4) . ?
C24 P1 1.830(2) . ?
C25 C26 1.391(4) . ?
C25 H25 0.9500 . ?
C26 C27 1.374(6) . ?
C26 H26 0.9500 . ?
C27 C28 1.376(6) . ?
C27 H27 0.9500 . ?
C28 C29 1.388(4) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 C34 1.397(5) . ?
C30 C31 1.413(4) . ?
C30 H30 1.0000 . ?
C31 C32 1.419(5) . ?
C31 H31 1.0000 . ?
C32 C33 1.393(5) . ?
C32 H32 1.0000 . ?
C33 C34 1.421(5) . ?
C33 H33 1.0000 . ?
C34 H34 1.0000 . ?
P2 F2 1.568(3) . ?
P2 F4 1.572(3) . ?
P2 F6 1.580(2) . ?
P2 F3 1.586(2) . ?
P2 F5 1.589(2) . ?
P2 F1 1.599(3) . ?

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
C2 Ru1 C31 105.04(12) . . ?
C2 Ru1 C6 103.00(11) . . ?
C31 Ru1 C6 151.57(12) . . ?
C2 Ru1 C32 141.37(12) . . ?
C31 Ru1 C32 37.26(12) . . ?
C6 Ru1 C32 115.45(12) . . ?
C2 Ru1 C30 93.43(11) . . ?
C31 Ru1 C30 36.93(12) . . ?
C6 Ru1 C30 136.72(12) . . ?
C32 Ru1 C30 61.29(11) . . ?
C2 Ru1 C33 152.54(12) . . ?
C31 Ru1 C33 61.59(13) . . ?
C6 Ru1 C33 90.93(12) . . ?
C32 Ru1 C33 36.26(13) . . ?
C30 Ru1 C33 61.12(12) . . ?
C2 Ru1 C5 76.32(11) . . ?
C31 Ru1 C5 151.31(11) . . ?
C6 Ru1 C5 36.32(11) . . ?
C32 Ru1 C5 139.23(12) . . ?
C30 Ru1 C5 114.89(12) . . ?
C33 Ru1 C5 103.88(12) . . ?
C2 Ru1 C34 116.14(12) . . ?
C31 Ru1 C34 61.28(12) . . ?
C6 Ru1 C34 101.75(12) . . ?
C32 Ru1 C34 60.90(12) . . ?
C30 Ru1 C34 36.20(13) . . ?
C33 Ru1 C34 36.83(13) . . ?
C5 Ru1 C34 91.95(11) . . ?
C2 Ru1 P1 87.19(7) . . ?
C31 Ru1 P1 101.20(8) . . ?
C6 Ru1 P1 84.68(8) . . ?
C32 Ru1 P1 92.54(8) . . ?
C30 Ru1 P1 136.51(9) . . ?
C33 Ru1 P1 117.96(9) . . ?
C5 Ru1 P1 107.48(7) . . ?
C34 Ru1 P1 153.01(9) . . ?
C3 C1 N1 106.8(3) . . ?
C3 C1 H1 126.6 . . ?
N1 C1 H1 126.6 . . ?
C2 N1 C1 111.1(3) . . ?
C2 N1 C4 118.4(2) . . ?
C1 N1 C4 129.6(3) . . ?
C2 N2 C3 110.4(3) . . ?
C2 N2 C8 126.4(2) . . ?
C3 N2 C8 123.1(3) . . ?
N1 C2 N2 104.4(2) . . ?
N1 C2 Ru1 119.6(2) . . ?
N2 C2 Ru1 136.0(2) . . ?
C1 C3 N2 107.2(3) . . ?
C1 C3 H3 126.4 . . ?
N2 C3 H3 126.4 . . ?
N1 C4 C5 108.2(2) . . ?
N1 C4 H4A 110.1 . . ?
C5 C4 H4A 110.1 . . ?
N1 C4 H4B 110.1 . . ?
C5 C4 H4B 110.1 . . ?
H4A C4 H4B 108.4 . . ?
C6 C5 C7 121.2(3) . . ?
C6 C5 C4 119.3(3) . . ?
C7 C5 C4 112.6(3) . . ?
C6 C5 Ru1 70.90(15) . . ?
C7 C5 Ru1 116.0(2) . . ?
C4 C5 Ru1 109.12(18) . . ?
C5 C6 Ru1 72.78(17) . . ?
C5 C6 H6A 116.3 . . ?
Ru1 C6 H6A 116.3 . . ?
C5 C6 H6B 116.3 . . ?
Ru1 C6 H6B 116.3 . . ?
H6A C6 H6B 113.3 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 C9 115.9(3) . . ?
N2 C8 H8A 108.3 . . ?
C9 C8 H8A 108.3 . . ?
N2 C8 H8B 108.3 . . ?
C9 C8 H8B 108.3 . . ?
H8A C8 H8B 107.4 . . ?
C10 C9 C8 123.8(4) . . ?
C10 C9 C11 122.6(4) . . ?
C8 C9 C11 113.6(3) . . ?
C9 C10 H10A 120.0 . . ?
C9 C10 H10B 120.0 . . ?
H10A C10 H10B 120.0 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C17 C12 C13 118.0(2) . . ?
C17 C12 P1 124.0(2) . . ?
C13 C12 P1 118.0(2) . . ?
C14 C13 C12 121.4(3) . . ?
C14 C13 H13 119.3 . . ?
C12 C13 H13 119.3 . . ?
C13 C14 C15 119.8(3) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C16 C15 C14 119.6(3) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C17 120.7(3) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C16 C17 C12 120.4(3) . . ?
C16 C17 H17 119.8 . . ?
C12 C17 H17 119.8 . . ?
C19 C18 C23 118.6(2) . . ?
C19 C18 P1 120.78(19) . . ?
C23 C18 P1 120.51(19) . . ?
C20 C19 C18 120.6(2) . . ?
C20 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
C21 C20 C19 120.1(2) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C20 C21 C22 119.8(3) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C23 C22 C21 120.3(2) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C23 C18 120.5(2) . . ?
C22 C23 H23 119.7 . . ?
C18 C23 H23 119.7 . . ?
C25 C24 C29 119.0(3) . . ?
C25 C24 P1 120.6(2) . . ?
C29 C24 P1 120.2(2) . . ?
C26 C25 C24 120.1(3) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C27 C26 C25 120.6(4) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C26 C27 C28 119.9(3) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C27 C28 C29 120.6(3) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C28 C29 C24 119.8(3) . . ?
C28 C29 H29 120.1 . . ?
C24 C29 H29 120.1 . . ?
C34 C30 C31 108.1(3) . . ?
C34 C30 Ru1 72.06(17) . . ?
C31 C30 Ru1 70.21(16) . . ?
C34 C30 H30 125.9 . . ?
C31 C30 H30 125.9 . . ?
Ru1 C30 H30 125.9 . . ?
C30 C31 C32 107.3(3) . . ?
C30 C31 Ru1 72.86(17) . . ?
C32 C31 Ru1 71.98(16) . . ?
C30 C31 H31 126.1 . . ?
C32 C31 H31 126.1 . . ?
Ru1 C31 H31 126.1 . . ?
C33 C32 C31 108.6(3) . . ?
C33 C32 Ru1 72.61(17) . . ?
C31 C32 Ru1 70.77(16) . . ?
C33 C32 H32 125.6 . . ?
C31 C32 H32 125.6 . . ?
Ru1 C32 H32 125.6 . . ?
C32 C33 C34 107.6(3) . . ?
C32 C33 Ru1 71.13(16) . . ?
C34 C33 Ru1 71.73(17) . . ?
C32 C33 H33 126.1 . . ?
C34 C33 H33 126.1 . . ?
Ru1 C33 H33 126.1 . . ?
C30 C34 C33 108.3(3) . . ?
C30 C34 Ru1 71.74(17) . . ?
C33 C34 Ru1 71.44(16) . . ?
C30 C34 H34 125.8 . . ?
C33 C34 H34 125.8 . . ?
Ru1 C34 H34 125.8 . . ?
C24 P1 C18 102.49(12) . . ?
C24 P1 C12 104.00(12) . . ?
C18 P1 C12 100.28(11) . . ?
C24 P1 Ru1 115.50(8) . . ?
C18 P1 Ru1 115.98(8) . . ?
C12 P1 Ru1 116.43(8) . . ?
F2 P2 F4 90.68(18) . . ?
F2 P2 F6 92.22(18) . . ?
F4 P2 F6 177.05(19) . . ?
F2 P2 F3 90.56(15) . . ?
F4 P2 F3 91.95(14) . . ?
F6 P2 F3 88.54(12) . . ?
F2 P2 F5 89.40(14) . . ?
F4 P2 F5 89.57(16) . . ?
F6 P2 F5 89.94(14) . . ?
F3 P2 F5 178.48(15) . . ?
F2 P2 F1 178.76(15) . . ?
