# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_RuAu_B
_database_code_depnum_ccdc_archive 'CCDC 1452865'
_audit_update_record             
;
2016-02-10 deposited with the CCDC.
2016-07-22 downloaded from the CCDC.
;

_audit_creation_date             2016-02-10T21:23:33-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_chemical_name_common            '[RuAu] (A)'
_chemical_formula_moiety         
'2(C60 H60 Au Cl2 N10 Ru), F6 P, 2(C5 H12 O), 3(Au Cl4), 2(Au Cl'
_chemical_formula_sum            'C67 H75 Au3.50 Cl10 F3 N11 O P0.50 Ru'
_chemical_formula_weight         2267.81

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_Int_Tables_number      2
_chemical_absolute_configuration ?
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7043(3)
_cell_length_b                   15.0514(4)
_cell_length_c                   24.0777(4)
_cell_angle_alpha                78.063(2)
_cell_angle_beta                 79.898(2)
_cell_angle_gamma                67.501(2)
_cell_volume                     3812.28(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    17188
_cell_measurement_theta_min      2.8143
_cell_measurement_theta_max      29.2423

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_size_max          0.1525
_exptl_crystal_size_mid          0.0947
_exptl_crystal_size_min          0.0753
_exptl_crystal_density_diffrn    1.976
_exptl_crystal_F_000             2174
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
2 -18 -11 0.0405
6 -4 29 0.0364
15 8 -8 0.0399
4 -1 -31 0.0378
-16 -11 -11 0.0712
-3 17 13 0.0396
-7 -2 27 0.0332
-9 -1 -29 0.0587
-6 13 -13 0.0451
-2 -4 -34 0.0426
8 20 -3 0.0478
2 16 -16 0.0366
-10 10 -7 0.0445

_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    7.323
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.81101
_exptl_absorpt_correction_T_max  1
_exptl_crystal_description       fragment
_exptl_crystal_colour            'dark red'

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      180(2)
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  mirror
_diffrn_detector_area_resol_mean 10.3385
_diffrn_orient_matrix_ub_11      0.020344
_diffrn_orient_matrix_ub_12      0.0400774
_diffrn_orient_matrix_ub_13      -0.0061597
_diffrn_orient_matrix_ub_21      -0.0624553
_diffrn_orient_matrix_ub_22      0.0324798
_diffrn_orient_matrix_ub_23      -0.0015009
_diffrn_orient_matrix_ub_31      -0.0061171
_diffrn_orient_matrix_ub_32      0.0018744
_diffrn_orient_matrix_ub_33      0.0296109
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_reflns_av_R_equivalents  0.0362
_diffrn_reflns_av_unetI/netI     0.0892
_diffrn_reflns_number            43402
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         3.424
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_reflns_number_total             15558
_reflns_number_gt                12551
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
;
_computing_cell_refinement       
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
        CrysAlisPro, Agilent Technologies,
        Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
        (compiled Jan 23 2012,18:06:46)
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_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)+(0.0325P)²+11.1441P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         15558
_refine_ls_number_parameters     929
_refine_ls_number_restraints     51
_refine_ls_R_factor_all          0.0542
_refine_ls_R_factor_gt           0.0381
_refine_ls_wR_factor_ref         0.0855
_refine_ls_wR_factor_gt          0.0785
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.959
_refine_diff_density_min         -1.309
_refine_diff_density_rms         0.147

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7485(5) 0.0320(4) 0.5949(2) 0.0200(11) Uani 1 d . .
C2 C 0.8277(5) -0.0425(4) 0.5666(2) 0.0237(12) Uani 1 d . .
H2 H 0.8239 -0.0383 0.5279 0.028 Uiso 1 calc . .
C3 C 0.8304(5) -0.0504(4) 0.6792(2) 0.0234(12) Uani 1 d . .
H3 H 0.831 -0.0546 0.7182 0.028 Uiso 1 calc . .
C4 C 0.7199(5) 0.3153(4) 0.6824(2) 0.0209(12) Uani 1 d . .
C5 C 0.5891(5) 0.3500(4) 0.7068(2) 0.0222(12) Uani 1 d . .
C6 C 0.7963(5) 0.3706(4) 0.6721(2) 0.0221(12) Uani 1 d . .
H6 H 0.7638 0.4337 0.6806 0.027 Uiso 1 calc . .
C7 C 0.9198(6) 0.3333(4) 0.6494(2) 0.0253(13) Uani 1 d . .
C8 C 0.7585(6) 0.0898(4) 0.7990(2) 0.0268(13) Uani 1 d . .
H8 H 0.8137 0.1205 0.7811 0.032 Uiso 1 calc . .
C9 C 0.5879(5) 0.0481(4) 0.7975(2) 0.0219(12) Uani 1 d . .
C10 C 0.2494(5) -0.2252(4) 0.9988(2) 0.0241(12) Uani 1 d . .
C11 C 0.2451(5) -0.1761(4) 0.9434(2) 0.0236(12) Uani 1 d . .
C12 C 0.4241(5) -0.1304(4) 0.9542(2) 0.0217(12) Uani 1 d . .
C13 C 0.5038(5) -0.0445(4) 0.8794(2) 0.0225(12) Uani 1 d . .
C14 C 0.5275(5) 0.4401(4) 0.7252(2) 0.0245(13) Uani 1 d . .
H14 H 0.5699 0.4823 0.7218 0.029 Uiso 1 calc . .
C15 C 0.4038(6) 0.4682(4) 0.7486(2) 0.0266(13) Uani 1 d . .
C16 C 0.8809(6) 0.1884(4) 0.6463(2) 0.0284(13) Uani 1 d . .
H16 H 0.9107 0.1263 0.6364 0.034 Uiso 1 calc . .
C17 C 0.5049(5) 0.2718(4) 0.5815(2) 0.0249(13) Uani 1 d . .
H17 H 0.4691 0.3222 0.6031 0.03 Uiso 1 calc . .
C18 C 0.4623(6) 0.2827(4) 0.5302(2) 0.0282(13) Uani 1 d . .
H18 H 0.3971 0.3389 0.5182 0.034 Uiso 1 calc . .
C19 C 0.6132(5) 0.1294(4) 0.5156(2) 0.0260(13) Uani 1 d . .
H19 H 0.6534 0.0803 0.4933 0.031 Uiso 1 calc . .
C20 C 0.6522(5) 0.1201(4) 0.5688(2) 0.0219(12) Uani 1 d . .
C21 C 0.9143(5) -0.1250(4) 0.5951(2) 0.0226(12) Uani 1 d . .
C22 C 1.0080(6) -0.2043(4) 0.5625(3) 0.0289(13) Uani 1 d . .
C23 C 0.4960(5) 0.0492(4) 0.7641(2) 0.0211(12) Uani 1 d . .
C24 C 0.4086(5) 0.0063(4) 0.7872(2) 0.0231(12) Uani 1 d . .
C25 C 0.5935(5) 0.0021(4) 0.8538(2) 0.0221(12) Uani 1 d . .
C26 C 0.4132(5) -0.0417(4) 0.8460(2) 0.0233(12) Uani 1 d . .
C27 C 0.6888(5) -0.0004(4) 0.8832(2) 0.0262(13) Uani 1 d . .
H27 H 0.6957 -0.0304 0.9209 0.031 Uiso 1 calc . .
C28 C 0.7715(6) 0.0427(5) 0.8544(2) 0.0315(14) Uani 1 d . .
H28 H 0.8368 0.04 0.8726 0.038 Uiso 1 calc . .
C29 C 0.3328(5) -0.1283(4) 0.9209(2) 0.0235(12) Uani 1 d . .
C30 C 0.3380(5) -0.2269(4) 1.0343(2) 0.0227(12) Uani 1 d . .
C31 C 0.1554(6) -0.1776(5) 0.9115(2) 0.0317(14) Uani 1 d . .
H31 H 0.1486 -0.1449 0.8743 0.038 Uiso 1 calc . .
C32 C 0.0789(6) -0.2278(5) 0.9362(2) 0.0366(16) Uani 1 d . .
H32 H 0.0202 -0.2297 0.9154 0.044 Uiso 1 calc . .
C33 C 0.0878(6) -0.2756(5) 0.9915(3) 0.0333(15) Uani 1 d . .
H33 H 0.0349 -0.3091 1.0078 0.04 Uiso 1 calc . .
C34 C 0.4173(6) -0.2855(5) 1.1221(2) 0.0308(14) Uani 1 d . .
H34 H 0.4164 -0.3216 1.1584 0.037 Uiso 1 calc . .
C35 C 0.5036(6) -0.2411(5) 1.1042(2) 0.0338(15) Uani 1 d . .
H35 H 0.5591 -0.2464 1.1291 0.041 Uiso 1 calc . .
C36 C 0.5093(6) -0.1891(4) 1.0503(2) 0.0287(13) Uani 1 d . .
H36 H 0.5681 -0.1597 1.0385 0.034 Uiso 1 calc . .
C37 C 0.4238(5) -0.1816(4) 1.0136(2) 0.0237(12) Uani 1 d . .
C38 C 0.3223(6) 0.0092(5) 0.7530(2) 0.0324(14) Uani 1 d . .
H38 H 0.263 -0.0191 0.7673 0.039 Uiso 1 calc . .
C39 C 0.3273(6) 0.0554(5) 0.6973(3) 0.0364(16) Uani 1 d . .
H39 H 0.2697 0.0599 0.6737 0.044 Uiso 1 calc . .
C40 C 0.4176(6) 0.0948(4) 0.6767(2) 0.0324(15) Uani 1 d . .
H40 H 0.4206 0.1238 0.6387 0.039 Uiso 1 calc . .
C41 C 0.5157(5) 0.2104(4) 0.4958(2) 0.0252(13) Uani 1 d . .
C42 C 0.4113(6) 0.3136(4) 0.7325(2) 0.0296(13) Uani 1 d . .
H42 H 0.37 0.2709 0.7348 0.035 Uiso 1 calc . .
C43 C 0.3461(6) 0.4014(5) 0.7515(2) 0.0333(14) Uani 1 d . .
H43 H 0.2632 0.4163 0.7663 0.04 Uiso 1 calc . .
C44 C 0.9608(6) 0.2390(4) 0.6363(3) 0.0309(14) Uani 1 d . .
H44 H 1.0424 0.2102 0.6208 0.037 Uiso 1 calc . .
C45 C 0.9112(6) -0.1275(4) 0.6527(2) 0.0266(13) Uani 1 d . .
H45 H 0.9641 -0.1817 0.6741 0.032 Uiso 1 calc . .
C46 C 0.4700(6) 0.2175(5) 0.4380(3) 0.0359(16) Uani 1 d . .
C47 C 0.3557(7) 0.3105(5) 0.4264(3) 0.050(2) Uani 1 d . .
H47A H 0.2908 0.3113 0.457 0.075 Uiso 1 calc . .
H47B H 0.3271 0.3117 0.3912 0.075 Uiso 1 calc . .
H47C H 0.3779 0.3664 0.4238 0.075 Uiso 1 calc . .
C48 C 0.5739(7) 0.2207(6) 0.3908(3) 0.052(2) Uani 1 d . .
H48A H 0.5942 0.2768 0.3906 0.078 Uiso 1 calc . .
H48B H 0.5471 0.2244 0.3546 0.078 Uiso 1 calc . .
H48C H 0.6459 0.1629 0.3974 0.078 Uiso 1 calc . .
C49 C 0.4375(8) 0.1275(5) 0.4395(3) 0.055(2) Uani 1 d . .
H49A H 0.5106 0.07 0.4445 0.083 Uiso 1 calc . .
H49B H 0.4065 0.1317 0.4043 0.083 Uiso 1 calc . .
H49C H 0.375 0.1243 0.4708 0.083 Uiso 1 calc . .
C50 C 1.0061(6) 0.3914(4) 0.6381(3) 0.0308(14) Uani 1 d . .
C51 C 0.3338(6) 0.5648(4) 0.7703(3) 0.0359(15) Uani 1 d . .
