# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_pna21
_database_code_depnum_ccdc_archive 'CCDC 885407'
_audit_update_record             
;
2012-06-06 deposited with the CCDC.	2026-02-04 downloaded from the CCDC.
;
#TrackingRef 'web_deposit_cif_file_0_QianQin_1338979964.SbRu6.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38.22 H53.78 K1.33 N2.67 O16 Ru2.67 Sb0.44'
_chemical_formula_weight         1182.38

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pna2(1)

loop_
_symmetry_equiv_pos_as_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'

_cell_length_a                   19.7255(5)
_cell_length_b                   25.5075(6)
_cell_length_c                   21.1380(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     10635.5(5)
_cell_formula_units_Z            9
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    29416
_cell_measurement_theta_min      2.1851
_cell_measurement_theta_max      27.4932

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5356
_exptl_absorpt_coefficient_mu    1.277
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7324
_exptl_absorpt_correction_T_max  0.8027
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            84272
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_sigmaI/netI    0.0420
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.19
_diffrn_reflns_theta_max         27.48
_reflns_number_total             24236
_reflns_number_gt                23602
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0371P)²+36.0893P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(12)
_refine_ls_number_reflns         24236
_refine_ls_number_parameters     1342
_refine_ls_number_restraints     2154
_refine_ls_R_factor_all          0.0493
_refine_ls_R_factor_gt           0.0478
_refine_ls_wR_factor_ref         0.1064
_refine_ls_wR_factor_gt          0.1054
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_restrained_S_all      1.074
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb Sb 0.73847(2) 0.453216(13) 0.455153(18) 0.02613(8) Uani 1 1 d . . .
K1 K 0.55692(7) 0.26929(5) 0.22853(6) 0.0268(3) Uani 1 1 d . . .
K2 K 0.74799(6) 0.43265(5) 0.95036(6) 0.0272(3) Uani 1 1 d . . .
K3 K 0.47865(7) 0.23542(5) 0.66974(7) 0.0337(3) Uani 1 1 d . . .
Ru1 Ru 0.82076(3) 0.439417(19) 0.36287(2) 0.03194(11) Uani 1 1 d . . .
Ru2 Ru 0.75681(3) 0.542990(18) 0.37703(2) 0.02886(11) Uani 1 1 d . . .
Ru3 Ru 0.85387(2) 0.508360(17) 0.47073(2) 0.02585(10) Uani 1 1 d . . .
Ru4 Ru 0.64489(2) 0.437887(17) 0.53664(2) 0.02446(10) Uani 1 1 d . . .
Ru5 Ru 0.71278(3) 0.541589(17) 0.52081(2) 0.02324(10) Uani 1 1 d . . .
Ru6 Ru 0.78005(2) 0.456588(17) 0.58688(2) 0.02421(10) Uani 1 1 d . . .
O1 O 0.7463(4) 0.3942(3) 0.2499(3) 0.0726(18) Uani 1 1 d U . .
O2 O 0.6035(3) 0.5302(2) 0.3575(3) 0.0496(12) Uani 1 1 d U . .
O3 O 0.7937(4) 0.5336(3) 0.2391(3) 0.0708(18) Uani 1 1 d U . .
O4 O 0.6552(3) 0.32001(18) 0.5577(3) 0.0470(12) Uani 1 1 d U . .
O5 O 0.8452(3) 0.35247(19) 0.5461(3) 0.0541(14) Uani 1 1 d U . .
O6 O 0.8840(3) 0.3362(2) 0.4024(3) 0.0554(14) Uani 1 1 d U . .
O7 O 0.9497(3) 0.4784(2) 0.2967(3) 0.0629(16) Uani 1 1 d U . .
O8 O 0.7104(2) 0.40509(17) 0.6985(2) 0.0345(10) Uani 1 1 d U . .
O9 O 0.9828(3) 0.4450(2) 0.4665(3) 0.0572(14) Uani 1 1 d U . .
O10 O 0.8984(3) 0.4988(2) 0.6636(3) 0.0518(13) Uani 1 1 d U . .
O11 O 0.9074(2) 0.58436(17) 0.3756(2) 0.0348(10) Uani 1 1 d U . .
O12 O 0.5215(3) 0.4323(2) 0.4515(2) 0.0478(12) Uani 1 1 d U . .
O13 O 0.7239(2) 0.55326(16) 0.6608(2) 0.0301(9) Uani 1 1 d U . .
O14 O 0.7510(3) 0.66189(17) 0.3707(2) 0.0433(11) Uani 1 1 d U . .
O15 O 0.5710(3) 0.48099(18) 0.6526(2) 0.0447(12) Uani 1 1 d U . .
O16 O 0.7676(3) 0.65224(17) 0.5164(2) 0.0432(12) Uani 1 1 d U . .
O17 O 0.5702(2) 0.58122(19) 0.5322(3) 0.0439(11) Uani 1 1 d U . .
O18 O 0.9114(3) 0.58749(18) 0.5625(2) 0.0417(11) Uani 1 1 d U . .
O21 O 0.5920(3) 0.3469(2) 0.3148(2) 0.0489(13) Uani 1 1 d U . .