F4 P2 F1 88.77(18) . . ?
F6 P2 F1 88.32(18) . . ?
F3 P2 F1 90.57(16) . . ?
F5 P2 F1 89.48(15) . . ?

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
C3 C1 N1 C2 -1.4(4) . . . . ?
C3 C1 N1 C4 -170.4(3) . . . . ?
C1 N1 C2 N2 1.4(3) . . . . ?
C4 N1 C2 N2 171.8(2) . . . . ?
C1 N1 C2 Ru1 180.00(19) . . . . ?
C4 N1 C2 Ru1 -9.6(3) . . . . ?
C3 N2 C2 N1 -0.9(3) . . . . ?
C8 N2 C2 N1 -178.0(3) . . . . ?
C3 N2 C2 Ru1 -179.1(2) . . . . ?
C8 N2 C2 Ru1 3.8(4) . . . . ?
N1 C1 C3 N2 0.8(4) . . . . ?
C2 N2 C3 C1 0.1(4) . . . . ?
C8 N2 C3 C1 177.3(3) . . . . ?
C2 N1 C4 C5 27.5(3) . . . . ?
C1 N1 C4 C5 -164.1(3) . . . . ?
N1 C4 C5 C6 -108.9(3) . . . . ?
N1 C4 C5 C7 99.8(3) . . . . ?
N1 C4 C5 Ru1 -30.6(3) . . . . ?
C7 C5 C6 Ru1 -109.4(3) . . . . ?
C4 C5 C6 Ru1 101.7(2) . . . . ?
C2 N2 C8 C9 -99.9(3) . . . . ?
C3 N2 C8 C9 83.4(4) . . . . ?
N2 C8 C9 C10 -1.2(5) . . . . ?
N2 C8 C9 C11 177.2(3) . . . . ?
C17 C12 C13 C14 0.8(4) . . . . ?
P1 C12 C13 C14 -179.6(2) . . . . ?
C12 C13 C14 C15 0.4(4) . . . . ?
C13 C14 C15 C16 -1.0(5) . . . . ?
C14 C15 C16 C17 0.2(5) . . . . ?
C15 C16 C17 C12 1.0(5) . . . . ?
C13 C12 C17 C16 -1.5(4) . . . . ?
P1 C12 C17 C16 178.9(2) . . . . ?
C23 C18 C19 C20 -1.0(4) . . . . ?
P1 C18 C19 C20 176.0(2) . . . . ?
C18 C19 C20 C21 0.3(4) . . . . ?
C19 C20 C21 C22 0.3(4) . . . . ?
C20 C21 C22 C23 0.0(4) . . . . ?
C21 C22 C23 C18 -0.8(4) . . . . ?
C19 C18 C23 C22 1.3(4) . . . . ?
P1 C18 C23 C22 -175.7(2) . . . . ?
C29 C24 C25 C26 -1.9(4) . . . . ?
P1 C24 C25 C26 172.0(2) . . . . ?
C24 C25 C26 C27 0.8(5) . . . . ?
C25 C26 C27 C28 0.8(5) . . . . ?
C26 C27 C28 C29 -1.3(5) . . . . ?
C27 C28 C29 C24 0.2(4) . . . . ?
C25 C24 C29 C28 1.4(4) . . . . ?
P1 C24 C29 C28 -172.5(2) . . . . ?
C34 C30 C31 C32 -1.7(3) . . . . ?
Ru1 C30 C31 C32 -64.18(19) . . . . ?
C34 C30 C31 Ru1 62.5(2) . . . . ?
C30 C31 C32 C33 1.6(3) . . . . ?
Ru1 C31 C32 C33 -63.1(2) . . . . ?
C30 C31 C32 Ru1 64.77(19) . . . . ?
C31 C32 C33 C34 -0.9(3) . . . . ?
Ru1 C32 C33 C34 -62.9(2) . . . . ?
C31 C32 C33 Ru1 61.97(19) . . . . ?
C31 C30 C34 C33 1.1(3) . . . . ?
Ru1 C30 C34 C33 62.4(2) . . . . ?
C31 C30 C34 Ru1 -61.30(19) . . . . ?
C32 C33 C34 C30 -0.1(3) . . . . ?
Ru1 C33 C34 C30 -62.6(2) . . . . ?
C32 C33 C34 Ru1 62.50(19) . . . . ?
C25 C24 P1 C18 19.2(2) . . . . ?
C29 C24 P1 C18 -167.0(2) . . . . ?
C25 C24 P1 C12 123.3(2) . . . . ?
C29 C24 P1 C12 -62.9(2) . . . . ?
C25 C24 P1 Ru1 -107.9(2) . . . . ?
C29 C24 P1 Ru1 66.0(2) . . . . ?
C19 C18 P1 C24 -106.0(2) . . . . ?
C23 C18 P1 C24 71.0(2) . . . . ?
C19 C18 P1 C12 147.0(2) . . . . ?
C23 C18 P1 C12 -36.0(2) . . . . ?
C19 C18 P1 Ru1 20.8(2) . . . . ?
C23 C18 P1 Ru1 -162.28(17) . . . . ?
C17 C12 P1 C24 8.7(2) . . . . ?
C13 C12 P1 C24 -170.8(2) . . . . ?
C17 C12 P1 C18 114.5(2) . . . . ?
C13 C12 P1 C18 -65.1(2) . . . . ?
C17 C12 P1 Ru1 -119.6(2) . . . . ?
C13 C12 P1 Ru1 60.9(2) . . . . ?

_refine_diff_density_max         0.733
_refine_diff_density_min         -0.804
_refine_diff_density_rms         0.065

_shelxl_version_number           2013-3



####################################################################### 
# 
# 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_mo_FMR12_0m
_database_code_depnum_ccdc_archive 'CCDC 1901390'
loop_
_audit_author_name
_audit_author_address
'Frederick Malan'
;University of Pretoria
South Africa
;
_audit_update_record             
;
2019-03-06 deposited with the CCDC.	2019-05-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C150 H148 As4 Cl4 F24 N8 P4 Ru4'
_chemical_formula_weight         3488.40

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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+1/2, -z'

_cell_length_a                   9.910(2)
_cell_length_b                   24.910(5)
_cell_length_c                   15.236(3)
_cell_angle_alpha                90
_cell_angle_beta                 108.51(3)
_cell_angle_gamma                90
_cell_volume                     3566.6(14)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9429
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      26.32

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.624
_exptl_crystal_F_000             1756
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.346
_exptl_crystal_size_mid          0.215
_exptl_crystal_size_min          0.129
_exptl_absorpt_coefficient_mu    1.542
_shelx_estimated_absorpt_T_min   0.617
_shelx_estimated_absorpt_T_max   0.826
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6463
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1093 before and 0.0451 after correction.
The Ratio of minimum to maximum transmission is 0.8671.
The λ/2 correction factor is Not present.
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            133027
_diffrn_reflns_av_unetI/netI     0.0302
_diffrn_reflns_av_R_equivalents  0.0515
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.316
_diffrn_reflns_theta_max         26.436
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             14652
_reflns_number_gt                13667
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.953
_reflns_Friedel_fraction_max     0.997
_reflns_Friedel_fraction_full    1.000

_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0157P)²+9.7438P] 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 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.458(8)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         14652
_refine_ls_number_parameters     905
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0344
_refine_ls_R_factor_gt           0.0289
_refine_ls_wR_factor_ref         0.0613
_refine_ls_wR_factor_gt          0.0588
_refine_ls_goodness_of_fit_ref   0.866
_refine_ls_restrained_S_all      0.866
_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
Ru1 Ru 0.34764(4) 0.51502(2) 0.46705(3) 0.01868(9) Uani 1 1 d . . . . .
C1 C 0.3256(6) 0.3665(2) 0.3345(4) 0.0266(12) Uani 1 1 d . . . . .
H1 H 0.2985 0.3464 0.2786 0.032 Uiso 1 1 calc R U . . .
As1 As 0.59691(5) 0.52068(2) 0.47998(3) 0.01640(11) Uani 1 1 d . . . . .
N1 N 0.4099(5) 0.39076(17) 0.4804(3) 0.0211(9) Uani 1 1 d . . . . .
N2 N 0.3080(5) 0.42113(18) 0.3435(3) 0.0233(10) Uani 1 1 d . . . . .
C2 C 0.3611(5) 0.4367(2) 0.4330(3) 0.0191(11) Uani 1 1 d . . . . .
C19 C 0.3692(6) 0.5203(3) 0.6162(4) 0.0328(13) Uani 1 1 d . . . . .
H19 H 0.4485 0.5054 0.6626 0.039 Uiso 1 1 calc R U . . .
C15 C 0.3590(8) 0.5736(3) 0.5785(5) 0.0402(17) Uani 1 1 d . . . . .
H15 H 0.4304 0.6005 0.5962 0.048 Uiso 1 1 calc R U . . .