C52A C 0.361(4) 0.646(2) 0.7303(16) 0.053(10) Uani 0.228(15) d A 1
H52A H 0.3165 0.7059 0.745 0.079 Uiso 0.228(15) calc A 1
H52B H 0.3361 0.6507 0.6936 0.079 Uiso 0.228(15) calc A 1
H52C H 0.4489 0.6332 0.7265 0.079 Uiso 0.228(15) calc A 1
C53A C 0.193(3) 0.592(2) 0.7772(14) 0.039(9) Uani 0.228(15) d A 1
H53A H 0.1716 0.5396 0.8005 0.059 Uiso 0.228(15) calc A 1
H53B H 0.1643 0.6045 0.7403 0.059 Uiso 0.228(15) calc A 1
H53C H 0.154 0.6495 0.795 0.059 Uiso 0.228(15) calc A 1
C54A C 0.375(4) 0.550(3) 0.8332(15) 0.052(11) Uani 0.228(15) d A 1
H54A H 0.3509 0.4992 0.8576 0.079 Uiso 0.228(15) calc A 1
H54B H 0.3356 0.6092 0.8488 0.079 Uiso 0.228(15) calc A 1
H54C H 0.4639 0.5311 0.8306 0.079 Uiso 0.228(15) calc A 1
C52B C 0.4142(11) 0.6256(7) 0.7649(5) 0.060(4) Uani 0.772(15) d A 2
H52D H 0.3657 0.6857 0.7791 0.09 Uiso 0.772(15) calc A 2
H52E H 0.4441 0.6392 0.7256 0.09 Uiso 0.772(15) calc A 2
H52F H 0.4835 0.5904 0.7868 0.09 Uiso 0.772(15) calc A 2
C53B C 0.2297(11) 0.6221(8) 0.7310(6) 0.072(4) Uani 0.772(15) d A 2
H53D H 0.1772 0.5855 0.7328 0.108 Uiso 0.772(15) calc A 2
H53E H 0.266 0.6329 0.6925 0.108 Uiso 0.772(15) calc A 2
H53F H 0.181 0.6836 0.7435 0.108 Uiso 0.772(15) calc A 2
C54B C 0.2757(16) 0.5468(9) 0.8307(4) 0.080(5) Uani 0.772(15) d A 2
H54D H 0.2255 0.5087 0.8321 0.12 Uiso 0.772(15) calc A 2
H54E H 0.2248 0.608 0.843 0.12 Uiso 0.772(15) calc A 2
H54F H 0.3401 0.5124 0.8554 0.12 Uiso 0.772(15) calc A 2
C55 C 1.0864(7) -0.1589(5) 0.5167(3) 0.0470(18) Uani 1 d . .
H55A H 1.0332 -0.1085 0.4912 0.07 Uiso 1 calc . .
H55B H 1.1455 -0.208 0.4957 0.07 Uiso 1 calc . .
H55C H 1.1299 -0.1315 0.5346 0.07 Uiso 1 calc . .
C56 C 0.9399(7) -0.2477(5) 0.5330(3) 0.0500(19) Uani 1 d . .
H56A H 0.8917 -0.2778 0.5613 0.075 Uiso 1 calc . .
H56B H 0.9997 -0.2955 0.5113 0.075 Uiso 1 calc . .
H56C H 0.8859 -0.1969 0.508 0.075 Uiso 1 calc . .
C57 C 1.0927(8) -0.2848(6) 0.6023(3) 0.060(2) Uani 1 d . .
H57A H 1.1372 -0.2583 0.6201 0.09 Uiso 1 calc . .
H57B H 1.1508 -0.3337 0.5809 0.09 Uiso 1 calc . .
H57C H 1.0437 -0.3134 0.6312 0.09 Uiso 1 calc . .
C58 C 0.6302(10) 0.8053(7) 0.7300(4) 0.085(3) Uani 1 d . .
H58A H 0.6903 0.766 0.7039 0.127 Uiso 1 calc . .
H58B H 0.5886 0.8689 0.7099 0.127 Uiso 1 calc . .
H58C H 0.5704 0.7755 0.7468 0.127 Uiso 1 calc . .
C59 C 0.7551(8) 0.7227(5) 0.8065(4) 0.058(2) Uani 1 d . .
C60 C 0.8283(10) 0.7530(7) 0.8421(5) 0.092(3) Uani 1 d . .
H60A H 0.8759 0.7878 0.817 0.138 Uiso 1 calc . .
H60B H 0.8834 0.6959 0.8632 0.138 Uiso 1 calc . .
H60C H 0.7711 0.7941 0.8682 0.138 Uiso 1 calc . .
C61 C 0.6646(9) 0.6813(7) 0.8448(4) 0.077(3) Uani 1 d . .
H61A H 0.6086 0.7286 0.8678 0.115 Uiso 1 calc . .
H61B H 0.7096 0.6236 0.8691 0.115 Uiso 1 calc . .
H61C H 0.618 0.6653 0.8218 0.115 Uiso 1 calc . .
C62 C 0.8434(10) 0.6499(6) 0.7697(4) 0.089(3) Uani 1 d . .
H62A H 0.7968 0.6311 0.7482 0.133 Uiso 1 calc . .
H62B H 0.8928 0.5935 0.7935 0.133 Uiso 1 calc . .
H62C H 0.8968 0.6786 0.744 0.133 Uiso 1 calc . .
C63A C 0.949(2) 0.4826(18) 0.6657(14) 0.090(10) Uani 0.51(2) d B 1
H63A H 0.8695 0.5214 0.6519 0.134 Uiso 0.51(2) calc B 1
H63B H 1.0027 0.5193 0.6562 0.134 Uiso 0.51(2) calc B 1
H63C H 0.9373 0.4649 0.7064 0.134 Uiso 0.51(2) calc B 1
C64A C 1.1293(17) 0.3304(13) 0.6580(11) 0.065(6) Uani 0.51(2) d B 1
H64A H 1.182 0.3681 0.6505 0.098 Uiso 0.51(2) calc B 1
H64B H 1.1666 0.2753 0.6381 0.098 Uiso 0.51(2) calc B 1
H64C H 1.1192 0.3083 0.6983 0.098 Uiso 0.51(2) calc B 1
C65A C 1.024(2) 0.4244(17) 0.5747(7) 0.066(6) Uani 0.51(2) d B 1
H65A H 0.9449 0.4638 0.5612 0.099 Uiso 0.51(2) calc B 1
H65B H 1.0616 0.3685 0.5554 0.099 Uiso 0.51(2) calc B 1
H65C H 1.0773 0.4617 0.5671 0.099 Uiso 0.51(2) calc B 1
C63B C 1.015(3) 0.417(3) 0.6921(9) 0.097(12) Uani 0.49(2) d B 2
H63D H 1.0691 0.4539 0.6855 0.145 Uiso 0.49(2) calc B 2
H63E H 1.0479 0.3593 0.7187 0.145 Uiso 0.49(2) calc B 2
H63F H 0.9339 0.4563 0.7075 0.145 Uiso 0.49(2) calc B 2
C64B C 1.1371(19) 0.3334(15) 0.6154(12) 0.075(7) Uani 0.49(2) d B 2
H64D H 1.1353 0.3123 0.5807 0.113 Uiso 0.49(2) calc B 2
H64E H 1.1724 0.2776 0.6432 0.113 Uiso 0.49(2) calc B 2
H64F H 1.1869 0.3734 0.608 0.113 Uiso 0.49(2) calc B 2
C65B C 0.959(2) 0.4749(17) 0.5918(10) 0.072(7) Uani 0.49(2) d B 2
H65D H 0.9575 0.4507 0.5582 0.108 Uiso 0.49(2) calc B 2
H65E H 1.0136 0.5114 0.5834 0.108 Uiso 0.49(2) calc B 2
H65F H 0.877 0.5162 0.6042 0.108 Uiso 0.49(2) calc B 2
C67 C 0.1976(14) 0.3970(11) 0.9829(6) 0.147(6) Uiso 1 d . .
H67A H 0.1525 0.3716 1.0153 0.221 Uiso 1 calc . .
H67B H 0.2692 0.4016 0.9947 0.221 Uiso 1 calc . .
H67C H 0.224 0.3545 0.9547 0.221 Uiso 1 calc . .
N1 N 0.5314(4) 0.2862(3) 0.71076(18) 0.0226(10) Uani 1 d . .
N2 N 0.5965(4) 0.1911(3) 0.60190(18) 0.0207(10) Uani 1 d . .
N3 N 0.6683(4) 0.0926(3) 0.76981(18) 0.0216(10) Uani 1 d . .
N4 N 0.5020(4) 0.0936(3) 0.70858(18) 0.0204(10) Uani 1 d . .
N5 N 0.7513(4) 0.0300(3) 0.65191(18) 0.0195(10) Uani 1 d . .
N6 N 0.7630(4) 0.2236(3) 0.66950(18) 0.0220(10) Uani 1 d . .
N7 N 0.3299(4) -0.0840(3) 0.86684(18) 0.0250(11) Uani 1 d . .
N8 N 0.5075(4) -0.0891(3) 0.93372(19) 0.0239(10) Uani 1 d . .
N9 N 0.1719(5) -0.2742(3) 1.02218(19) 0.0260(11) Uani 1 d . .
N10 N 0.3350(5) -0.2770(3) 1.08764(18) 0.0257(11) Uani 1 d . .
N11 N 0.0405(16) 0.5652(12) 0.9440(7) 0.206(7) Uiso 1 d . .
F1 F 0.5069(11) 0.4035(7) 0.0241(5) 0.232(6) Uani 1 d . .
F2 F 0.3671(11) 0.5340(8) 0.0060(6) 0.214(5) Uani 1 d . .
F3 F 0.4820(11) 0.5292(8) 0.0578(4) 0.215(5) Uani 1 d . .
P1 P 0.5 0.5 0 0.0526(8) Uani 1 d . .
Cl1 Cl 0.06306(17) -0.41320(13) 1.11228(7) 0.0445(4) Uani 1 d . .
Cl2 Cl 0.25616(18) -0.41672(14) 1.19098(7) 0.0481(5) Uani 1 d . .
Cl3 Cl 0.24103(19) 0.22718(15) 0.83517(8) 0.0553(5) Uani 1 d . .
Cl4 Cl -0.00367(17) 0.06210(13) 0.93393(7) 0.0428(4) Uani 1 d . .
Cl5 Cl 0.01787(19) 0.17372(15) 0.80555(8) 0.0522(5) Uani 1 d . .
Cl6 Cl 0.21599(18) 0.11553(15) 0.96400(8) 0.0529(5) Uani 1 d . .
Cl7 Cl 0.16801(17) 0.02018(13) 0.59041(7) 0.0447(4) Uani 1 d . .
Cl8 Cl 0.07108(19) -0.11525(14) 0.77008(7) 0.0502(5) Uani 1 d . .
Cl9 Cl 0.30548(19) 0.56561(14) 0.47051(9) 0.0574(5) Uani 1 d . .
Cl10 Cl 0.5834(2) 0.47790(13) 0.40880(7) 0.0540(5) Uani 1 d . .
Ru5 Ru 0.63696(4) 0.15333(3) 0.68556(2) 0.01948(10) Uani 1 d . .
Au1 Au 0.20568(2) -0.34315(2) 1.10283(2) 0.02820(7) Uani 1 d . .
Au2 Au 0.5 0.5 0.5 0.03353(9) Uani 1 d . .
Au3 Au 0.11968(3) -0.05038(2) 0.67995(2) 0.03672(7) Uani 1 d . .
Au4 Au 0.11769(2) 0.14487(2) 0.88438(2) 0.03388(7) Uani 1 d . .
O1 O 0.6912(6) 0.8136(4) 0.7734(2) 0.0651(16) Uani 1 d . .
C66 C 0.1189(17) 0.4920(12) 0.9590(8) 0.175(7) Uiso 1 d . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
C1 C2 1.371(8) . ?
C1 N5 1.373(6) . ?
C1 C20 1.478(7) . ?
C2 C21 1.402(8) . ?
C3 N5 1.334(7) . ?
C3 C45 1.379(8) . ?
C4 N6 1.359(7) . ?
C4 C6 1.401(8) . ?
C4 C5 1.469(8) . ?
C5 N1 1.350(7) . ?
C5 C14 1.394(8) . ?
C6 C7 1.390(8) . ?
C7 C44 1.398(8) . ?
C7 C50 1.529(8) . ?