O22 O 0.5921(3) 0.24096(18) 0.3524(2) 0.0438(12) Uani 1 1 d U . .
O23 O 0.4527(2) 0.19354(18) 0.2070(2) 0.0375(10) Uani 1 1 d U . .
O24 O 0.4207(2) 0.30120(18) 0.2082(2) 0.0397(11) Uani 1 1 d U . .
O25 O 0.6755(2) 0.22022(16) 0.1747(2) 0.0327(9) Uani 1 1 d U . .
O26 O 0.6270(2) 0.31815(17) 0.1300(2) 0.0345(10) Uani 1 1 d U . .
O31 O 0.7873(3) 0.4881(2) 1.0628(3) 0.0514(13) Uani 1 1 d U . .
O32 O 0.6492(2) 0.47665(19) 1.0317(2) 0.0399(10) Uani 1 1 d U . .
O33 O 0.7880(3) 0.33033(18) 0.9836(2) 0.0423(11) Uani 1 1 d U . .
O34 O 0.6738(3) 0.34420(18) 0.9063(2) 0.0467(12) Uani 1 1 d U . .
O35 O 0.8583(2) 0.45962(16) 0.8749(2) 0.0321(9) Uani 1 1 d U . .
O36 O 0.7263(2) 0.49912(17) 0.8445(2) 0.0345(10) Uani 1 1 d U . .
O41A O 0.3128(11) 0.2748(8) 0.6828(10) 0.091(5) Uani 0.418(6) 1 d PU A 1
O41B O 0.3491(4) 0.2609(5) 0.7169(4) 0.054(2) Uani 0.582(6) 1 d PU A 2
O42 O 0.4035(4) 0.1645(3) 0.7454(4) 0.089(2) Uani 1 1 d U A .
O43 O 0.4715(3) 0.2776(3) 0.5463(3) 0.0632(15) Uani 1 1 d U A .
O44A O 0.5500(8) 0.1814(6) 0.5712(6) 0.055(3) Uani 0.418(6) 1 d PU A 1
O44B O 0.4990(5) 0.1751(3) 0.5662(4) 0.0428(19) Uani 0.582(6) 1 d PU A 2
O45A O 0.5576(5) 0.3155(4) 0.7337(5) 0.025(2) Uani 0.418(6) 1 d PU A 1
O45B O 0.5209(6) 0.3308(4) 0.7380(5) 0.059(2) Uani 0.582(6) 1 d PU A 2
O46 O 0.6111(4) 0.2145(3) 0.7299(3) 0.0732(15) Uani 1 1 d U A .
N1 N 0.5845(3) 0.15684(19) 0.2533(2) 0.0364(13) Uani 1 1 d . . .
N2 N 0.5278(4) 0.3817(2) 0.2002(3) 0.0488(16) Uani 1 1 d . . .
N3 N 0.8835(3) 0.4177(2) 1.0047(3) 0.0411(13) Uani 1 1 d . . .
N4 N 0.6093(3) 0.4491(2) 0.9023(3) 0.0373(12) Uani 1 1 d . . .
N5A N 0.4392(8) 0.3714(9) 0.6615(8) 0.055(4) Uani 0.418(6) 1 d PU A 1
N5B N 0.4233(8) 0.3423(5) 0.6493(6) 0.055(3) Uani 0.582(6) 1 d PU A 2
N6 N 0.5254(6) 0.1243(4) 0.6915(5) 0.086(2) Uani 1 1 d U A .
C1 C 0.7705(4) 0.4121(3) 0.2936(4) 0.0476(16) Uani 1 1 d U . .
C2 C 0.6609(4) 0.5316(2) 0.3673(3) 0.0369(13) Uani 1 1 d U . .
C3 C 0.7833(4) 0.5327(3) 0.2928(4) 0.0473(15) Uani 1 1 d U . .
C4 C 0.6516(3) 0.3646(2) 0.5485(3) 0.0319(12) Uani 1 1 d U . .
C5 C 0.8213(3) 0.3925(3) 0.5571(3) 0.0379(13) Uani 1 1 d U . .
C6 C 0.8583(4) 0.3760(3) 0.3901(3) 0.0407(14) Uani 1 1 d U . .
C7 C 0.9003(4) 0.4648(3) 0.3217(4) 0.0437(14) Uani 1 1 d U . .
C8 C 0.7331(3) 0.4260(2) 0.6550(3) 0.0315(12) Uani 1 1 d U . .
C9 C 0.9326(3) 0.4694(2) 0.4663(3) 0.0380(13) Uani 1 1 d U . .
C10 C 0.8554(3) 0.4833(3) 0.6309(3) 0.0348(13) Uani 1 1 d U . .
C11 C 0.8648(3) 0.5581(2) 0.4002(3) 0.0332(12) Uani 1 1 d U . .
C12 C 0.5685(4) 0.4368(3) 0.4824(3) 0.0378(13) Uani 1 1 d U . .
C13 C 0.7314(3) 0.5317(2) 0.6118(3) 0.0260(10) Uani 1 1 d U . .