C16 C 0.2249(7) 0.5789(3) 0.5110(5) 0.0392(16) Uani 1 1 d . . . . .
H16 H 0.1895 0.6100 0.4751 0.047 Uiso 1 1 calc R U . . .
C3 C 0.3879(6) 0.3477(2) 0.4194(4) 0.0262(12) Uani 1 1 d . . . . .
H3 H 0.4130 0.3114 0.4355 0.031 Uiso 1 1 calc R U . . .
C17 C 0.1514(6) 0.5291(3) 0.5059(4) 0.0348(14) Uani 1 1 d . . . . .
H17 H 0.0589 0.5210 0.4654 0.042 Uiso 1 1 calc R U . . .
C4 C 0.2612(7) 0.4620(2) 0.2724(4) 0.0326(14) Uani 1 1 d . . . . .
H4A H 0.1755 0.4494 0.2230 0.039 Uiso 1 1 calc R U . . .
H4B H 0.3370 0.4692 0.2446 0.039 Uiso 1 1 calc R U . . .
C18 C 0.2401(6) 0.4945(2) 0.5714(4) 0.0277(12) Uani 1 1 d . . . . .
H18 H 0.2165 0.4590 0.5836 0.033 Uiso 1 1 calc R U . . .
C5 C 0.2269(6) 0.5132(3) 0.3162(3) 0.0277(11) Uani 1 1 d . . . . .
C7 C 0.0655(6) 0.5235(3) 0.2892(4) 0.0407(15) Uani 1 1 d . . . . .
H7A H 0.0244 0.5241 0.2216 0.061 Uiso 1 1 calc R U . . .
H7B H 0.0486 0.5581 0.3144 0.061 Uiso 1 1 calc R U . . .
H7C H 0.0208 0.4948 0.3143 0.061 Uiso 1 1 calc R U . . .
C8 C 0.4867(6) 0.3873(2) 0.5793(3) 0.0242(11) Uani 1 1 d . . . . .
H8A H 0.5282 0.4230 0.6008 0.029 Uiso 1 1 calc R U . . .
H8B H 0.5666 0.3618 0.5884 0.029 Uiso 1 1 calc R U . . .
C13 C 0.3622(7) 0.3722(3) 0.7877(4) 0.0412(16) Uani 1 1 d . . . . .
H13 H 0.3866 0.3862 0.8488 0.049 Uiso 1 1 calc R U . . .
C14 C 0.4375(7) 0.3885(3) 0.7300(4) 0.0340(13) Uani 1 1 d . . . . .
H14 H 0.5154 0.4125 0.7523 0.041 Uiso 1 1 calc R U . . .
C20 C 0.6781(6) 0.5922(2) 0.4895(3) 0.0190(11) Uani 1 1 d . . . . .
C21 C 0.5912(6) 0.6374(2) 0.4692(4) 0.0248(12) Uani 1 1 d . . . . .
H21 H 0.4907 0.6337 0.4516 0.030 Uiso 1 1 calc R U . . .
C22 C 0.6527(7) 0.6887(2) 0.4748(4) 0.0319(14) Uani 1 1 d . . . . .
H22 H 0.5936 0.7196 0.4604 0.038 Uiso 1 1 calc R U . . .
C23 C 0.7974(6) 0.6942(2) 0.5008(4) 0.0280(13) Uani 1 1 d . . . . .
H23 H 0.8382 0.7289 0.5040 0.034 Uiso 1 1 calc R U . . .
C24 C 0.8849(6) 0.6495(2) 0.5226(4) 0.0257(12) Uani 1 1 d . . . . .
H24 H 0.9853 0.6536 0.5415 0.031 Uiso 1 1 calc R U . . .
C25 C 0.8251(6) 0.5986(2) 0.5166(3) 0.0218(11) Uani 1 1 d . . . . .
H25 H 0.8851 0.5680 0.5312 0.026 Uiso 1 1 calc R U . . .
C26 C 0.6453(5) 0.4907(2) 0.3764(3) 0.0203(11) Uani 1 1 d . . . . .
C27 C 0.6266(6) 0.4356(2) 0.3584(4) 0.0248(11) Uani 1 1 d . . . . .
H27 H 0.6028 0.4127 0.4011 0.030 Uiso 1 1 calc R U . . .
C28 C 0.6428(6) 0.4145(2) 0.2776(4) 0.0318(13) Uani 1 1 d . . . . .
H28 H 0.6298 0.3771 0.2654 0.038 Uiso 1 1 calc R U . . .
C29 C 0.6774(6) 0.4471(3) 0.2159(4) 0.0332(14) Uani 1 1 d . . . . .
H29 H 0.6855 0.4326 0.1602 0.040 Uiso 1 1 calc R U . . .
C30 C 0.7009(6) 0.5016(2) 0.2345(4) 0.0292(13) Uani 1 1 d . . . . .
H30 H 0.7288 0.5239 0.1927 0.035 Uiso 1 1 calc R U . . .
C31 C 0.6835(5) 0.5234(2) 0.3142(3) 0.0229(11) Uani 1 1 d . . . . .
H31 H 0.6977 0.5607 0.3261 0.027 Uiso 1 1 calc R U . . .
C32 C 0.7373(6) 0.4867(2) 0.5861(4) 0.0219(11) Uani 1 1 d . . . . .
C33 C 0.7424(6) 0.5037(2) 0.6740(4) 0.0269(12) Uani 1 1 d . . . . .
H33 H 0.6803 0.5314 0.6805 0.032 Uiso 1 1 calc R U . . .
C34 C 0.8370(7) 0.4807(3) 0.7520(4) 0.0396(16) Uani 1 1 d . . . . .
H34 H 0.8398 0.4926 0.8118 0.048 Uiso 1 1 calc R U . . .
C35 C 0.9278(8) 0.4404(3) 0.7430(5) 0.0454(18) Uani 1 1 d . . . . .
H35 H 0.9915 0.4239 0.7965 0.054 Uiso 1 1 calc R U . . .
C36 C 0.9251(8) 0.4243(3) 0.6559(5) 0.0458(17) Uani 1 1 d . . . . .
H36 H 0.9892 0.3973 0.6496 0.055 Uiso 1 1 calc R U . . .
C37 C 0.8300(6) 0.4469(2) 0.5774(4) 0.0338(14) Uani 1 1 d . . . . .
H37 H 0.8283 0.4352 0.5178 0.041 Uiso 1 1 calc R U . . .
Ru2 Ru 0.36701(4) 0.61389(2) -0.05611(3) 0.01688(8) Uani 1 1 d . . . . .
As2 As 0.62510(5) 0.61058(2) -0.01483(3) 0.01568(10) Uani 1 1 d . . . . .
N3 N 0.3606(5) 0.70148(17) -0.1876(3) 0.0234(10) Uani 1 1 d . . . . .
N4 N 0.4123(5) 0.73960(18) -0.0559(3) 0.0227(10) Uani 1 1 d . . . . .
C38 C 0.3270(6) 0.6218(3) 0.0788(4) 0.0307(14) Uani 1 1 d . . . . .
H38 H 0.3838 0.6444 0.1264 0.037 Uiso 1 1 calc R U . . .
C39 C 0.2008(6) 0.6362(3) 0.0073(5) 0.0359(14) Uani 1 1 d . . . . .
H39 H 0.1573 0.6707 -0.0006 0.043 Uiso 1 1 calc R U . . .
C40 C 0.1510(6) 0.5920(3) -0.0493(4) 0.0349(15) Uani 1 1 d . . . . .
H40 H 0.0686 0.5912 -0.1024 0.042 Uiso 1 1 calc R U . . .
C41 C 0.2439(6) 0.5486(2) -0.0144(4) 0.0325(14) Uani 1 1 d . . . . .
H41 H 0.2352 0.5135 -0.0401 0.039 Uiso 1 1 calc R U . . .
C42 C 0.3516(6) 0.5662(3) 0.0650(4) 0.0301(13) Uani 1 1 d . . . . .
H42 H 0.4274 0.5450 0.1030 0.036 Uiso 1 1 calc R U . . .
C43 C 0.3849(5) 0.6910(2) -0.0973(4) 0.0191(11) Uani 1 1 d . . . . .
C44 C 0.3744(6) 0.7555(2) -0.2033(4) 0.0296(13) Uani 1 1 d . . . . .
H44 H 0.3640 0.7724 -0.2610 0.035 Uiso 1 1 calc R U . . .
C45 C 0.4055(6) 0.7792(2) -0.1204(4) 0.0279(12) Uani 1 1 d . . . . .
H45 H 0.4202 0.8166 -0.1082 0.033 Uiso 1 1 calc R U . . .
C46 C 0.3467(7) 0.6566(2) -0.2505(4) 0.0284(13) Uani 1 1 d . . . . .
H46A H 0.4403 0.6479 -0.2574 0.034 Uiso 1 1 calc R U . . .