C8 N3 1.350(7) . ?
C8 C28 1.381(8) . ?
C9 N3 1.362(7) . ?
C9 C25 1.390(7) . ?
C9 C23 1.444(7) . ?
C10 N9 1.359(7) . ?
C10 C11 1.383(7) . ?
C10 C30 1.444(8) . ?
C11 C31 1.414(8) . ?
C11 C29 1.441(8) . ?
C12 N8 1.324(7) . ?
C12 C29 1.432(7) . ?
C12 C37 1.478(7) . ?
C13 N8 1.341(7) . ?
C13 C26 1.422(8) . ?
C13 C25 1.460(8) . ?
C14 C15 1.391(8) . ?
C15 C43 1.394(9) . ?
C15 C51 1.520(8) . ?
C16 N6 1.338(7) . ?
C16 C44 1.380(8) . ?
C17 N2 1.345(7) . ?
C17 C18 1.368(8) . ?
C18 C41 1.388(8) . ?
C19 C41 1.380(8) . ?
C19 C20 1.395(7) . ?
C20 N2 1.357(7) . ?
C21 C45 1.375(8) . ?
C21 C22 1.524(8) . ?
C22 C57 1.518(9) . ?
C22 C55 1.530(9) . ?
C22 C56 1.534(9) . ?
C23 N4 1.368(7) . ?
C23 C24 1.391(8) . ?
C24 C38 1.394(8) . ?
C24 C26 1.450(7) . ?
C25 C27 1.406(8) . ?
C26 N7 1.334(7) . ?
C27 C28 1.377(8) . ?
C29 N7 1.333(7) . ?
C30 N10 1.351(7) . ?
C30 C37 1.389(8) . ?
C31 C32 1.368(9) . ?
C32 C33 1.378(8) . ?
C33 N9 1.337(7) . ?
C34 N10 1.332(7) . ?
C34 C35 1.377(9) . ?
C35 C36 1.374(8) . ?
C36 C37 1.407(8) . ?
C38 C39 1.380(8) . ?
C39 C40 1.373(8) . ?
C40 N4 1.346(7) . ?
C41 C46 1.546(8) . ?
C42 N1 1.345(7) . ?
C42 C43 1.376(8) . ?
C46 C48 1.520(10) . ?
C46 C49 1.534(9) . ?
C46 C47 1.537(9) . ?
C50 C63B 1.47(2) . ?
C50 C64B 1.51(2) . ?
C50 C64A 1.484(18) . ?
C50 C65B 1.492(19) . ?
C50 C65A 1.508(17) . ?
C50 C63A 1.514(18) . ?
C51 C52A 1.49(4) . ?
C51 C54B 1.510(12) . ?
C51 C52B 1.520(13) . ?
C51 C53A 1.53(3) . ?
C51 C53B 1.544(12) . ?
C51 C54A 1.62(3) . ?
C58 O1 1.414(10) . ?
C59 O1 1.429(9) . ?
C59 C62 1.506(12) . ?
C59 C61 1.513(11) . ?
C59 C60 1.549(12) . ?
C67 C66 1.435(9) . ?
N1 Ru5 2.059(4) . ?
N2 Ru5 2.064(4) . ?
N3 Ru5 2.079(4) . ?
N4 Ru5 2.045(4) . ?
N5 Ru5 2.058(4) . ?
N6 Ru5 2.066(5) . ?
N9 Au1 2.031(4) . ?
N10 Au1 2.056(5) . ?
N11 C66 1.169(9) . ?
F1 P1 1.425(10) . ?
F2 P1 1.431(12) . ?
F3 P1 1.500(9) . ?
P1 F1 1.425(10) 2_665 ?
P1 F2 1.431(12) 2_665 ?
P1 F3 1.500(9) 2_665 ?
Cl1 Au1 2.2504(16) . ?
Cl2 Au1 2.2465(15) . ?
Cl3 Au4 2.2768(18) . ?
Cl4 Au4 2.2667(17) . ?
Cl5 Au4 2.2815(17) . ?
Cl6 Au4 2.2865(17) . ?
Cl7 Au3 2.2762(17) . ?
Cl8 Au3 2.2586(18) . ?
Cl9 Au2 2.2845(19) . ?
Cl10 Au2 2.2776(17) . ?
Au2 Cl10 2.2776(17) 2_666 ?
Au2 Cl9 2.2845(19) 2_666 ?

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 C1 N5 121.7(5) . . ?
C2 C1 C20 124.9(5) . . ?
N5 C1 C20 113.4(5) . . ?
C1 C2 C21 121.2(5) . . ?
N5 C3 C45 123.7(5) . . ?
N6 C4 C6 121.2(5) . . ?
N6 C4 C5 114.6(5) . . ?
C6 C4 C5 124.2(5) . . ?
N1 C5 C14 121.5(5) . . ?
N1 C5 C4 114.2(5) . . ?
C14 C5 C4 124.3(5) . . ?
C7 C6 C4 121.4(5) . . ?
C6 C7 C44 115.8(5) . . ?
C6 C7 C50 122.7(5) . . ?
C44 C7 C50 121.4(5) . . ?
N3 C8 C28 122.1(5) . . ?
N3 C9 C25 123.3(5) . . ?
N3 C9 C23 115.8(5) . . ?
C25 C9 C23 121.0(5) . . ?
N9 C10 C11 122.0(5) . . ?
N9 C10 C30 117.0(5) . . ?
C11 C10 C30 121.0(5) . . ?
C10 C11 C31 117.6(5) . . ?
C10 C11 C29 118.9(5) . . ?
C31 C11 C29 123.5(5) . . ?
N8 C12 C29 122.6(5) . . ?
N8 C12 C37 119.7(5) . . ?
C29 C12 C37 117.7(5) . . ?
N8 C13 C26 120.9(5) . . ?
N8 C13 C25 119.9(5) . . ?
C26 C13 C25 119.2(5) . . ?
C15 C14 C5 121.5(5) . . ?
C14 C15 C43 115.8(5) . . ?
C14 C15 C51 123.2(6) . . ?
C43 C15 C51 121.0(6) . . ?
N6 C16 C44 123.6(5) . . ?
N2 C17 C18 122.5(5) . . ?
C17 C18 C41 120.6(5) . . ?
C41 C19 C20 120.8(5) . . ?
N2 C20 C19 120.9(5) . . ?
N2 C20 C1 115.2(4) . . ?
C19 C20 C1 123.8(5) . . ?
C45 C21 C2 116.0(5) . . ?
C45 C21 C22 123.1(5) . . ?
C2 C21 C22 120.9(5) . . ?
C57 C22 C21 111.0(5) . . ?
C57 C22 C55 109.3(6) . . ?
C21 C22 C55 108.7(5) . . ?
C57 C22 C56 109.2(6) . . ?
C21 C22 C56 110.2(5) . . ?
C55 C22 C56 108.5(6) . . ?
N4 C23 C24 122.6(5) . . ?
N4 C23 C9 115.9(5) . . ?
C24 C23 C9 121.5(5) . . ?
C23 C24 C38 119.1(5) . . ?
C23 C24 C26 118.0(5) . . ?
C38 C24 C26 122.8(5) . . ?
C9 C25 C27 118.2(5) . . ?
C9 C25 C13 119.0(5) . . ?
C27 C25 C13 122.7(5) . . ?
N7 C26 C13 121.8(5) . . ?
N7 C26 C24 116.9(5) . . ?
C13 C26 C24 121.3(5) . . ?
C28 C27 C25 118.1(5) . . ?
C27 C28 C8 120.7(5) . . ?
N7 C29 C12 120.1(5) . . ?
N7 C29 C11 118.0(5) . . ?
C12 C29 C11 121.8(5) . . ?
N10 C30 C37 122.2(5) . . ?
N10 C30 C10 116.5(5) . . ?
C37 C30 C10 121.3(5) . . ?
C32 C31 C11 119.0(5) . . ?
C31 C32 C33 120.7(6) . . ?
N9 C33 C32 120.7(6) . . ?
N10 C34 C35 120.3(5) . . ?
C36 C35 C34 121.3(5) . . ?
C35 C36 C37 118.3(6) . . ?
C30 C37 C36 117.8(5) . . ?
C30 C37 C12 119.3(5) . . ?
C36 C37 C12 122.9(5) . . ?
C39 C38 C24 118.1(6) . . ?
C40 C39 C38 119.8(5) . . ?
N4 C40 C39 123.6(5) . . ?
C19 C41 C18 116.9(5) . . ?
C19 C41 C46 120.1(5) . . ?
C18 C41 C46 123.0(5) . . ?
N1 C42 C43 123.7(6) . . ?
C42 C43 C15 120.3(6) . . ?
C16 C44 C7 120.4(6) . . ?
C21 C45 C3 120.6(5) . . ?
C48 C46 C49 110.2(6) . . ?
C48 C46 C47 108.5(6) . . ?
C49 C46 C47 110.1(6) . . ?
C48 C46 C41 108.5(5) . . ?
C49 C46 C41 108.4(5) . . ?
C47 C46 C41 111.1(5) . . ?
C63B C50 C64B 106.7(15) . . ?
C63B C50 C65B 115.5(15) . . ?
C64B C50 C65B 105.3(13) . . ?
C64A C50 C65A 108.6(12) . . ?
C64A C50 C63A 110.8(14) . . ?
C65A C50 C63A 106.6(14) . . ?
C63B C50 C7 108.7(10) . . ?
C64B C50 C7 112.6(8) . . ?
C64A C50 C7 110.8(8) . . ?
C65B C50 C7 108.1(9) . . ?
C65A C50 C7 108.7(8) . . ?
C63A C50 C7 111.3(9) . . ?
C52A C51 C15 111.1(14) . . ?
C54B C51 C15 109.5(6) . . ?
C54B C51 C52B 112.3(8) . . ?
C15 C51 C52B 112.8(6) . . ?
C52A C51 C53A 106.8(19) . . ?
C15 C51 C53A 113.1(13) . . ?
C54B C51 C53B 109.1(9) . . ?
C15 C51 C53B 106.0(6) . . ?
C52B C51 C53B 106.9(8) . . ?
C52A C51 C54A 113(2) . . ?
C15 C51 C54A 105.5(12) . . ?
C53A C51 C54A 107.1(18) . . ?
O1 C59 C62 112.1(7) . . ?
O1 C59 C61 111.2(7) . . ?
C62 C59 C61 110.4(7) . . ?
O1 C59 C60 101.6(6) . . ?
C62 C59 C60 110.3(8) . . ?
C61 C59 C60 110.9(8) . . ?
C42 N1 C5 117.2(5) . . ?
C42 N1 Ru5 125.6(4) . . ?
C5 N1 Ru5 117.1(4) . . ?
C17 N2 C20 118.2(4) . . ?
C17 N2 Ru5 124.9(4) . . ?
C20 N2 Ru5 115.7(3) . . ?
C8 N3 C9 117.5(5) . . ?
C8 N3 Ru5 128.4(4) . . ?
C9 N3 Ru5 114.1(3) . . ?
C40 N4 C23 116.7(5) . . ?
C40 N4 Ru5 128.4(4) . . ?
C23 N4 Ru5 114.9(3) . . ?
C3 N5 C1 116.7(5) . . ?
C3 N5 Ru5 126.9(4) . . ?
C1 N5 Ru5 116.4(3) . . ?
C16 N6 C4 117.5(5) . . ?
C16 N6 Ru5 126.2(4) . . ?
C4 N6 Ru5 116.3(4) . . ?
C29 N7 C26 117.6(5) . . ?
C12 N8 C13 116.9(5) . . ?
C33 N9 C10 120.0(5) . . ?
C33 N9 Au1 127.4(4) . . ?
C10 N9 Au1 112.6(4) . . ?
C34 N10 C30 120.1(5) . . ?
C34 N10 Au1 127.3(4) . . ?
C30 N10 Au1 112.4(4) . . ?
F1 P1 F1 180 . 2_665 ?
F1 P1 F2 88.8(6) . 2_665 ?
F1 P1 F2 91.2(6) 2_665 2_665 ?
F1 P1 F2 91.2(6) . . ?
F1 P1 F2 88.8(6) 2_665 . ?
F2 P1 F2 180 2_665 . ?