H46B H 0.2799 0.6658 -0.3122 0.034 Uiso 1 1 calc R U . . .
C47 C 0.2909(5) 0.6087(2) -0.2104(3) 0.0229(10) Uani 1 1 d . . . . .
C48 C 0.1343(6) 0.5984(3) -0.2569(4) 0.0392(15) Uani 1 1 d . . . . .
H48A H 0.1160 0.5931 -0.3234 0.059 Uiso 1 1 calc R U . . .
H48B H 0.0794 0.6293 -0.2472 0.059 Uiso 1 1 calc R U . . .
H48C H 0.1058 0.5662 -0.2303 0.059 Uiso 1 1 calc R U . . .
C49 C 0.3833(6) 0.5657(2) -0.1740(3) 0.0235(12) Uani 1 1 d . . . . .
H49A H 0.4763 0.5664 -0.1852 0.028 Uiso 1 1 calc R U . . .
H49B H 0.3396 0.5295 -0.1813 0.028 Uiso 1 1 calc R U . . .
C50 C 0.4584(6) 0.7496(2) 0.0437(4) 0.0274(12) Uani 1 1 d . . . . .
H50A H 0.5319 0.7780 0.0583 0.033 Uiso 1 1 calc R U . . .
H50B H 0.5031 0.7165 0.0762 0.033 Uiso 1 1 calc R U . . .
C51 C 0.3402(7) 0.7663(2) 0.0805(4) 0.0317(14) Uani 1 1 d . . . . .
C52 C 0.2050(8) 0.7796(3) 0.0247(5) 0.0471(18) Uani 1 1 d . . . . .
H52 H 0.1831 0.7782 -0.0407 0.057 Uiso 1 1 calc R U . . .
C53 C 0.1015(10) 0.7948(3) 0.0621(8) 0.073(3) Uani 1 1 d . . . . .
H53 H 0.0086 0.8029 0.0223 0.087 Uiso 1 1 calc R U . . .
C54 C 0.1301(14) 0.7984(4) 0.1547(9) 0.088(4) Uani 1 1 d . . . . .
H54 H 0.0580 0.8093 0.1797 0.105 Uiso 1 1 calc R U . . .
C55 C 0.2645(14) 0.7861(4) 0.2127(7) 0.087(4) Uani 1 1 d . . . . .
H55 H 0.2856 0.7886 0.2779 0.104 Uiso 1 1 calc R U . . .
C56 C 0.3699(9) 0.7697(3) 0.1750(5) 0.057(2) Uani 1 1 d . . . . .
H56 H 0.4623 0.7609 0.2149 0.069 Uiso 1 1 calc R U . . .
C57 C 0.7016(5) 0.6466(2) -0.1030(3) 0.0203(11) Uani 1 1 d . . . . .
C58 C 0.7134(6) 0.7020(2) -0.0998(4) 0.0304(13) Uani 1 1 d . . . . .
H58 H 0.6922 0.7217 -0.0523 0.036 Uiso 1 1 calc R U . . .
C59 C 0.7566(8) 0.7289(3) -0.1669(5) 0.0423(16) Uani 1 1 d . . . . .
H59 H 0.7659 0.7669 -0.1648 0.051 Uiso 1 1 calc R U . . .
C60 C 0.7858(8) 0.7000(3) -0.2362(5) 0.0459(18) Uani 1 1 d . . . . .
H60 H 0.8156 0.7183 -0.2816 0.055 Uiso 1 1 calc R U . . .
C61 C 0.7720(7) 0.6452(3) -0.2400(4) 0.0348(14) Uani 1 1 d . . . . .
H61 H 0.7894 0.6258 -0.2890 0.042 Uiso 1 1 calc R U . . .
C62 C 0.7327(5) 0.6181(2) -0.1722(3) 0.0241(11) Uani 1 1 d . . . . .
H62 H 0.7272 0.5801 -0.1734 0.029 Uiso 1 1 calc R U . . .
C63 C 0.7452(5) 0.6411(2) 0.1018(3) 0.0207(11) Uani 1 1 d . . . . .
C64 C 0.6978(6) 0.6395(2) 0.1778(4) 0.0267(12) Uani 1 1 d . . . . .
H64 H 0.6068 0.6247 0.1716 0.032 Uiso 1 1 calc R U . . .
C65 C 0.7813(7) 0.6590(3) 0.2632(4) 0.0387(15) Uani 1 1 d . . . . .
H65 H 0.7460 0.6588 0.3144 0.046 Uiso 1 1 calc R U . . .
C66 C 0.9153(8) 0.6789(3) 0.2734(5) 0.0441(17) Uani 1 1 d . . . . .
H66 H 0.9738 0.6914 0.3320 0.053 Uiso 1 1 calc R U . . .
C67 C 0.9642(8) 0.6804(3) 0.1981(5) 0.0455(18) Uani 1 1 d . . . . .
H67 H 1.0564 0.6941 0.2051 0.055 Uiso 1 1 calc R U . . .
C68 C 0.8794(6) 0.6620(2) 0.1122(4) 0.0336(14) Uani 1 1 d . . . . .
H68 H 0.9132 0.6637 0.0605 0.040 Uiso 1 1 calc R U . . .
C69 C 0.7121(5) 0.5396(2) -0.0083(3) 0.0176(10) Uani 1 1 d . . . . .
C70 C 0.6286(6) 0.4934(2) -0.0259(4) 0.0223(11) Uani 1 1 d . . . . .
H70 H 0.5285 0.4959 -0.0391 0.027 Uiso 1 1 calc R U . . .
C71 C 0.6929(6) 0.4437(2) -0.0242(4) 0.0265(12) Uani 1 1 d . . . . .
H71 H 0.6361 0.4122 -0.0378 0.032 Uiso 1 1 calc R U . . .
C72 C 0.8384(6) 0.4398(2) -0.0030(4) 0.0281(13) Uani 1 1 d . . . . .
H72 H 0.8813 0.4056 -0.0016 0.034 Uiso 1 1 calc R U . . .
C73 C 0.9224(6) 0.4854(2) 0.0162(4) 0.0280(13) Uani 1 1 d . . . . .
H73 H 1.0227 0.4826 0.0311 0.034 Uiso 1 1 calc R U . . .
C74 C 0.8593(6) 0.5352(2) 0.0137(4) 0.0225(11) Uani 1 1 d . . . . .
H74 H 0.9167 0.5666 0.0270 0.027 Uiso 1 1 calc R U . . .
P1 P 0.74144(17) 0.25218(7) 0.50068(12) 0.0345(4) Uani 1 1 d . . . . .
F1 F 0.7186(5) 0.30442(19) 0.4385(3) 0.0668(13) Uani 1 1 d . . . . .
F2 F 0.6107(5) 0.2248(2) 0.4249(3) 0.0664(13) Uani 1 1 d . . . . .
F3 F 0.6336(5) 0.27402(17) 0.5500(3) 0.0545(11) Uani 1 1 d . . . . .
F4 F 0.8455(5) 0.2286(2) 0.4501(5) 0.092(2) Uani 1 1 d . . . . .
F5 F 0.8691(5) 0.2787(2) 0.5772(4) 0.0805(16) Uani 1 1 d . . . . .
F6 F 0.7614(6) 0.19925(17) 0.5627(4) 0.0799(16) Uani 1 1 d . . . . .
C6 C 0.3212(6) 0.5557(2) 0.3339(4) 0.0279(13) Uani 1 1 d . . . . .
H6A H 0.2788 0.5921 0.3267 0.033 Uiso 1 1 calc R U . . .
H6B H 0.4016 0.5526 0.3088 0.033 Uiso 1 1 calc R U . . .
P2 P 0.27985(16) 0.38257(6) 0.03987(10) 0.0260(3) Uani 1 1 d . . . . .
F7 F 0.1391(4) 0.37813(19) 0.0674(3) 0.0561(11) Uani 1 1 d . . . . .
F8 F 0.3081(5) 0.44102(15) 0.0840(3) 0.0531(11) Uani 1 1 d . . . . .
F9 F 0.1925(5) 0.40784(17) -0.0575(2) 0.0553(12) Uani 1 1 d . . . . .
C9 C 0.3995(6) 0.3698(2) 0.6395(4) 0.0239(11) Uani 1 1 d . . . . .
F10 F 0.4240(4) 0.38671(16) 0.0143(2) 0.0429(9) Uani 1 1 d . . . . .
C10 C 0.2880(6) 0.3336(2) 0.6090(4) 0.0309(13) Uani 1 1 d . . . . .
H10 H 0.2615 0.3202 0.5475 0.037 Uiso 1 1 calc R U . . .
F11 F 0.2551(4) 0.32412(14) -0.0047(3) 0.0422(9) Uani 1 1 d . . . . .
C11 C 0.2147(7) 0.3170(3) 0.6687(5) 0.0387(15) Uani 1 1 d . . . . .
H11 H 0.1382 0.2923 0.6476 0.046 Uiso 1 1 calc R U . . .
F12 F 0.3671(4) 0.35741(14) 0.1375(2) 0.0369(8) Uani 1 1 d . . . . .
C12 C 0.2521(7) 0.3360(3) 0.7575(4) 0.0403(16) Uani 1 1 d . . . . .
H12 H 0.2024 0.3242 0.7980 0.048 Uiso 1 1 calc R U . . .
Cl1 Cl 1.01685(19) 0.38913(9) 0.40895(13) 0.0554(5) Uani 1 1 d . . . . .
Cl2 Cl 0.9608(3) 0.35022(14) 0.22130(18) 0.0749(10) Uani 0.831(5) 1 d . . P A 1
C75 C 0.9574(11) 0.3346(4) 0.3318(8) 0.085(3) Uani 0.831(5) 1 d . . P A 1
H75A H 1.0189 0.3031 0.3554 0.102 Uiso 0.831(5) 1 calc R U P A 1
H75B H 0.8591 0.3250 0.3288 0.102 Uiso 0.831(5) 1 calc R U P A 1
Cl2A Cl 1.0045(9) 0.2794(3) 0.3334(7) 0.033(3) Uani 0.169(5) 1 d . . P A 2
C75A C 0.9574(11) 0.3346(4) 0.3318(8) 0.085(3) Uani 0.169(5) 1 d . . P A 2
H75C H 0.8550 0.3316 0.3250 0.102 Uiso 0.169(5) 1 calc R U P A 2
H75D H 0.9610 0.3486 0.2717 0.102 Uiso 0.169(5) 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
Ru1 C2 2.035(5) . ?
Ru1 C6 2.208(5) . ?
Ru1 C15 2.215(6) . ?
Ru1 C19 2.218(5) . ?
Ru1 C5 2.229(5) . ?
Ru1 C16 2.230(6) . ?
Ru1 C17 2.234(5) . ?
Ru1 C18 2.235(5) . ?
Ru1 As1 2.4190(8) . ?
C1 C3 1.329(8) . ?
C1 N2 1.385(7) . ?
C1 H1 0.9500 . ?
As1 C26 1.938(5) . ?
As1 C20 1.943(5) . ?
As1 C32 1.959(5) . ?
N1 C2 1.357(7) . ?
N1 C3 1.390(7) . ?
N1 C8 1.458(7) . ?
N2 C2 1.353(6) . ?
N2 C4 1.451(7) . ?
C19 C18 1.400(8) . ?
C19 C15 1.437(10) . ?
C19 H19 0.9500 . ?
C15 C16 1.405(10) . ?
C15 H15 0.9500 . ?
C16 C17 1.428(9) . ?
C16 H16 0.9500 . ?
C3 H3 0.9500 . ?
C17 C18 1.397(8) . ?
C17 H17 0.9500 . ?
C4 C5 1.527(9) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C18 H18 0.9500 . ?
C5 C6 1.381(8) . ?
C5 C7 1.542(7) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C9 1.511(7) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C13 C12 1.378(10) . ?
C13 C14 1.382(8) . ?
C13 H13 0.9500 . ?
C14 C9 1.389(8) . ?
C14 H14 0.9500 . ?
C20 C25 1.391(7) . ?
C20 C21 1.392(7) . ?
C21 C22 1.405(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.368(9) . ?
C22 H22 0.9500 . ?
C23 C24 1.385(8) . ?
C23 H23 0.9500 . ?
C24 C25 1.389(8) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C31 1.389(7) . ?
C26 C27 1.400(8) . ?
C27 C28 1.395(8) . ?
C27 H27 0.9500 . ?
C28 C29 1.367(9) . ?
C28 H28 0.9500 . ?
C29 C30 1.389(8) . ?
C29 H29 0.9500 . ?
C30 C31 1.390(7) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C37 1.385(8) . ?
C32 C33 1.391(7) . ?
C33 C34 1.383(8) . ?
C33 H33 0.9500 . ?
C34 C35 1.384(10) . ?
C34 H34 0.9500 . ?
C35 C36 1.379(10) . ?
C35 H35 0.9500 . ?
C36 C37 1.386(8) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
Ru2 C43 2.047(5) . ?
Ru2 C49 2.208(5) . ?
Ru2 C38 2.223(5) . ?
Ru2 C39 2.229(6) . ?
Ru2 C47 2.234(5) . ?
Ru2 C42 2.241(6) . ?
Ru2 C40 2.243(5) . ?
Ru2 C41 2.244(5) . ?
Ru2 As2 2.4337(8) . ?
As2 C63 1.951(5) . ?
As2 C69 1.956(5) . ?
As2 C57 1.957(5) . ?
N3 C43 1.345(7) . ?
N3 C44 1.381(7) . ?
N3 C46 1.449(7) . ?
N4 C43 1.351(7) . ?
N4 C45 1.380(7) . ?
N4 C50 1.460(7) . ?
C38 C39 1.420(9) . ?
C38 C42 1.433(9) . ?
C38 H38 0.9500 . ?
C39 C40 1.389(9) . ?
C39 H39 0.9500 . ?
C40 C41 1.411(9) . ?
C40 H40 0.9500 . ?
C41 C42 1.406(9) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C44 C45 1.339(8) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C46 C47 1.521(8) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C49 1.404(8) . ?
C47 C48 1.510(7) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.509(8) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 C56 1.378(9) . ?
C51 C52 1.380(10) . ?
C52 C53 1.376(10) . ?
C52 H52 0.9500 . ?
C53 C54 1.350(15) . ?
C53 H53 0.9500 . ?
C54 C55 1.379(16) . ?
C54 H54 0.9500 . ?
C55 C56 1.403(13) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 C62 1.384(7) . ?
C57 C58 1.386(8) . ?
C58 C59 1.399(8) . ?
C58 H58 0.9500 . ?
C59 C60 1.382(9) . ?
C59 H59 0.9500 . ?
C60 C61 1.371(9) . ?
C60 H60 0.9500 . ?
C61 C62 1.389(8) . ?
C61 H61 0.9500 . ?
C62 H62 0.9500 . ?
C63 C64 1.381(8) . ?
C63 C68 1.390(8) . ?
C64 C65 1.390(8) . ?
C64 H64 0.9500 . ?
C65 C66 1.379(10) . ?
C65 H65 0.9500 . ?
C66 C67 1.380(10) . ?
C66 H66 0.9500 . ?
C67 C68 1.390(9) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C69 C70 1.392(7) . ?
C69 C74 1.393(7) . ?
C70 C71 1.388(8) . ?
C70 H70 0.9500 . ?
C71 C72 1.377(8) . ?
C71 H71 0.9500 . ?
C72 C73 1.384(9) . ?
C72 H72 0.9500 . ?
C73 C74 1.384(8) . ?
C73 H73 0.9500 . ?
C74 H74 0.9500 . ?
P1 F5 1.569(5) . ?
P1 F1 1.583(5) . ?
P1 F4 1.583(5) . ?
P1 F3 1.586(4) . ?
P1 F2 1.590(4) . ?
P1 F6 1.597(5) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
P2 F7 1.583(4) . ?
P2 F8 1.591(4) . ?
P2 F9 1.591(4) . ?
P2 F11 1.593(4) . ?
P2 F12 1.593(3) . ?
P2 F10 1.599(4) . ?
C9 C10 1.387(8) . ?
C10 C11 1.395(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.368(9) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
Cl1 C75 1.770(10) . ?
Cl2 C75 1.738(11) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?

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
C2 Ru1 C6 101.8(2) . . ?
C2 Ru1 C15 146.7(2) . . ?
C6 Ru1 C15 111.4(2) . . ?
C2 Ru1 C19 109.0(2) . . ?
C6 Ru1 C19 149.2(2) . . ?
C15 Ru1 C19 37.8(3) . . ?
C2 Ru1 C5 77.0(2) . . ?
C6 Ru1 C5 36.3(2) . . ?
C15 Ru1 C5 133.2(3) . . ?
C19 Ru1 C5 154.6(2) . . ?
C2 Ru1 C16 147.8(2) . . ?
C6 Ru1 C16 91.8(2) . . ?
C15 Ru1 C16 36.8(3) . . ?
C19 Ru1 C16 62.2(2) . . ?
C5 Ru1 C16 99.1(2) . . ?
C2 Ru1 C17 110.6(2) . . ?
C6 Ru1 C17 108.2(2) . . ?
C15 Ru1 C17 61.9(2) . . ?
C19 Ru1 C17 61.8(2) . . ?
C5 Ru1 C17 92.8(2) . . ?
C16 Ru1 C17 37.3(2) . . ?
C2 Ru1 C18 92.68(19) . . ?
C6 Ru1 C18 144.5(2) . . ?
C15 Ru1 C18 61.6(2) . . ?
C19 Ru1 C18 36.6(2) . . ?
C5 Ru1 C18 120.5(2) . . ?