F1 P1 F3 87.7(7) . 2_665 ?
F1 P1 F3 92.3(7) 2_665 2_665 ?
F2 P1 F3 84.0(6) 2_665 2_665 ?
F2 P1 F3 96.0(6) . 2_665 ?
F1 P1 F3 92.3(7) . . ?
F1 P1 F3 87.7(7) 2_665 . ?
F2 P1 F3 96.0(6) 2_665 . ?
F2 P1 F3 84.0(6) . . ?
F3 P1 F3 180 2_665 . ?
N4 Ru5 N5 89.16(18) . . ?
N4 Ru5 N1 96.36(18) . . ?
N5 Ru5 N1 172.94(17) . . ?
N4 Ru5 N2 91.47(17) . . ?
N5 Ru5 N2 78.54(17) . . ?
N1 Ru5 N2 96.86(17) . . ?
N4 Ru5 N6 173.41(18) . . ?
N5 Ru5 N6 96.92(18) . . ?
N1 Ru5 N6 77.78(18) . . ?
N2 Ru5 N6 92.21(17) . . ?
N4 Ru5 N3 79.36(17) . . ?
N5 Ru5 N3 95.19(17) . . ?
N1 Ru5 N3 90.16(17) . . ?
N2 Ru5 N3 169.04(17) . . ?
N6 Ru5 N3 97.51(17) . . ?
N9 Au1 N10 81.37(18) . . ?
N9 Au1 Cl2 175.67(15) . . ?
N10 Au1 Cl2 94.40(13) . . ?
N9 Au1 Cl1 94.45(14) . . ?
N10 Au1 Cl1 175.65(13) . . ?
Cl2 Au1 Cl1 89.77(6) . . ?
Cl10 Au2 Cl10 180 . 2_666 ?
Cl10 Au2 Cl9 89.76(7) . . ?
Cl10 Au2 Cl9 90.24(7) 2_666 . ?
Cl10 Au2 Cl9 90.24(7) . 2_666 ?
Cl10 Au2 Cl9 89.76(7) 2_666 2_666 ?
Cl9 Au2 Cl9 180 . 2_666 ?
Cl8 Au3 Cl7 177.81(6) . . ?
Cl4 Au4 Cl3 179.46(7) . . ?
Cl4 Au4 Cl5 90.00(7) . . ?
Cl3 Au4 Cl5 90.49(7) . . ?
Cl4 Au4 Cl6 89.40(7) . . ?
Cl3 Au4 Cl6 90.12(7) . . ?
Cl5 Au4 Cl6 179.37(7) . . ?
C58 O1 C59 113.9(7) . . ?
N11 C66 C67 170(2) . . ?

# The following lines are used to test the character set of files sent by
# network email or other means. They are not part of the CIF data set
# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789
# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./

# END of CIF
####################################################################### 
# 
# 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_ds1101
_database_code_depnum_ccdc_archive 'CCDC 1452866'
_audit_update_record             
;
2016-02-10 deposited with the CCDC.
2016-07-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_common            '[RuAu]_B'
_chemical_formula_moiety         
'C60 H60 Au Cl2 N10 Ru, C4 H10 O, 1.5(Au Cl2), 1.5(Au Cl4)'
_chemical_formula_sum            'C64 H70 Au4 Cl11 N10 O Ru'
_chemical_melting_point          ?

_exptl_crystal_description       plate
_exptl_crystal_colour            red

_diffrn_ambient_temperature      100(2)
_chemical_formula_weight         2274.19

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_int_tables_number      2
_chemical_absolute_configuration ?
_symmetry_space_group_name_Hall  -P1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.2792(14)
_cell_length_b                   15.2758(19)
_cell_length_c                   23.259(3)
_cell_angle_alpha                78.519(2)
_cell_angle_beta                 78.669(2)
_cell_angle_gamma                68.620(2)
_cell_volume                     3623.1(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9942
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      27.19
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.085
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2158
_exptl_absorpt_coefficient_mu    8.728
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.552
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   'SADABS, Bruker-AXS, 2008'

_exptl_special_details           
; 
 ? 
;
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'ImuS micro-focus tube'
_diffrn_radiation_monochromator  'Quazar focussing montel optics'
_diffrn_measurement_device_type  'Bruker Kappa APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 83.33
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            56329
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_sigmaI/netI    0.0520
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.92
_diffrn_reflns_theta_max         27.10
_reflns_number_total             15930
_reflns_number_gt                12441
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_structure_refinement  'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_molecular_graphics    'SHELXTL 6.12 (Bruker AXS, 2002)'
_computing_publication_material  'SHELXTL 6.12 (Bruker AXS, 2002)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0578P)²+69.2277P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         15930
_refine_ls_number_parameters     921
_refine_ls_number_restraints     114
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0569
_refine_ls_wR_factor_ref         0.1544
_refine_ls_wR_factor_gt          0.1399
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.060
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.96222(7) 0.83847(5) 0.30363(3) 0.01761(15) Uani 1 1 d . . .
Au1 Au 0.43124(5) 1.40468(3) -0.123980(17) 0.03268(11) Uani 1 1 d . . .
Cl1 Cl 0.2273(3) 1.4769(2) -0.14324(12) 0.0417(6) Uani 1 1 d . . .
Cl2 Cl 0.4966(3) 1.4845(2) -0.20868(12) 0.0460(7) Uani 1 1 d . . .
N1 N 1.0154(7) 0.8968(5) 0.2190(3) 0.0204(15) Uani 1 1 d . . .
N2 N 0.8268(8) 1.1047(6) 0.0515(3) 0.0246(17) Uani 1 1 d . . .
N3 N 0.6132(9) 1.3346(6) -0.1019(3) 0.0310(19) Uani 1 1 d . . .
N4 N 0.3869(9) 1.3280(6) -0.0459(3) 0.0293(19) Uani 1 1 d . . .
N5 N 0.5849(8) 1.1018(6) 0.1100(3) 0.0256(17) Uani 1 1 d . . .
N6 N 0.8792(7) 0.8047(5) 0.3880(3) 0.0171(14) Uani 1 1 d . . .
N7 N 0.9252(7) 0.9607(5) 0.3387(3) 0.0207(15) Uani 1 1 d . . .
N8 N 1.1437(7) 0.7686(5) 0.3258(3) 0.0198(15) Uani 1 1 d . . .
N9 N 1.0061(7) 0.7088(5) 0.2769(3) 0.0202(15) Uani 1 1 d . . .
N10 N 0.7870(7) 0.8978(5) 0.2732(3) 0.0208(15) Uani 1 1 d . . .
C1 C 0.9150(9) 0.9477(6) 0.1885(4) 0.0207(18) Uani 1 1 d . . .
C2 C 1.1333(9) 0.8969(7) 0.1928(4) 0.0236(19) Uani 1 1 d . . .
H2B H 1.2052 0.8620 0.2132 0.028 Uiso 1 1 calc R . .
C3 C 1.1523(10) 0.9456(7) 0.1379(5) 0.031(2) Uani 1 1 d . . .
H3A H 1.2367 0.9445 0.1213 0.037 Uiso 1 1 calc R . .
C4 C 1.0526(10) 0.9957(7) 0.1061(5) 0.030(2) Uani 1 1 d . . .
H4A H 1.0671 1.0284 0.0676 0.036 Uiso 1 1 calc R . .
C5 C 0.8139(9) 1.0522(6) 0.1044(4) 0.0222(19) Uani 1 1 d . . .
C6 C 0.6916(10) 1.0504(7) 0.1334(4) 0.024(2) Uani 1 1 d . . .
C7 C 0.5640(9) 0.9874(7) 0.2208(4) 0.0233(19) Uani 1 1 d . . .
H7A H 0.4874 1.0186 0.2032 0.028 Uiso 1 1 calc R . .
C8 C 0.5626(9) 0.9339(7) 0.2763(4) 0.028(2) Uani 1 1 d . . .
H8A H 0.4848 0.9260 0.2970 0.033 Uiso 1 1 calc R . .
C9 C 0.6738(9) 0.8924(6) 0.3011(4) 0.0236(19) Uani 1 1 d . . .
H9A H 0.6706 0.8582 0.3399 0.028 Uiso 1 1 calc R . .
C10 C 0.7899(8) 0.9474(6) 0.2181(4) 0.0197(18) Uani 1 1 d . . .
C11 C 0.9277(9) 0.9979(7) 0.1320(4) 0.0229(19) Uani 1 1 d . . .
C12 C 0.6805(9) 0.9940(7) 0.1917(4) 0.0219(18) Uani 1 1 d . . .
C13 C 0.7165(10) 1.1572(7) 0.0292(4) 0.026(2) Uani 1 1 d . . .
C14 C 0.7274(11) 1.2185(7) -0.0270(4) 0.030(2) Uani 1 1 d . . .
C15 C 0.8411(12) 1.2274(8) -0.0582(4) 0.033(2) Uani 1 1 d . . .
H15A H 0.9206 1.1906 -0.0441 0.040 Uiso 1 1 calc R . .
C16 C 0.8382(12) 1.2900(8) -0.1098(5) 0.036(2) Uani 1 1 d . . .
H16A H 0.9156 1.2975 -0.1312 0.043 Uiso 1 1 calc R . .
C17 C 0.7227(13) 1.3416(8) -0.1304(4) 0.040(3) Uani 1 1 d . . .
H17A H 0.7222 1.3837 -0.1664 0.048 Uiso 1 1 calc R . .
C18 C 0.6106(11) 1.2746(7) -0.0498(4) 0.028(2) Uani 1 1 d . . .
C19 C 0.4870(11) 1.2715(7) -0.0199(4) 0.027(2) Uani 1 1 d . . .
C20 C 0.2682(12) 1.3295(9) -0.0203(5) 0.040(3) Uani 1 1 d . . .
H20A H 0.1956 1.3695 -0.0390 0.048 Uiso 1 1 calc R . .
C21 C 0.2512(12) 1.2726(9) 0.0334(5) 0.040(3) Uani 1 1 d . . .
H21A H 0.1673 1.2742 0.0514 0.047 Uiso 1 1 calc R . .
C22 C 0.3560(11) 1.2146(8) 0.0600(4) 0.035(2) Uani 1 1 d . . .
H22A H 0.3454 1.1753 0.0964 0.043 Uiso 1 1 calc R . .
C23 C 0.4788(10) 1.2133(7) 0.0333(4) 0.025(2) Uani 1 1 d . . .
C24 C 0.5953(10) 1.1545(7) 0.0585(4) 0.025(2) Uani 1 1 d . . .
C25 C 0.8509(8) 0.7264(6) 0.4090(4) 0.0191(17) Uani 1 1 d . . .
H25A H 0.8833 0.6759 0.3858 0.023 Uiso 1 1 calc R . .
C26 C 0.7766(8) 0.7142(6) 0.4628(4) 0.0185(17) Uani 1 1 d . . .
H26A H 0.7583 0.6568 0.4755 0.022 Uiso 1 1 calc R . .
C27 C 0.7292(8) 0.7858(6) 0.4982(4) 0.0193(17) Uani 1 1 d . . .
C28 C 0.7610(8) 0.8674(6) 0.4761(4) 0.0185(17) Uani 1 1 d . . .
H28A H 0.7310 0.9184 0.4988 0.022 Uiso 1 1 calc R . .
C29 C 0.8345(9) 0.8756(6) 0.4223(4) 0.0209(18) Uani 1 1 d . . .
C30 C 0.8682(8) 0.9617(6) 0.3955(4) 0.0195(17) Uani 1 1 d . . .
C31 C 0.8456(8) 1.0358(6) 0.4269(4) 0.0184(17) Uani 1 1 d . . .
H31A H 0.8070 1.0327 0.4670 0.022 Uiso 1 1 calc R . .
C32 C 0.8799(8) 1.1152(6) 0.3992(4) 0.0200(18) Uani 1 1 d . . .
C33 C 0.9335(9) 1.1145(6) 0.3403(4) 0.0224(19) Uani 1 1 d . . .
H33A H 0.9548 1.1678 0.3189 0.027 Uiso 1 1 calc R . .
C34 C 0.9565(9) 1.0362(6) 0.3120(4) 0.0198(18) Uani 1 1 d . . .