C16 Ru1 C18 61.4(2) . . ?
C17 Ru1 C18 36.4(2) . . ?
C2 Ru1 As1 85.92(14) . . ?
C6 Ru1 As1 82.44(15) . . ?
C15 Ru1 As1 95.58(19) . . ?
C19 Ru1 As1 98.59(15) . . ?
C5 Ru1 As1 106.57(14) . . ?
C16 Ru1 As1 125.04(19) . . ?
C17 Ru1 As1 157.22(17) . . ?
C18 Ru1 As1 131.32(16) . . ?
C3 C1 N2 106.4(5) . . ?
C3 C1 H1 126.8 . . ?
N2 C1 H1 126.8 . . ?
C26 As1 C20 102.2(2) . . ?
C26 As1 C32 102.2(2) . . ?
C20 As1 C32 99.6(2) . . ?
C26 As1 Ru1 114.92(16) . . ?
C20 As1 Ru1 116.59(16) . . ?
C32 As1 Ru1 118.79(16) . . ?
C2 N1 C3 109.9(4) . . ?
C2 N1 C8 125.5(4) . . ?
C3 N1 C8 124.4(5) . . ?
C2 N2 C1 111.1(5) . . ?
C2 N2 C4 118.8(5) . . ?
C1 N2 C4 129.5(5) . . ?
N2 C2 N1 104.7(4) . . ?
N2 C2 Ru1 119.7(4) . . ?
N1 C2 Ru1 135.5(4) . . ?
C18 C19 C15 106.9(6) . . ?
C18 C19 Ru1 72.4(3) . . ?
C15 C19 Ru1 71.0(3) . . ?
C18 C19 H19 126.5 . . ?
C15 C19 H19 126.5 . . ?
Ru1 C19 H19 121.9 . . ?
C16 C15 C19 108.0(6) . . ?
C16 C15 Ru1 72.2(4) . . ?
C19 C15 Ru1 71.2(3) . . ?
C16 C15 H15 126.0 . . ?
C19 C15 H15 126.0 . . ?
Ru1 C15 H15 122.3 . . ?
C15 C16 C17 107.9(6) . . ?
C15 C16 Ru1 71.0(3) . . ?
C17 C16 Ru1 71.5(3) . . ?
C15 C16 H16 126.1 . . ?
C17 C16 H16 126.1 . . ?
Ru1 C16 H16 123.1 . . ?
C1 C3 N1 107.8(5) . . ?
C1 C3 H3 126.1 . . ?
N1 C3 H3 126.1 . . ?
C18 C17 C16 107.5(6) . . ?
C18 C17 Ru1 71.8(3) . . ?
C16 C17 Ru1 71.2(3) . . ?
C18 C17 H17 126.2 . . ?
C16 C17 H17 126.2 . . ?
Ru1 C17 H17 122.4 . . ?
N2 C4 C5 108.8(4) . . ?
N2 C4 H4A 109.9 . . ?
C5 C4 H4A 109.9 . . ?
N2 C4 H4B 109.9 . . ?
C5 C4 H4B 109.9 . . ?
H4A C4 H4B 108.3 . . ?
C17 C18 C19 109.6(5) . . ?
C17 C18 Ru1 71.7(3) . . ?
C19 C18 Ru1 71.0(3) . . ?
C17 C18 H18 125.2 . . ?
C19 C18 H18 125.2 . . ?
Ru1 C18 H18 123.7 . . ?
C6 C5 C4 119.7(5) . . ?
C6 C5 C7 120.3(6) . . ?
C4 C5 C7 112.2(5) . . ?
C6 C5 Ru1 71.1(3) . . ?
C4 C5 Ru1 110.3(4) . . ?
C7 C5 Ru1 116.4(4) . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 C9 115.7(5) . . ?
N1 C8 H8A 108.4 . . ?
C9 C8 H8A 108.4 . . ?
N1 C8 H8B 108.4 . . ?
C9 C8 H8B 108.4 . . ?
H8A C8 H8B 107.4 . . ?
C12 C13 C14 120.6(6) . . ?
C12 C13 H13 119.7 . . ?
C14 C13 H13 119.7 . . ?
C13 C14 C9 120.1(6) . . ?
C13 C14 H14 119.9 . . ?
C9 C14 H14 120.0 . . ?
C25 C20 C21 119.3(5) . . ?
C25 C20 As1 119.8(4) . . ?
C21 C20 As1 120.9(4) . . ?
C20 C21 C22 119.7(5) . . ?
C20 C21 H21 120.2 . . ?
C22 C21 H21 120.2 . . ?
C23 C22 C21 120.3(6) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 120.5(5) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C25 119.7(5) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C24 C25 C20 120.6(5) . . ?
C24 C25 H25 119.7 . . ?
C20 C25 H25 119.7 . . ?
C31 C26 C27 119.2(5) . . ?
C31 C26 As1 121.5(4) . . ?
C27 C26 As1 119.0(4) . . ?
C28 C27 C26 119.9(5) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C29 C28 C27 120.4(5) . . ?
C29 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C28 C29 C30 120.2(5) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C29 C30 C31 120.0(5) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C26 C31 C30 120.3(5) . . ?
C26 C31 H31 119.9 . . ?
C30 C31 H31 119.9 . . ?
C37 C32 C33 119.2(5) . . ?
C37 C32 As1 123.3(4) . . ?
C33 C32 As1 117.5(4) . . ?
C34 C33 C32 120.6(5) . . ?
C34 C33 H33 119.7 . . ?
C32 C33 H33 119.7 . . ?
C33 C34 C35 120.0(6) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C36 C35 C34 119.4(6) . . ?
C36 C35 H35 120.3 . . ?
C34 C35 H35 120.3 . . ?
C35 C36 C37 120.8(6) . . ?
C35 C36 H36 119.6 . . ?
C37 C36 H36 119.6 . . ?
C32 C37 C36 119.9(6) . . ?
C32 C37 H37 120.0 . . ?
C36 C37 H37 120.0 . . ?
C43 Ru2 C49 103.0(2) . . ?
C43 Ru2 C38 105.0(2) . . ?
C49 Ru2 C38 151.7(2) . . ?
C43 Ru2 C39 92.7(2) . . ?
C49 Ru2 C39 138.0(2) . . ?
C38 Ru2 C39 37.2(2) . . ?
C43 Ru2 C47 76.4(2) . . ?
C49 Ru2 C47 36.8(2) . . ?
C38 Ru2 C47 151.5(2) . . ?
C39 Ru2 C47 115.0(2) . . ?
C43 Ru2 C42 141.8(2) . . ?
C49 Ru2 C42 115.0(2) . . ?
C38 Ru2 C42 37.4(2) . . ?
C39 Ru2 C42 61.5(2) . . ?
C47 Ru2 C42 138.4(2) . . ?
C43 Ru2 C40 114.8(2) . . ?
C49 Ru2 C40 102.9(2) . . ?
C38 Ru2 C40 61.7(2) . . ?
C39 Ru2 C40 36.2(2) . . ?
C47 Ru2 C40 91.5(2) . . ?
C42 Ru2 C40 61.1(2) . . ?
C43 Ru2 C41 151.1(2) . . ?
C49 Ru2 C41 91.3(2) . . ?
C38 Ru2 C41 61.9(2) . . ?
C39 Ru2 C41 61.0(2) . . ?
C47 Ru2 C41 103.0(2) . . ?
C42 Ru2 C41 36.5(2) . . ?
C40 Ru2 C41 36.7(2) . . ?
C43 Ru2 As2 85.69(14) . . ?
C49 Ru2 As2 81.36(15) . . ?
C38 Ru2 As2 104.22(15) . . ?
C39 Ru2 As2 139.22(18) . . ?
C47 Ru2 As2 104.23(13) . . ?
C42 Ru2 As2 96.33(16) . . ?
C40 Ru2 As2 156.91(16) . . ?
C41 Ru2 As2 121.58(16) . . ?
C63 As2 C69 100.0(2) . . ?
C63 As2 C57 100.9(2) . . ?
C69 As2 C57 100.9(2) . . ?
C63 As2 Ru2 120.61(16) . . ?
C69 As2 Ru2 116.99(15) . . ?
C57 As2 Ru2 114.29(15) . . ?
C43 N3 C44 111.7(5) . . ?
C43 N3 C46 118.4(4) . . ?
C44 N3 C46 129.1(5) . . ?
C43 N4 C45 110.6(4) . . ?
C43 N4 C50 126.0(5) . . ?
C45 N4 C50 123.2(5) . . ?
C39 C38 C42 106.4(5) . . ?
C39 C38 Ru2 71.6(3) . . ?
C42 C38 Ru2 72.0(3) . . ?
C39 C38 H38 126.8 . . ?
C42 C38 H38 126.8 . . ?
Ru2 C38 H38 121.4 . . ?
C40 C39 C38 109.1(6) . . ?
C40 C39 Ru2 72.4(3) . . ?
C38 C39 Ru2 71.2(3) . . ?
C40 C39 H39 125.4 . . ?
C38 C39 H39 125.4 . . ?
Ru2 C39 H39 122.6 . . ?
C39 C40 C41 108.3(5) . . ?
C39 C40 Ru2 71.4(3) . . ?
C41 C40 Ru2 71.7(3) . . ?
C39 C40 H40 125.9 . . ?
C41 C40 H40 125.9 . . ?
Ru2 C40 H40 122.7 . . ?
C42 C41 C40 108.1(6) . . ?
C42 C41 Ru2 71.6(3) . . ?
C40 C41 Ru2 71.6(3) . . ?
C42 C41 H41 125.9 . . ?
C40 C41 H41 125.9 . . ?
Ru2 C41 H41 122.5 . . ?
C41 C42 C38 108.1(5) . . ?
C41 C42 Ru2 71.8(3) . . ?
C38 C42 Ru2 70.6(3) . . ?
C41 C42 H42 126.0 . . ?
C38 C42 H42 126.0 . . ?
Ru2 C42 H42 123.2 . . ?
N3 C43 N4 104.4(4) . . ?
N3 C43 Ru2 119.4(4) . . ?
N4 C43 Ru2 136.2(4) . . ?
C45 C44 N3 105.8(5) . . ?
C45 C44 H44 127.1 . . ?
N3 C44 H44 127.1 . . ?
C44 C45 N4 107.5(5) . . ?
C44 C45 H45 126.3 . . ?
N4 C45 H45 126.3 . . ?
N3 C46 C47 108.1(4) . . ?
N3 C46 H46A 110.1 . . ?
C47 C46 H46A 110.1 . . ?
N3 C46 H46B 110.1 . . ?
C47 C46 H46B 110.1 . . ?
H46A C46 H46B 108.4 . . ?
C49 C47 C48 120.0(5) . . ?
C49 C47 C46 118.9(5) . . ?
C48 C47 C46 113.3(5) . . ?
C49 C47 Ru2 70.6(3) . . ?
C48 C47 Ru2 117.2(4) . . ?
C46 C47 Ru2 109.4(3) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 Ru2 72.6(3) . . ?
C47 C49 H49A 116.3 . . ?
Ru2 C49 H49A 116.3 . . ?
C47 C49 H49B 116.3 . . ?
Ru2 C49 H49B 116.3 . . ?
H49A C49 H49B 113.3 . . ?
N4 C50 C51 114.1(5) . . ?
N4 C50 H50A 108.7 . . ?
C51 C50 H50A 108.7 . . ?
N4 C50 H50B 108.7 . . ?
C51 C50 H50B 108.7 . . ?
H50A C50 H50B 107.6 . . ?
C56 C51 C52 118.2(7) . . ?
C56 C51 C50 118.1(7) . . ?
C52 C51 C50 123.6(6) . . ?
C53 C52 C51 121.1(8) . . ?
C53 C52 H52 119.5 . . ?
C51 C52 H52 119.5 . . ?
C54 C53 C52 120.9(10) . . ?
C54 C53 H53 119.5 . . ?
C52 C53 H53 119.5 . . ?
C53 C54 C55 119.7(8) . . ?
C53 C54 H54 120.2 . . ?
C55 C54 H54 120.2 . . ?
C54 C55 C56 119.7(9) . . ?
C54 C55 H55 120.2 . . ?
C56 C55 H55 120.2 . . ?
C51 C56 C55 120.4(9) . . ?
C51 C56 H56 119.8 . . ?
C55 C56 H56 119.8 . . ?
C62 C57 C58 120.0(5) . . ?
C62 C57 As2 121.2(4) . . ?
C58 C57 As2 118.6(4) . . ?
C57 C58 C59 119.5(5) . . ?
C57 C58 H58 120.2 . . ?
C59 C58 H58 120.2 . . ?
C60 C59 C58 119.8(6) . . ?
C60 C59 H59 120.1 . . ?
C58 C59 H59 120.1 . . ?
C61 C60 C59 120.6(6) . . ?
C61 C60 H60 119.7 . . ?
C59 C60 H60 119.7 . . ?
C60 C61 C62 120.0(6) . . ?
C60 C61 H61 120.0 . . ?
C62 C61 H61 120.0 . . ?
C57 C62 C61 120.1(6) . . ?
C57 C62 H62 120.0 . . ?
C61 C62 H62 120.0 . . ?
C64 C63 C68 118.8(5) . . ?
C64 C63 As2 118.8(4) . . ?
C68 C63 As2 122.3(4) . . ?
C63 C64 C65 121.0(6) . . ?
C63 C64 H64 119.5 . . ?
C65 C64 H64 119.5 . . ?
C66 C65 C64 119.8(6) . . ?
C66 C65 H65 120.1 . . ?
C64 C65 H65 120.1 . . ?
C65 C66 C67 119.7(6) . . ?
C65 C66 H66 120.1 . . ?
C67 C66 H66 120.1 . . ?
C66 C67 C68 120.5(7) . . ?
C66 C67 H67 119.8 . . ?
C68 C67 H67 119.8 . . ?
C63 C68 C67 120.1(6) . . ?
C63 C68 H68 119.9 . . ?
C67 C68 H68 119.9 . . ?
C70 C69 C74 119.6(5) . . ?
C70 C69 As2 120.8(4) . . ?
C74 C69 As2 119.6(4) . . ?
C71 C70 C69 119.5(5) . . ?
C71 C70 H70 120.3 . . ?
C69 C70 H70 120.3 . . ?
C72 C71 C70 120.5(6) . . ?
C72 C71 H71 119.7 . . ?
C70 C71 H71 119.7 . . ?
C71 C72 C73 120.4(6) . . ?
C71 C72 H72 119.8 . . ?
C73 C72 H72 119.8 . . ?
C72 C73 C74 119.6(5) . . ?
C72 C73 H73 120.2 . . ?
C74 C73 H73 120.2 . . ?
C73 C74 C69 120.4(5) . . ?
C73 C74 H74 119.8 . . ?
C69 C74 H74 119.8 . . ?
F5 P1 F1 91.5(3) . . ?
F5 P1 F4 91.2(3) . . ?
F1 P1 F4 90.3(3) . . ?
F5 P1 F3 90.5(3) . . ?
F1 P1 F3 90.7(2) . . ?
F4 P1 F3 178.0(3) . . ?
F5 P1 F2 178.7(3) . . ?
F1 P1 F2 89.4(3) . . ?
F4 P1 F2 89.6(3) . . ?
F3 P1 F2 88.6(3) . . ?
F5 P1 F6 89.3(3) . . ?
F1 P1 F6 178.9(3) . . ?
F4 P1 F6 90.2(3) . . ?
F3 P1 F6 88.7(3) . . ?
F2 P1 F6 89.7(3) . . ?
C5 C6 Ru1 72.7(3) . . ?
C5 C6 H6A 116.3 . . ?
Ru1 C6 H6A 116.3 . . ?
C5 C6 H6B 116.3 . . ?
Ru1 C6 H6B 116.3 . . ?
H6A C6 H6B 113.3 . . ?
F7 P2 F8 90.2(3) . . ?
F7 P2 F9 90.6(3) . . ?
F8 P2 F9 90.2(2) . . ?
F7 P2 F11 91.1(2) . . ?
F8 P2 F11 178.6(2) . . ?
F9 P2 F11 90.0(2) . . ?
F7 P2 F12 89.3(2) . . ?
F8 P2 F12 89.7(2) . . ?
F9 P2 F12 179.8(3) . . ?
F11 P2 F12 90.2(2) . . ?
F7 P2 F10 178.8(2) . . ?
F8 P2 F10 89.6(2) . . ?
F9 P2 F10 90.6(2) . . ?
F11 P2 F10 89.1(2) . . ?
F12 P2 F10 89.5(2) . . ?
C10 C9 C14 119.2(5) . . ?
C10 C9 C8 122.1(5) . . ?
C14 C9 C8 118.6(5) . . ?
C9 C10 C11 119.8(6) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C12 C11 C10 120.6(6) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C11 C12 C13 119.6(6) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
Cl2 C75 Cl1 111.5(5) . . ?
Cl2 C75 H75A 109.3 . . ?
Cl1 C75 H75A 109.3 . . ?
Cl2 C75 H75B 109.3 . . ?
Cl1 C75 H75B 109.3 . . ?
H75A C75 H75B 108.0 . . ?

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
C3 C1 N2 C2 1.1(6) . . . . ?
C3 C1 N2 C4 172.0(5) . . . . ?
C1 N2 C2 N1 -1.2(6) . . . . ?
C4 N2 C2 N1 -173.1(5) . . . . ?
C1 N2 C2 Ru1 -179.3(4) . . . . ?
C4 N2 C2 Ru1 8.8(6) . . . . ?
C3 N1 C2 N2 0.8(6) . . . . ?