H34A H 0.9963 1.0369 0.2720 0.024 Uiso 1 1 calc R . .
C35 C 0.6484(9) 0.7785(6) 0.5581(4) 0.0219(18) Uani 1 1 d . . .
C36 C 0.5246(9) 0.8663(7) 0.5602(5) 0.027(2) Uani 1 1 d . . .
H36A H 0.4772 0.8706 0.5281 0.040 Uiso 1 1 calc R . .
H36B H 0.5473 0.9237 0.5555 0.040 Uiso 1 1 calc R . .
H36C H 0.4708 0.8603 0.5984 0.040 Uiso 1 1 calc R . .
C37 C 0.6134(9) 0.6885(6) 0.5716(4) 0.0243(19) Uani 1 1 d . . .
H37A H 0.5711 0.6853 0.5395 0.036 Uiso 1 1 calc R . .
H37B H 0.5550 0.6895 0.6089 0.036 Uiso 1 1 calc R . .
H37C H 0.6916 0.6329 0.5752 0.036 Uiso 1 1 calc R . .
C38 C 0.7293(10) 0.7748(7) 0.6047(5) 0.029(2) Uani 1 1 d . . .
H38A H 0.8044 0.7165 0.6048 0.043 Uiso 1 1 calc R . .
H38B H 0.6775 0.7756 0.6438 0.043 Uiso 1 1 calc R . .
H38C H 0.7579 0.8300 0.5953 0.043 Uiso 1 1 calc R . .
C39 C 0.8631(9) 1.1957(6) 0.4331(4) 0.0201(18) Uani 1 1 d . . .
C40 C 0.9469(9) 1.1529(7) 0.4834(4) 0.026(2) Uani 1 1 d . . .
H40A H 1.0360 1.1215 0.4667 0.039 Uiso 1 1 calc R . .
H40B H 0.9149 1.1065 0.5110 0.039 Uiso 1 1 calc R . .
H40C H 0.9431 1.2036 0.5045 0.039 Uiso 1 1 calc R . .
C41 C 0.7223(9) 1.2382(6) 0.4590(5) 0.028(2) Uani 1 1 d . . .
H41A H 0.6681 1.2572 0.4275 0.041 Uiso 1 1 calc R . .
H41B H 0.7108 1.2939 0.4772 0.041 Uiso 1 1 calc R . .
H41C H 0.6977 1.1908 0.4891 0.041 Uiso 1 1 calc R . .
C42 C 0.9056(10) 1.2740(6) 0.3936(4) 0.025(2) Uani 1 1 d . . .
H42A H 0.8536 1.3008 0.3611 0.038 Uiso 1 1 calc R . .
H42B H 0.9964 1.2477 0.3774 0.038 Uiso 1 1 calc R . .
H42C H 0.8943 1.3240 0.4170 0.038 Uiso 1 1 calc R . .
C43 C 1.2135(9) 0.8035(6) 0.3507(4) 0.0195(17) Uani 1 1 d . . .
H43A H 1.1772 0.8676 0.3581 0.023 Uiso 1 1 calc R . .
C44 C 1.3328(9) 0.7515(7) 0.3656(4) 0.0236(19) Uani 1 1 d . . .
H44A H 1.3772 0.7802 0.3825 0.028 Uiso 1 1 calc R . .
C45 C 1.3913(9) 0.6558(6) 0.3564(4) 0.0208(18) Uani 1 1 d . . .
C46 C 1.3193(9) 0.6196(6) 0.3310(4) 0.0201(18) Uani 1 1 d . . .
H46A H 1.3533 0.5553 0.3240 0.024 Uiso 1 1 calc R . .
C47 C 1.1983(8) 0.6767(6) 0.3159(4) 0.0173(17) Uani 1 1 d . . .
C48 C 1.1210(8) 0.6438(6) 0.2870(4) 0.0187(17) Uani 1 1 d . . .
C49 C 1.1609(9) 0.5536(6) 0.2707(4) 0.0207(18) Uani 1 1 d . . .
H49A H 1.2418 0.5090 0.2793 0.025 Uiso 1 1 calc R . .
C50 C 1.0841(9) 0.5276(6) 0.2419(4) 0.0201(18) Uani 1 1 d . . .
C51 C 0.9646(10) 0.5957(7) 0.2320(4) 0.0246(19) Uani 1 1 d . . .
H51A H 0.9081 0.5812 0.2130 0.029 Uiso 1 1 calc R . .
C52 C 0.9280(9) 0.6850(7) 0.2501(4) 0.0219(18) Uani 1 1 d . . .
H52A H 0.8462 0.7302 0.2434 0.026 Uiso 1 1 calc R . .
C53 C 1.5254(9) 0.5992(6) 0.3719(4) 0.0209(18) Uani 1 1 d . . .
C54 C 1.5334(12) 0.6091(9) 0.4348(5) 0.044(3) Uani 1 1 d . . .
H54A H 1.5164 0.6759 0.4375 0.065 Uiso 1 1 calc R . .
H54B H 1.6196 0.5710 0.4448 0.065 Uiso 1 1 calc R . .
H54C H 1.4696 0.5867 0.4624 0.065 Uiso 1 1 calc R . .
C55 C 1.5589(11) 0.4936(7) 0.3691(6) 0.037(3) Uani 1 1 d . . .
H55A H 1.6482 0.4596 0.3760 0.056 Uiso 1 1 calc R . .
H55B H 1.5482 0.4853 0.3299 0.056 Uiso 1 1 calc R . .
H55C H 1.5017 0.4683 0.3995 0.056 Uiso 1 1 calc R . .
C56 C 1.6222(11) 0.6351(9) 0.3288(6) 0.046(3) Uani 1 1 d . . .
H56A H 1.6011 0.7029 0.3300 0.069 Uiso 1 1 calc R . .
H56B H 1.6199 0.6254 0.2886 0.069 Uiso 1 1 calc R . .
H56C H 1.7084 0.6002 0.3397 0.069 Uiso 1 1 calc R . .
C57 C 1.1225(11) 0.4311(7) 0.2230(4) 0.030(2) Uani 1 1 d . . .
C58 C 1.2566(11) 0.3678(7) 0.2361(5) 0.037(2) Uani 1 1 d . . .
H58A H 1.3191 0.3980 0.2151 0.055 Uiso 1 1 calc R . .
H58B H 1.2776 0.3062 0.2227 0.055 Uiso 1 1 calc R . .
H58C H 1.2594 0.3583 0.2788 0.055 Uiso 1 1 calc R . .
C59 C 1.1208(12) 0.4418(8) 0.1558(5) 0.038(3) Uani 1 1 d . . .
H59A H 1.1869 0.4683 0.1344 0.057 Uiso 1 1 calc R . .
H59B H 1.0363 0.4846 0.1460 0.057 Uiso 1 1 calc R . .
H59C H 1.1382 0.3795 0.1443 0.057 Uiso 1 1 calc R . .
C60 C 1.0262(12) 0.3827(8) 0.2566(5) 0.036(3) Uani 1 1 d . . .
H60A H 1.0299 0.3738 0.2992 0.054 Uiso 1 1 calc R . .
H60B H 1.0480 0.3209 0.2435 0.054 Uiso 1 1 calc R . .
H60C H 0.9393 0.4227 0.2485 0.054 Uiso 1 1 calc R . .
Au2 Au 0.24745(4) 0.04666(3) 0.316578(19) 0.02982(11) Uani 1 1 d . . .
Cl21 Cl 0.2894(3) -0.02813(18) 0.40916(12) 0.0348(6) Uani 1 1 d . . .
Cl22 Cl 0.2131(3) 0.11656(19) 0.22276(13) 0.0363(6) Uani 1 1 d . . .
Au3 Au 0.0000 0.5000 0.5000 0.02029(11) Uani 1 2 d S . .
Cl31 Cl 0.1586(2) 0.56578(17) 0.47178(11) 0.0306(5) Uani 1 1 d . . .
Cl32 Cl 0.0093(3) 0.48063(16) 0.40433(10) 0.0304(5) Uani 1 1 d . . .
Au4 Au 0.5000 0.5000 0.0000 0.0872(4) Uani 1 2 d S . .
Cl41 Cl 0.4830(7) 0.4062(4) 0.0859(2) 0.1044(18) Uani 1 1 d U . .
Cl42 Cl 0.7079(6) 0.4468(4) 0.0065(3) 0.1031(19) Uani 1 1 d . . .
Au5 Au 0.61836(7) 0.87503(6) 0.08346(3) 0.02724(17) Uani 0.50 1 d P A 1
Cl51 Cl 0.4408(5) 0.9726(3) 0.0405(2) 0.0316(10) Uani 0.50 1 d P . 1
Cl52 Cl 0.4930(6) 0.8156(4) 0.1590(3) 0.0324(14) Uani 0.50 1 d P A 1
Cl53 Cl 0.7962(7) 0.7781(5) 0.1242(3) 0.0507(16) Uani 0.50 1 d P A 1
Cl54 Cl 0.7438(6) 0.9310(5) 0.0076(3) 0.0470(15) Uani 0.50 1 d P . 1
Au6 Au 0.65529(9) 0.80511(7) 0.13812(5) 0.0505(3) Uani 0.50 1 d P B 2
Cl61 Cl 0.4714(7) 0.7890(5) 0.1866(4) 0.0501(17) Uani 0.50 1 d P B 2
Cl62 Cl 0.8398(7) 0.8174(7) 0.0882(5) 0.078(3) Uani 0.50 1 d P B 2
C101 C 0.921(7) 0.243(5) 0.142(2) 0.055(7) Uani 0.526(19) 1 d PU C 1
H10A H 0.9453 0.3006 0.1321 0.082 Uiso 0.526(19) 1 calc PR C 1
H10B H 0.8969 0.2305 0.1076 0.082 Uiso 0.526(19) 1 calc PR C 1
H10C H 0.9948 0.1892 0.1556 0.082 Uiso 0.526(19) 1 calc PR C 1
C102 C 0.811(4) 0.257(3) 0.1909(15) 0.058(5) Uani 0.526(19) 1 d PU C 1
H10D H 0.8317 0.2787 0.2241 0.070 Uiso 0.526(19) 1 calc PR C 1
H10E H 0.7344 0.3076 0.1763 0.070 Uiso 0.526(19) 1 calc PR C 1
O103 O 0.786(2) 0.1789(16) 0.2099(10) 0.052(4) Uani 0.526(19) 1 d PU C 1
C104 C 0.684(3) 0.184(2) 0.2572(14) 0.063(5) Uani 0.526(19) 1 d PU C 1
H10F H 0.6942 0.2179 0.2869 0.076 Uiso 0.526(19) 1 calc PR C 1
H10G H 0.6913 0.1185 0.2765 0.076 Uiso 0.526(19) 1 calc PR C 1
C105 C 0.558(3) 0.230(2) 0.2401(15) 0.068(6) Uani 0.526(19) 1 d PU C 1
H10H H 0.4966 0.2053 0.2678 0.103 Uiso 0.526(19) 1 calc PR C 1
H10I H 0.5586 0.2189 0.2000 0.103 Uiso 0.526(19) 1 calc PR C 1
H10J H 0.5323 0.2988 0.2408 0.103 Uiso 0.526(19) 1 calc PR C 1
C111 C 0.925(8) 0.248(6) 0.128(2) 0.057(8) Uani 0.474(19) 1 d PU C 2
H11A H 0.9224 0.2959 0.0931 0.085 Uiso 0.474(19) 1 calc PR C 2
H11B H 0.9374 0.1869 0.1159 0.085 Uiso 0.474(19) 1 calc PR C 2
H11C H 0.9959 0.2410 0.1490 0.085 Uiso 0.474(19) 1 calc PR C 2
C112 C 0.803(4) 0.277(3) 0.1678(17) 0.057(5) Uani 0.474(19) 1 d PU C 2
H11D H 0.8182 0.2933 0.2042 0.068 Uiso 0.474(19) 1 calc PR C 2
H11E H 0.7420 0.3348 0.1480 0.068 Uiso 0.474(19) 1 calc PR C 2
O113 O 0.747(2) 0.2042(17) 0.1835(12) 0.060(4) Uani 0.474(19) 1 d PU C 2
C114 C 0.620(3) 0.234(3) 0.2112(16) 0.062(5) Uani 0.474(19) 1 d PU C 2
H11F H 0.5712 0.2010 0.1985 0.075 Uiso 0.474(19) 1 calc PR C 2
H11G H 0.5797 0.3033 0.1986 0.075 Uiso 0.474(19) 1 calc PR C 2
C115 C 0.612(4) 0.216(3) 0.2758(17) 0.079(7) Uani 0.474(19) 1 d PU C 2
H11H H 0.5244 0.2491 0.2935 0.118 Uiso 0.474(19) 1 calc PR C 2
H11I H 0.6720 0.2400 0.2881 0.118 Uiso 0.474(19) 1 calc PR C 2
H11J H 0.6351 0.1480 0.2890 0.118 Uiso 0.474(19) 1 calc PR C 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 N8 2.049(8) . ?