C8 N1 C2 N2 175.2(5) . . . . ?
C3 N1 C2 Ru1 178.4(4) . . . . ?
C8 N1 C2 Ru1 -7.2(8) . . . . ?
C18 C19 C15 C16 -0.7(6) . . . . ?
Ru1 C19 C15 C16 63.2(4) . . . . ?
C18 C19 C15 Ru1 -63.9(4) . . . . ?
C19 C15 C16 C17 -0.2(6) . . . . ?
Ru1 C15 C16 C17 62.3(4) . . . . ?
C19 C15 C16 Ru1 -62.6(4) . . . . ?
N2 C1 C3 N1 -0.6(6) . . . . ?
C2 N1 C3 C1 -0.1(6) . . . . ?
C8 N1 C3 C1 -174.6(5) . . . . ?
C15 C16 C17 C18 1.1(6) . . . . ?
Ru1 C16 C17 C18 63.1(4) . . . . ?
C15 C16 C17 Ru1 -62.0(4) . . . . ?
C2 N2 C4 C5 -22.7(7) . . . . ?
C1 N2 C4 C5 167.1(5) . . . . ?
C16 C17 C18 C19 -1.5(6) . . . . ?
Ru1 C17 C18 C19 61.2(4) . . . . ?
C16 C17 C18 Ru1 -62.7(4) . . . . ?
C15 C19 C18 C17 1.4(6) . . . . ?
Ru1 C19 C18 C17 -61.6(4) . . . . ?
C15 C19 C18 Ru1 63.0(3) . . . . ?
N2 C4 C5 C6 103.8(6) . . . . ?
N2 C4 C5 C7 -106.8(5) . . . . ?
N2 C4 C5 Ru1 24.7(6) . . . . ?
C2 N1 C8 C9 100.9(6) . . . . ?
C3 N1 C8 C9 -85.4(6) . . . . ?
C12 C13 C14 C9 2.2(10) . . . . ?
C25 C20 C21 C22 1.1(8) . . . . ?
As1 C20 C21 C22 -178.6(4) . . . . ?
C20 C21 C22 C23 -0.5(9) . . . . ?
C21 C22 C23 C24 -0.4(9) . . . . ?
C22 C23 C24 C25 0.9(9) . . . . ?
C23 C24 C25 C20 -0.4(8) . . . . ?
C21 C20 C25 C24 -0.6(7) . . . . ?
As1 C20 C25 C24 179.1(4) . . . . ?
C31 C26 C27 C28 -1.6(8) . . . . ?
As1 C26 C27 C28 171.7(4) . . . . ?
C26 C27 C28 C29 0.2(9) . . . . ?
C27 C28 C29 C30 1.9(9) . . . . ?
C28 C29 C30 C31 -2.6(9) . . . . ?
C27 C26 C31 C30 0.9(8) . . . . ?
As1 C26 C31 C30 -172.2(4) . . . . ?
C29 C30 C31 C26 1.2(8) . . . . ?
C37 C32 C33 C34 -1.0(9) . . . . ?
As1 C32 C33 C34 178.7(5) . . . . ?
C32 C33 C34 C35 0.0(10) . . . . ?
C33 C34 C35 C36 1.4(11) . . . . ?
C34 C35 C36 C37 -1.8(12) . . . . ?
C33 C32 C37 C36 0.7(9) . . . . ?
As1 C32 C37 C36 -179.1(5) . . . . ?
C35 C36 C37 C32 0.8(11) . . . . ?
C42 C38 C39 C40 -1.1(6) . . . . ?
Ru2 C38 C39 C40 62.9(4) . . . . ?
C42 C38 C39 Ru2 -64.0(4) . . . . ?
C38 C39 C40 C41 0.5(6) . . . . ?
Ru2 C39 C40 C41 62.6(4) . . . . ?
C38 C39 C40 Ru2 -62.1(4) . . . . ?
C39 C40 C41 C42 0.4(6) . . . . ?
Ru2 C40 C41 C42 62.7(4) . . . . ?
C39 C40 C41 Ru2 -62.4(4) . . . . ?
C40 C41 C42 C38 -1.1(6) . . . . ?
Ru2 C41 C42 C38 61.7(4) . . . . ?
C40 C41 C42 Ru2 -62.7(4) . . . . ?
C39 C38 C42 C41 1.4(6) . . . . ?
Ru2 C38 C42 C41 -62.5(4) . . . . ?
C39 C38 C42 Ru2 63.8(4) . . . . ?
C44 N3 C43 N4 0.9(6) . . . . ?
C46 N3 C43 N4 171.7(5) . . . . ?
C44 N3 C43 Ru2 178.7(4) . . . . ?
C46 N3 C43 Ru2 -10.5(6) . . . . ?
C45 N4 C43 N3 -0.3(6) . . . . ?
C50 N4 C43 N3 -173.9(5) . . . . ?
C45 N4 C43 Ru2 -177.6(4) . . . . ?
C50 N4 C43 Ru2 8.8(8) . . . . ?
C43 N3 C44 C45 -1.1(7) . . . . ?
C46 N3 C44 C45 -170.7(5) . . . . ?
N3 C44 C45 N4 0.9(6) . . . . ?
C43 N4 C45 C44 -0.4(6) . . . . ?
C50 N4 C45 C44 173.4(5) . . . . ?
C43 N3 C46 C47 27.9(7) . . . . ?
C44 N3 C46 C47 -163.2(5) . . . . ?
N3 C46 C47 C49 -108.5(5) . . . . ?
N3 C46 C47 C48 102.3(5) . . . . ?
N3 C46 C47 Ru2 -30.5(5) . . . . ?
C48 C47 C49 Ru2 -110.9(5) . . . . ?
C46 C47 C49 Ru2 102.0(4) . . . . ?
C43 N4 C50 C51 -99.0(6) . . . . ?
C45 N4 C50 C51 88.2(6) . . . . ?
N4 C50 C51 C56 171.6(6) . . . . ?
N4 C50 C51 C52 -10.0(9) . . . . ?
C56 C51 C52 C53 -1.3(10) . . . . ?
C50 C51 C52 C53 -179.7(6) . . . . ?
C51 C52 C53 C54 1.6(12) . . . . ?
C52 C53 C54 C55 -0.7(13) . . . . ?
C53 C54 C55 C56 -0.3(14) . . . . ?
C52 C51 C56 C55 0.3(11) . . . . ?
C50 C51 C56 C55 178.7(7) . . . . ?
C54 C55 C56 C51 0.5(13) . . . . ?
C62 C57 C58 C59 0.1(9) . . . . ?
As2 C57 C58 C59 -174.8(5) . . . . ?
C57 C58 C59 C60 0.6(10) . . . . ?
C58 C59 C60 C61 0.3(11) . . . . ?
C59 C60 C61 C62 -2.0(11) . . . . ?
C58 C57 C62 C61 -1.8(8) . . . . ?
As2 C57 C62 C61 173.0(4) . . . . ?
C60 C61 C62 C57 2.7(9) . . . . ?
C68 C63 C64 C65 0.9(9) . . . . ?
As2 C63 C64 C65 177.9(5) . . . . ?
C63 C64 C65 C66 -2.1(9) . . . . ?
C64 C65 C66 C67 1.7(10) . . . . ?
C65 C66 C67 C68 -0.1(11) . . . . ?
C64 C63 C68 C67 0.6(9) . . . . ?
As2 C63 C68 C67 -176.2(5) . . . . ?
C66 C67 C68 C63 -1.0(10) . . . . ?
C74 C69 C70 C71 -2.0(8) . . . . ?
As2 C69 C70 C71 177.6(4) . . . . ?
C69 C70 C71 C72 1.6(8) . . . . ?
C70 C71 C72 C73 -0.4(9) . . . . ?
C71 C72 C73 C74 -0.3(9) . . . . ?
C72 C73 C74 C69 -0.1(8) . . . . ?
C70 C69 C74 C73 1.3(8) . . . . ?
As2 C69 C74 C73 -178.3(4) . . . . ?
C4 C5 C6 Ru1 -103.1(5) . . . . ?
C7 C5 C6 Ru1 110.1(5) . . . . ?
C13 C14 C9 C10 -1.7(9) . . . . ?
C13 C14 C9 C8 -178.4(5) . . . . ?
N1 C8 C9 C10 33.3(7) . . . . ?
N1 C8 C9 C14 -150.1(5) . . . . ?
C14 C9 C10 C11 0.7(9) . . . . ?
C8 C9 C10 C11 177.3(5) . . . . ?
C9 C10 C11 C12 -0.2(9) . . . . ?
C10 C11 C12 C13 0.6(10) . . . . ?
C14 C13 C12 C11 -1.7(10) . . . . ?

_refine_diff_density_max         0.661
_refine_diff_density_min         -0.567
_refine_diff_density_rms         0.069

_shelxl_version_number           2013-3