Ru1 N9 2.051(7) . ?
Ru1 N10 2.053(8) . ?
Ru1 N6 2.054(7) . ?
Ru1 N7 2.058(7) . ?
Ru1 N1 2.063(8) . ?
Au1 N4 2.036(8) . ?
Au1 N3 2.054(10) . ?
Au1 Cl2 2.245(3) . ?
Au1 Cl1 2.251(3) . ?
N1 C2 1.350(12) . ?
N1 C1 1.357(12) . ?
N2 C5 1.343(12) . ?
N2 C13 1.350(13) . ?
N3 C17 1.312(15) . ?
N3 C18 1.367(12) . ?
N4 C19 1.317(14) . ?
N4 C20 1.348(15) . ?
N5 C24 1.315(12) . ?
N5 C6 1.325(13) . ?
N6 C25 1.325(11) . ?
N6 C29 1.360(11) . ?
N7 C34 1.328(11) . ?
N7 C30 1.350(12) . ?
N8 C47 1.358(11) . ?
N8 C43 1.360(11) . ?
N9 C48 1.345(12) . ?
N9 C52 1.356(12) . ?
N10 C9 1.337(12) . ?
N10 C10 1.354(12) . ?
C1 C11 1.393(13) . ?
C1 C10 1.444(12) . ?
C2 C3 1.364(14) . ?
C2 H2B 0.9500 . ?
C3 C4 1.367(16) . ?
C3 H3A 0.9500 . ?
C4 C11 1.410(13) . ?
C4 H4A 0.9500 . ?
C5 C6 1.418(13) . ?
C5 C11 1.443(14) . ?
C6 C12 1.465(12) . ?
C7 C12 1.383(13) . ?
C7 C8 1.384(13) . ?
C7 H7A 0.9500 . ?
C8 C9 1.368(14) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C10 C12 1.376(13) . ?
C13 C24 1.413(14) . ?
C13 C14 1.461(13) . ?
C14 C15 1.382(15) . ?
C14 C18 1.422(16) . ?
C15 C16 1.376(14) . ?
C15 H15A 0.9500 . ?
C16 C17 1.376(18) . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C18 C19 1.444(15) . ?
C19 C23 1.380(13) . ?
C20 C21 1.396(15) . ?
C20 H20A 0.9500 . ?
C21 C22 1.367(16) . ?
C21 H21A 0.9500 . ?
C22 C23 1.397(15) . ?
C22 H22A 0.9500 . ?
C23 C24 1.453(14) . ?
C25 C26 1.384(12) . ?
C25 H25A 0.9500 . ?
C26 C27 1.386(12) . ?
C26 H26A 0.9500 . ?
C27 C28 1.394(12) . ?
C27 C35 1.515(12) . ?
C28 C29 1.368(13) . ?
C28 H28A 0.9500 . ?
C29 C30 1.487(12) . ?
C30 C31 1.386(12) . ?
C31 C32 1.405(12) . ?
C31 H31A 0.9500 . ?
C32 C33 1.383(13) . ?
C32 C39 1.526(12) . ?
C33 C34 1.397(12) . ?
C33 H33A 0.9500 . ?
C34 H34A 0.9500 . ?
C35 C37 1.522(12) . ?
C35 C38 1.528(14) . ?
C35 C36 1.545(13) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C42 1.520(12) . ?
C39 C41 1.528(12) . ?
C39 C40 1.540(13) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.363(13) . ?
C43 H43A 0.9500 . ?
C44 C45 1.410(13) . ?
C44 H44A 0.9500 . ?
C45 C46 1.399(13) . ?
C45 C53 1.517(12) . ?
C46 C47 1.396(13) . ?
C46 H46A 0.9500 . ?
C47 C48 1.466(12) . ?
C48 C49 1.390(12) . ?
C49 C50 1.392(13) . ?
C49 H49A 0.9500 . ?
C50 C51 1.399(14) . ?
C50 C57 1.509(12) . ?
C51 C52 1.399(13) . ?
C51 H51A 0.9500 . ?
C52 H52A 0.9500 . ?
C53 C56 1.512(14) . ?
C53 C54 1.524(14) . ?
C53 C55 1.529(13) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.521(15) . ?
C57 C60 1.534(15) . ?
C57 C59 1.541(14) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
Au2 Cl22 2.270(3) . ?
Au2 Cl21 2.279(3) . ?
Au3 Cl32 2.280(2) . ?
Au3 Cl32 2.280(2) 2_566 ?
Au3 Cl31 2.286(2) . ?
Au3 Cl31 2.286(2) 2_566 ?
Au4 Cl42 2.209(6) 2_665 ?
Au4 Cl42 2.209(6) . ?
Au4 Cl41 2.235(6) 2_665 ?
Au4 Cl41 2.235(6) . ?
Au5 Cl53 2.266(6) . ?
Au5 Cl54 2.269(5) . ?
Au5 Cl52 2.288(6) . ?
Au5 Cl51 2.290(5) . ?
Cl51 Cl51 2.288(10) 2_675 ?
Cl51 Cl54 2.404(9) 2_675 ?
Cl54 Cl51 2.404(9) 2_675 ?
Au6 Cl62 2.228(9) . ?
Au6 Cl61 2.231(9) . ?
C101 C102 1.49(6) . ?
C101 H10A 0.9800 . ?
C101 H10B 0.9800 . ?
C101 H10C 0.9800 . ?
C102 O103 1.31(4) . ?
C102 H10D 0.9900 . ?
C102 H10E 0.9900 . ?
O103 C104 1.42(4) . ?
C104 C105 1.44(4) . ?
C104 H10F 0.9900 . ?
C104 H10G 0.9900 . ?
C105 H10H 0.9800 . ?
C105 H10I 0.9800 . ?
C105 H10J 0.9800 . ?
C111 C112 1.47(7) . ?
C111 H11A 0.9800 . ?
C111 H11B 0.9800 . ?
C111 H11C 0.9800 . ?
C112 O113 1.43(4) . ?
C112 H11D 0.9900 . ?
C112 H11E 0.9900 . ?
O113 C114 1.40(4) . ?
C114 C115 1.46(5) . ?
C114 H11F 0.9900 . ?
C114 H11G 0.9900 . ?
C115 H11H 0.9800 . ?
C115 H11I 0.9800 . ?
C115 H11J 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
N8 Ru1 N9 78.1(3) . . ?
N8 Ru1 N10 172.8(3) . . ?
N9 Ru1 N10 95.5(3) . . ?
N8 Ru1 N6 92.0(3) . . ?
N9 Ru1 N6 96.6(3) . . ?
N10 Ru1 N6 92.0(3) . . ?
N8 Ru1 N7 97.7(3) . . ?
N9 Ru1 N7 173.9(3) . . ?
N10 Ru1 N7 88.9(3) . . ?
N6 Ru1 N7 79.0(3) . . ?
N8 Ru1 N1 97.2(3) . . ?
N9 Ru1 N1 91.6(3) . . ?
N10 Ru1 N1 79.5(3) . . ?
N6 Ru1 N1 168.8(3) . . ?
N7 Ru1 N1 93.4(3) . . ?
N4 Au1 N3 81.0(3) . . ?
N4 Au1 Cl2 175.4(3) . . ?
N3 Au1 Cl2 94.4(2) . . ?
N4 Au1 Cl1 95.6(3) . . ?
N3 Au1 Cl1 176.6(2) . . ?
Cl2 Au1 Cl1 88.98(12) . . ?
C2 N1 C1 117.3(8) . . ?
C2 N1 Ru1 128.6(7) . . ?
C1 N1 Ru1 113.9(6) . . ?
C5 N2 C13 115.8(8) . . ?
C17 N3 C18 120.3(10) . . ?
C17 N3 Au1 128.8(8) . . ?
C18 N3 Au1 110.9(7) . . ?
C19 N4 C20 119.2(9) . . ?
C19 N4 Au1 114.5(7) . . ?
C20 N4 Au1 126.3(7) . . ?
C24 N5 C6 118.0(9) . . ?
C25 N6 C29 117.6(8) . . ?
C25 N6 Ru1 126.3(6) . . ?
C29 N6 Ru1 115.6(6) . . ?
C34 N7 C30 117.5(7) . . ?
C34 N7 Ru1 126.5(6) . . ?
C30 N7 Ru1 115.9(6) . . ?
C47 N8 C43 116.8(8) . . ?
C47 N8 Ru1 116.2(6) . . ?
C43 N8 Ru1 127.0(6) . . ?
C48 N9 C52 118.6(8) . . ?
C48 N9 Ru1 116.8(6) . . ?
C52 N9 Ru1 124.6(6) . . ?
C9 N10 C10 117.8(8) . . ?
C9 N10 Ru1 127.8(6) . . ?
C10 N10 Ru1 114.4(6) . . ?
N1 C1 C11 123.8(8) . . ?
N1 C1 C10 116.0(8) . . ?
C11 C1 C10 120.3(9) . . ?
N1 C2 C3 122.0(9) . . ?
N1 C2 H2B 119.0 . . ?
C3 C2 H2B 119.0 . . ?
C2 C3 C4 121.5(9) . . ?
C2 C3 H3A 119.3 . . ?
C4 C3 H3A 119.3 . . ?
C3 C4 C11 118.4(9) . . ?
C3 C4 H4A 120.8 . . ?
C11 C4 H4A 120.8 . . ?
N2 C5 C6 121.2(9) . . ?
N2 C5 C11 118.5(8) . . ?
C6 C5 C11 120.3(8) . . ?
N5 C6 C5 121.7(8) . . ?
N5 C6 C12 118.3(8) . . ?
C5 C6 C12 119.9(9) . . ?
C12 C7 C8 117.9(9) . . ?
C12 C7 H7A 121.0 . . ?
C8 C7 H7A 121.0 . . ?
C9 C8 C7 119.6(9) . . ?
C9 C8 H8A 120.2 . . ?
C7 C8 H8A 120.2 . . ?
N10 C9 C8 122.9(9) . . ?
N10 C9 H9A 118.5 . . ?
C8 C9 H9A 118.5 . . ?
N10 C10 C12 122.0(8) . . ?
N10 C10 C1 116.0(8) . . ?
C12 C10 C1 122.0(8) . . ?
C1 C11 C4 117.1(9) . . ?
C1 C11 C5 119.1(8) . . ?
C4 C11 C5 123.7(9) . . ?
C10 C12 C7 119.7(8) . . ?
C10 C12 C6 118.2(8) . . ?
C7 C12 C6 122.1(9) . . ?
N2 C13 C24 122.3(8) . . ?
N2 C13 C14 116.8(9) . . ?
C24 C13 C14 121.0(9) . . ?
C15 C14 C18 118.5(9) . . ?
C15 C14 C13 125.1(11) . . ?
C18 C14 C13 116.4(9) . . ?
C16 C15 C14 119.5(11) . . ?
C16 C15 H15A 120.3 . . ?
C14 C15 H15A 120.3 . . ?
C17 C16 C15 119.7(11) . . ?
C17 C16 H16A 120.2 . . ?
C15 C16 H16A 120.2 . . ?
N3 C17 C16 122.3(10) . . ?
N3 C17 H17A 118.8 . . ?
C16 C17 H17A 118.8 . . ?
N3 C18 C14 119.7(9) . . ?
N3 C18 C19 117.7(10) . . ?
C14 C18 C19 122.5(9) . . ?
N4 C19 C23 124.0(10) . . ?
N4 C19 C18 115.9(9) . . ?
C23 C19 C18 120.1(10) . . ?
N4 C20 C21 120.5(10) . . ?
N4 C20 H20A 119.7 . . ?
C21 C20 H20A 119.7 . . ?
C22 C21 C20 119.6(11) . . ?
C22 C21 H21A 120.2 . . ?
C20 C21 H21A 120.2 . . ?
C21 C22 C23 119.6(10) . . ?
C21 C22 H22A 120.2 . . ?
C23 C22 H22A 120.2 . . ?
C19 C23 C22 117.0(10) . . ?
C19 C23 C24 119.6(9) . . ?
C22 C23 C24 123.4(9) . . ?
N5 C24 C13 121.0(9) . . ?
N5 C24 C23 118.5(9) . . ?
C13 C24 C23 120.4(8) . . ?
N6 C25 C26 123.6(8) . . ?
N6 C25 H25A 118.2 . . ?
C26 C25 H25A 118.2 . . ?
C25 C26 C27 119.8(8) . . ?
C25 C26 H26A 120.1 . . ?
C27 C26 H26A 120.1 . . ?
C26 C27 C28 116.2(8) . . ?
C26 C27 C35 123.5(8) . . ?
C28 C27 C35 120.3(8) . . ?
C29 C28 C27 121.5(8) . . ?
C29 C28 H28A 119.3 . . ?
C27 C28 H28A 119.3 . . ?
N6 C29 C28 121.5(8) . . ?
N6 C29 C30 114.5(8) . . ?
C28 C29 C30 124.0(8) . . ?
N7 C30 C31 122.9(8) . . ?
N7 C30 C29 114.5(8) . . ?
C31 C30 C29 122.5(8) . . ?
C30 C31 C32 119.9(8) . . ?
C30 C31 H31A 120.0 . . ?
C32 C31 H31A 120.0 . . ?
C33 C32 C31 116.2(8) . . ?
C33 C32 C39 122.3(8) . . ?
C31 C32 C39 121.4(8) . . ?
C32 C33 C34 120.6(8) . . ?
C32 C33 H33A 119.7 . . ?
C34 C33 H33A 119.7 . . ?
N7 C34 C33 122.8(8) . . ?
N7 C34 H34A 118.6 . . ?
C33 C34 H34A 118.6 . . ?
C27 C35 C37 112.2(8) . . ?
C27 C35 C38 107.1(8) . . ?
C37 C35 C38 108.0(8) . . ?
C27 C35 C36 109.5(7) . . ?
C37 C35 C36 109.6(8) . . ?
C38 C35 C36 110.4(8) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C42 C39 C32 111.7(8) . . ?
C42 C39 C41 108.9(7) . . ?
C32 C39 C41 110.1(7) . . ?
C42 C39 C40 109.1(8) . . ?
C32 C39 C40 107.2(7) . . ?
C41 C39 C40 109.8(8) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C39 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
N8 C43 C44 123.5(8) . . ?
N8 C43 H43A 118.3 . . ?
C44 C43 H43A 118.3 . . ?
C43 C44 C45 120.9(9) . . ?
C43 C44 H44A 119.5 . . ?
C45 C44 H44A 119.5 . . ?
C46 C45 C44 115.6(8) . . ?
C46 C45 C53 123.9(8) . . ?
C44 C45 C53 120.5(8) . . ?
C47 C46 C45 120.8(8) . . ?
C47 C46 H46A 119.6 . . ?
C45 C46 H46A 119.6 . . ?
N8 C47 C46 122.3(8) . . ?
N8 C47 C48 114.5(8) . . ?
C46 C47 C48 123.1(8) . . ?
N9 C48 C49 121.7(8) . . ?
N9 C48 C47 114.3(7) . . ?
C49 C48 C47 124.0(8) . . ?
C48 C49 C50 121.1(9) . . ?
C48 C49 H49A 119.5 . . ?
C50 C49 H49A 119.5 . . ?
C49 C50 C51 116.6(8) . . ?
C49 C50 C57 123.5(9) . . ?
C51 C50 C57 119.9(9) . . ?
C50 C51 C52 120.1(9) . . ?
C50 C51 H51A 119.9 . . ?
C52 C51 H51A 119.9 . . ?
N9 C52 C51 121.8(9) . . ?
N9 C52 H52A 119.1 . . ?
C51 C52 H52A 119.1 . . ?
C56 C53 C45 109.6(8) . . ?
C56 C53 C54 109.8(9) . . ?
C45 C53 C54 109.9(8) . . ?
C56 C53 C55 108.8(9) . . ?
C45 C53 C55 111.1(8) . . ?
C54 C53 C55 107.5(9) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C50 C57 C58 112.3(8) . . ?
C50 C57 C60 108.6(8) . . ?
C58 C57 C60 108.6(9) . . ?
C50 C57 C59 109.8(8) . . ?
C58 C57 C59 107.9(9) . . ?
C60 C57 C59 109.7(9) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
Cl22 Au2 Cl21 177.63(9) . . ?
Cl32 Au3 Cl32 180.000(1) . 2_566 ?
Cl32 Au3 Cl31 90.06(9) . . ?
Cl32 Au3 Cl31 89.94(9) 2_566 . ?
Cl32 Au3 Cl31 89.94(9) . 2_566 ?
Cl32 Au3 Cl31 90.06(9) 2_566 2_566 ?
Cl31 Au3 Cl31 180.00(10) . 2_566 ?
Cl42 Au4 Cl42 180.0(3) 2_665 . ?
Cl42 Au4 Cl41 85.4(3) 2_665 2_665 ?
Cl42 Au4 Cl41 94.6(3) . 2_665 ?
Cl42 Au4 Cl41 94.6(3) 2_665 . ?
Cl42 Au4 Cl41 85.4(3) . . ?
Cl41 Au4 Cl41 180.0(4) 2_665 . ?
Cl53 Au5 Cl54 89.9(3) . . ?
Cl53 Au5 Cl52 89.9(3) . . ?
Cl54 Au5 Cl52 178.7(2) . . ?
Cl53 Au5 Cl51 178.9(2) . . ?
Cl54 Au5 Cl51 89.2(2) . . ?
Cl52 Au5 Cl51 91.0(2) . . ?
Cl51 Cl51 Au5 93.6(3) 2_675 . ?
Cl51 Cl51 Cl54 86.0(3) 2_675 2_675 ?
Au5 Cl51 Cl54 177.1(3) . 2_675 ?
Au5 Cl54 Cl51 91.1(2) . 2_675 ?
Cl62 Au6 Cl61 178.2(3) . . ?
O103 C102 C101 111(4) . . ?
O103 C102 H10D 109.5 . . ?
C101 C102 H10D 109.5 . . ?
O103 C102 H10E 109.5 . . ?
C101 C102 H10E 109.5 . . ?
H10D C102 H10E 107.0 . . ?
C102 O103 C104 116(2) . . ?
O103 C104 C105 114(3) . . ?
O103 C104 H10F 108.6 . . ?
C105 C104 H10F 108.6 . . ?
O103 C104 H10G 108.6 . . ?
C105 C104 H10G 108.6 . . ?
H10F C104 H10G 107.6 . . ?
C112 C111 H11A 109.5 . . ?
C112 C111 H11B 109.5 . . ?
H11A C111 H11B 109.5 . . ?
C112 C111 H11C 109.5 . . ?
H11A C111 H11C 109.5 . . ?
H11B C111 H11C 109.5 . . ?
O113 C112 C111 112(4) . . ?
O113 C112 H11D 109.3 . . ?
C111 C112 H11D 109.3 . . ?
O113 C112 H11E 109.3 . . ?
C111 C112 H11E 109.3 . . ?
H11D C112 H11E 107.9 . . ?
C114 O113 C112 114(3) . . ?
O113 C114 C115 112(3) . . ?
O113 C114 H11F 109.2 . . ?
C115 C114 H11F 109.2 . . ?
O113 C114 H11G 109.2 . . ?
C115 C114 H11G 109.2 . . ?
H11F C114 H11G 107.9 . . ?
C114 C115 H11H 109.5 . . ?
C114 C115 H11I 109.5 . . ?
H11H C115 H11I 109.5 . . ?
C114 C115 H11J 109.5 . . ?
H11H C115 H11J 109.5 . . ?
H11I C115 H11J 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
N8 Ru1 N1 C2 -8.0(8) . . . . ?
N9 Ru1 N1 C2 -86.2(8) . . . . ?
N10 Ru1 N1 C2 178.5(8) . . . . ?
N6 Ru1 N1 C2 137.0(14) . . . . ?
N7 Ru1 N1 C2 90.2(8) . . . . ?
N8 Ru1 N1 C1 177.7(6) . . . . ?
N9 Ru1 N1 C1 99.5(6) . . . . ?
N10 Ru1 N1 C1 4.2(6) . . . . ?
N6 Ru1 N1 C1 -37.3(18) . . . . ?
N7 Ru1 N1 C1 -84.1(6) . . . . ?
N4 Au1 N3 C17 -178.4(9) . . . . ?
Cl2 Au1 N3 C17 1.3(9) . . . . ?
N4 Au1 N3 C18 1.4(6) . . . . ?
Cl2 Au1 N3 C18 -179.0(6) . . . . ?
N3 Au1 N4 C19 -1.6(7) . . . . ?
Cl1 Au1 N4 C19 178.4(7) . . . . ?
N3 Au1 N4 C20 179.6(10) . . . . ?
Cl1 Au1 N4 C20 -0.5(9) . . . . ?
N8 Ru1 N6 C25 -87.3(7) . . . . ?
N9 Ru1 N6 C25 -9.1(8) . . . . ?
N10 Ru1 N6 C25 86.7(7) . . . . ?
N7 Ru1 N6 C25 175.2(8) . . . . ?
N1 Ru1 N6 C25 127.3(14) . . . . ?
N8 Ru1 N6 C29 101.9(6) . . . . ?
N9 Ru1 N6 C29 -179.8(6) . . . . ?
N10 Ru1 N6 C29 -84.1(6) . . . . ?
N7 Ru1 N6 C29 4.4(6) . . . . ?
N1 Ru1 N6 C29 -43.4(18) . . . . ?
N8 Ru1 N7 C34 86.1(8) . . . . ?
N10 Ru1 N7 C34 -91.1(8) . . . . ?
N6 Ru1 N7 C34 176.7(8) . . . . ?
N1 Ru1 N7 C34 -11.7(8) . . . . ?
N8 Ru1 N7 C30 -90.9(7) . . . . ?
N10 Ru1 N7 C30 91.9(7) . . . . ?
N6 Ru1 N7 C30 -0.4(6) . . . . ?
N1 Ru1 N7 C30 171.3(7) . . . . ?
N9 Ru1 N8 C47 -3.0(6) . . . . ?
N6 Ru1 N8 C47 93.3(6) . . . . ?
N7 Ru1 N8 C47 172.5(6) . . . . ?
N1 Ru1 N8 C47 -93.1(6) . . . . ?
N9 Ru1 N8 C43 178.8(8) . . . . ?
N6 Ru1 N8 C43 -84.9(7) . . . . ?
N7 Ru1 N8 C43 -5.7(8) . . . . ?
N1 Ru1 N8 C43 88.7(7) . . . . ?
N8 Ru1 N9 C48 1.7(6) . . . . ?
N10 Ru1 N9 C48 178.3(6) . . . . ?
N6 Ru1 N9 C48 -89.0(6) . . . . ?
N1 Ru1 N9 C48 98.7(6) . . . . ?
N8 Ru1 N9 C52 -178.3(8) . . . . ?
N10 Ru1 N9 C52 -1.6(7) . . . . ?
N6 Ru1 N9 C52 91.1(7) . . . . ?
N1 Ru1 N9 C52 -81.2(7) . . . . ?
N9 Ru1 N10 C9 85.5(8) . . . . ?
N6 Ru1 N10 C9 -11.3(8) . . . . ?
N7 Ru1 N10 C9 -90.3(8) . . . . ?
N1 Ru1 N10 C9 176.1(8) . . . . ?
N9 Ru1 N10 C10 -94.1(6) . . . . ?
N6 Ru1 N10 C10 169.0(6) . . . . ?
N7 Ru1 N10 C10 90.1(6) . . . . ?
N1 Ru1 N10 C10 -3.5(6) . . . . ?
C2 N1 C1 C11 1.1(13) . . . . ?
Ru1 N1 C1 C11 176.1(7) . . . . ?
C2 N1 C1 C10 -179.1(8) . . . . ?
Ru1 N1 C1 C10 -4.1(10) . . . . ?
C1 N1 C2 C3 -0.2(13) . . . . ?
Ru1 N1 C2 C3 -174.3(7) . . . . ?
N1 C2 C3 C4 -1.0(15) . . . . ?
C2 C3 C4 C11 1.2(15) . . . . ?
C13 N2 C5 C6 2.1(13) . . . . ?
C13 N2 C5 C11 -177.2(8) . . . . ?
C24 N5 C6 C5 0.6(14) . . . . ?
C24 N5 C6 C12 177.9(8) . . . . ?
N2 C5 C6 N5 -1.3(14) . . . . ?
C11 C5 C6 N5 177.9(9) . . . . ?
N2 C5 C6 C12 -178.6(8) . . . . ?
C11 C5 C6 C12 0.6(14) . . . . ?
C12 C7 C8 C9 2.1(15) . . . . ?
C10 N10 C9 C8 0.5(14) . . . . ?
Ru1 N10 C9 C8 -179.1(7) . . . . ?
C7 C8 C9 N10 -2.7(16) . . . . ?
C9 N10 C10 C12 2.3(13) . . . . ?
Ru1 N10 C10 C12 -178.0(7) . . . . ?
C9 N10 C10 C1 -177.3(8) . . . . ?
Ru1 N10 C10 C1 2.4(10) . . . . ?
N1 C1 C10 N10 1.2(12) . . . . ?
C11 C1 C10 N10 -179.1(8) . . . . ?
N1 C1 C10 C12 -178.4(8) . . . . ?
C11 C1 C10 C12 1.4(13) . . . . ?
N1 C1 C11 C4 -0.9(13) . . . . ?
C10 C1 C11 C4 179.4(8) . . . . ?
N1 C1 C11 C5 -178.0(8) . . . . ?
C10 C1 C11 C5 2.3(13) . . . . ?
C3 C4 C11 C1 -0.3(14) . . . . ?
C3 C4 C11 C5 176.7(9) . . . . ?
N2 C5 C11 C1 176.1(8) . . . . ?
C6 C5 C11 C1 -3.2(13) . . . . ?
N2 C5 C11 C4 -0.9(14) . . . . ?
C6 C5 C11 C4 179.9(9) . . . . ?
N10 C10 C12 C7 -2.9(14) . . . . ?
C1 C10 C12 C7 176.7(9) . . . . ?
N10 C10 C12 C6 176.5(8) . . . . ?
C1 C10 C12 C6 -3.9(13) . . . . ?
C8 C7 C12 C10 0.6(14) . . . . ?
C8 C7 C12 C6 -178.8(9) . . . . ?
N5 C6 C12 C10 -174.5(8) . . . . ?
C5 C6 C12 C10 2.9(13) . . . . ?
N5 C6 C12 C7 4.9(14) . . . . ?
C5 C6 C12 C7 -177.7(9) . . . . ?
C5 N2 C13 C24 -2.2(13) . . . . ?
C5 N2 C13 C14 177.1(8) . . . . ?
N2 C13 C14 C15 -0.8(15) . . . . ?
C24 C13 C14 C15 178.5(10) . . . . ?
N2 C13 C14 C18 -179.1(8) . . . . ?
C24 C13 C14 C18 0.2(14) . . . . ?
C18 C14 C15 C16 0.3(15) . . . . ?
C13 C14 C15 C16 -178.0(10) . . . . ?
C14 C15 C16 C17 -1.2(16) . . . . ?
C18 N3 C17 C16 0.0(16) . . . . ?
Au1 N3 C17 C16 179.7(8) . . . . ?
C15 C16 C17 N3 1.1(17) . . . . ?
C17 N3 C18 C14 -0.9(14) . . . . ?
Au1 N3 C18 C14 179.4(7) . . . . ?
C17 N3 C18 C19 178.7(9) . . . . ?
Au1 N3 C18 C19 -1.1(11) . . . . ?
C15 C14 C18 N3 0.7(14) . . . . ?
C13 C14 C18 N3 179.2(8) . . . . ?
C15 C14 C18 C19 -178.8(9) . . . . ?
C13 C14 C18 C19 -0.4(14) . . . . ?
C20 N4 C19 C23 -1.0(15) . . . . ?
Au1 N4 C19 C23 -179.9(7) . . . . ?
C20 N4 C19 C18 -179.6(9) . . . . ?
Au1 N4 C19 C18 1.5(11) . . . . ?
N3 C18 C19 N4 -0.2(13) . . . . ?
C14 C18 C19 N4 179.3(9) . . . . ?
N3 C18 C19 C23 -178.9(9) . . . . ?
C14 C18 C19 C23 0.6(14) . . . . ?
C19 N4 C20 C21 0.7(17) . . . . ?
Au1 N4 C20 C21 179.6(9) . . . . ?
N4 C20 C21 C22 -0.5(19) . . . . ?
C20 C21 C22 C23 0.4(18) . . . . ?
N4 C19 C23 C22 0.9(15) . . . . ?
C18 C19 C23 C22 179.4(9) . . . . ?
N4 C19 C23 C24 -179.2(9) . . . . ?
C18 C19 C23 C24 -0.6(14) . . . . ?
C21 C22 C23 C19 -0.6(16) . . . . ?
C21 C22 C23 C24 179.5(10) . . . . ?
C6 N5 C24 C13 -0.7(14) . . . . ?
C6 N5 C24 C23 -178.2(8) . . . . ?
N2 C13 C24 N5 1.5(15) . . . . ?
C14 C13 C24 N5 -177.7(9) . . . . ?
N2 C13 C24 C23 179.0(9) . . . . ?
C14 C13 C24 C23 -0.2(14) . . . . ?
C19 C23 C24 N5 178.0(9) . . . . ?
C22 C23 C24 N5 -2.1(15) . . . . ?
C19 C23 C24 C13 0.4(14) . . . . ?
C22 C23 C24 C13 -179.7(10) . . . . ?
C29 N6 C25 C26 1.4(13) . . . . ?
Ru1 N6 C25 C26 -169.2(7) . . . . ?
N6 C25 C26 C27 -0.9(14) . . . . ?
C25 C26 C27 C28 0.0(12) . . . . ?
C25 C26 C27 C35 -179.3(8) . . . . ?
C26 C27 C28 C29 0.2(13) . . . . ?
C35 C27 C28 C29 179.6(8) . . . . ?
C25 N6 C29 C28 -1.2(13) . . . . ?
Ru1 N6 C29 C28 170.4(7) . . . . ?
C25 N6 C29 C30 -179.0(8) . . . . ?
Ru1 N6 C29 C30 -7.4(10) . . . . ?
C27 C28 C29 N6 0.4(13) . . . . ?
C27 C28 C29 C30 178.0(8) . . . . ?
C34 N7 C30 C31 -2.2(13) . . . . ?
Ru1 N7 C30 C31 175.1(7) . . . . ?
C34 N7 C30 C29 179.3(8) . . . . ?
Ru1 N7 C30 C29 -3.4(10) . . . . ?
N6 C29 C30 N7 7.1(11) . . . . ?
C28 C29 C30 N7 -170.7(8) . . . . ?
N6 C29 C30 C31 -171.4(8) . . . . ?
C28 C29 C30 C31 10.8(14) . . . . ?
N7 C30 C31 C32 1.5(14) . . . . ?
C29 C30 C31 C32 179.8(8) . . . . ?
C30 C31 C32 C33 1.1(13) . . . . ?
C30 C31 C32 C39 -176.8(8) . . . . ?
C31 C32 C33 C34 -2.9(13) . . . . ?
C39 C32 C33 C34 175.0(8) . . . . ?
C30 N7 C34 C33 0.4(14) . . . . ?
Ru1 N7 C34 C33 -176.6(7) . . . . ?
C32 C33 C34 N7 2.2(15) . . . . ?
C26 C27 C35 C37 -6.3(12) . . . . ?
C28 C27 C35 C37 174.4(8) . . . . ?
C26 C27 C35 C38 112.1(10) . . . . ?
C28 C27 C35 C38 -67.2(10) . . . . ?
C26 C27 C35 C36 -128.3(9) . . . . ?
C28 C27 C35 C36 52.5(11) . . . . ?
C33 C32 C39 C42 2.8(12) . . . . ?
C31 C32 C39 C42 -179.5(8) . . . . ?
C33 C32 C39 C41 123.9(9) . . . . ?
C31 C32 C39 C41 -58.4(11) . . . . ?
C33 C32 C39 C40 -116.7(10) . . . . ?
C31 C32 C39 C40 61.0(11) . . . . ?
C47 N8 C43 C44 0.0(13) . . . . ?
Ru1 N8 C43 C44 178.2(7) . . . . ?
N8 C43 C44 C45 -0.7(14) . . . . ?
C43 C44 C45 C46 0.4(13) . . . . ?
C43 C44 C45 C53 178.6(8) . . . . ?
C44 C45 C46 C47 0.5(13) . . . . ?
C53 C45 C46 C47 -177.6(8) . . . . ?
C43 N8 C47 C46 0.9(12) . . . . ?
Ru1 N8 C47 C46 -177.5(6) . . . . ?
C43 N8 C47 C48 -177.8(7) . . . . ?
Ru1 N8 C47 C48 3.8(9) . . . . ?
C45 C46 C47 N8 -1.2(13) . . . . ?
C45 C46 C47 C48 177.4(8) . . . . ?
C52 N9 C48 C49 0.0(13) . . . . ?
Ru1 N9 C48 C49 -180.0(6) . . . . ?
C52 N9 C48 C47 179.7(7) . . . . ?
Ru1 N9 C48 C47 -0.2(10) . . . . ?
N8 C47 C48 N9 -2.4(11) . . . . ?
C46 C47 C48 N9 178.9(8) . . . . ?
N8 C47 C48 C49 177.4(8) . . . . ?
C46 C47 C48 C49 -1.3(14) . . . . ?
N9 C48 C49 C50 1.5(13) . . . . ?
C47 C48 C49 C50 -178.3(8) . . . . ?
C48 C49 C50 C51 -1.8(13) . . . . ?
C48 C49 C50 C57 179.7(8) . . . . ?
C49 C50 C51 C52 0.8(13) . . . . ?
C57 C50 C51 C52 179.3(8) . . . . ?
C48 N9 C52 C51 -1.0(13) . . . . ?
Ru1 N9 C52 C51 179.0(7) . . . . ?
C50 C51 C52 N9 0.6(14) . . . . ?
C46 C45 C53 C56 107.8(11) . . . . ?
C44 C45 C53 C56 -70.2(12) . . . . ?
C46 C45 C53 C54 -131.4(10) . . . . ?
C44 C45 C53 C54 50.6(12) . . . . ?
C46 C45 C53 C55 -12.5(13) . . . . ?
C44 C45 C53 C55 169.5(9) . . . . ?
C49 C50 C57 C58 -2.9(13) . . . . ?
C51 C50 C57 C58 178.6(9) . . . . ?
C49 C50 C57 C60 117.1(10) . . . . ?
C51 C50 C57 C60 -61.3(12) . . . . ?
C49 C50 C57 C59 -122.9(10) . . . . ?
C51 C50 C57 C59 58.6(12) . . . . ?
Cl54 Au5 Cl51 Cl51 3.0(3) . . . 2_675 ?
Cl52 Au5 Cl51 Cl51 -175.7(3) . . . 2_675 ?
Cl53 Au5 Cl54 Cl51 176.5(2) . . . 2_675 ?
Cl51 Au5 Cl54 Cl51 -2.9(3) . . . 2_675 ?
C101 C102 O103 C104 179(3) . . . . ?
C102 O103 C104 C105 77(4) . . . . ?
C111 C112 O113 C114 -168(4) . . . . ?
C112 O113 C114 C115 -95(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        27.10
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         2.958
_refine_diff_density_min         -2.342
_refine_diff_density_rms         0.251