C14 C 0.7514(4) 0.6169(3) 0.3764(3) 0.0353(12) Uani 1 1 d U . .
C15 C 0.6001(3) 0.4659(2) 0.6093(3) 0.0299(11) Uani 1 1 d U . .
C16 C 0.7487(3) 0.6088(2) 0.5175(3) 0.0317(12) Uani 1 1 d U . .
C17 C 0.6243(3) 0.5650(2) 0.5270(3) 0.0317(12) Uani 1 1 d U . .
C18 C 0.8865(3) 0.5566(2) 0.5289(3) 0.0320(12) Uani 1 1 d U . .
C21 C 0.5824(5) 0.1510(3) 0.3232(3) 0.0480(14) Uani 1 1 d U . .
H21A H 0.5357 0.1537 0.3372 0.058 Uiso 1 1 calc R . .
H21B H 0.5986 0.1163 0.3343 0.058 Uiso 1 1 calc R . .
C22 C 0.6236(5) 0.1905(3) 0.3579(4) 0.0532(15) Uani 1 1 d U . .
H22A H 0.6269 0.1807 0.4022 0.064 Uiso 1 1 calc R . .
H22B H 0.6690 0.1918 0.3404 0.064 Uiso 1 1 calc R . .
C23 C 0.6341(5) 0.2807(3) 0.3803(4) 0.0584(16) Uani 1 1 d U . .
H23A H 0.6766 0.2829 0.3574 0.070 Uiso 1 1 calc R . .
H23B H 0.6442 0.2713 0.4238 0.070 Uiso 1 1 calc R . .
C24 C 0.6000(5) 0.3308(3) 0.3786(4) 0.0553(16) Uani 1 1 d U . .
H24A H 0.5560 0.3280 0.3988 0.066 Uiso 1 1 calc R . .
H24B H 0.6265 0.3567 0.4015 0.066 Uiso 1 1 calc R . .
C25 C 0.5637(5) 0.3973(3) 0.3106(4) 0.0560(16) Uani 1 1 d U . .
H25A H 0.5891 0.4214 0.3370 0.067 Uiso 1 1 calc R . .
H25B H 0.5172 0.3966 0.3254 0.067 Uiso 1 1 calc R . .
C26 C 0.5658(5) 0.4151(3) 0.2438(4) 0.0537(15) Uani 1 1 d U . .
H26A H 0.5476 0.4504 0.2416 0.064 Uiso 1 1 calc R . .
H26B H 0.6127 0.4165 0.2301 0.064 Uiso 1 1 calc R . .
C27 C 0.5342(4) 0.1249(3) 0.2214(4) 0.0463(14) Uani 1 1 d U . .
H27A H 0.5387 0.0890 0.2359 0.056 Uiso 1 1 calc R . .
H27B H 0.5437 0.1253 0.1764 0.056 Uiso 1 1 calc R . .
C28 C 0.4616(4) 0.1424(3) 0.2316(4) 0.0497(15) Uani 1 1 d U . .
H28A H 0.4310 0.1183 0.2105 0.060 Uiso 1 1 calc R . .
H28B H 0.4512 0.1422 0.2764 0.060 Uiso 1 1 calc R . .
C29 C 0.3860(4) 0.2122(3) 0.2201(4) 0.0527(16) Uani 1 1 d U . .
H29A H 0.3805 0.2172 0.2653 0.063 Uiso 1 1 calc R . .
H29B H 0.3529 0.1865 0.2062 0.063 Uiso 1 1 calc R . .
C30 C 0.3748(4) 0.2620(3) 0.1869(4) 0.0492(16) Uani 1 1 d U . .
H30A H 0.3807 0.2568 0.1418 0.059 Uiso 1 1 calc R . .
H30B H 0.3286 0.2737 0.1941 0.059 Uiso 1 1 calc R . .
C31 C 0.4098(4) 0.3505(3) 0.1766(4) 0.0489(15) Uani 1 1 d U . .
H31A H 0.3627 0.3609 0.1806 0.059 Uiso 1 1 calc R . .
H31B H 0.4204 0.3471 0.1319 0.059 Uiso 1 1 calc R . .
C32 C 0.4546(5) 0.3912(3) 0.2060(4) 0.0534(16) Uani 1 1 d U . .
H32A H 0.4444 0.4248 0.1868 0.064 Uiso 1 1 calc R . .
H32B H 0.4435 0.3937 0.2506 0.064 Uiso 1 1 calc R . .
C33 C 0.6529(4) 0.1405(3) 0.2314(3) 0.0438(14) Uani 1 1 d U . .
H33A H 0.6542 0.1026 0.2280 0.053 Uiso 1 1 calc R . .
H33B H 0.6863 0.1510 0.2627 0.053 Uiso 1 1 calc R . .
C34 C 0.6719(4) 0.1646(3) 0.1670(3) 0.0387(13) Uani 1 1 d U . .
H34A H 0.7154 0.1511 0.1530 0.046 Uiso 1 1 calc R . .
H34B H 0.6380 0.1557 0.1356 0.046 Uiso 1 1 calc R . .
C35 C 0.6975(4) 0.2438(3) 0.1172(3) 0.0374(13) Uani 1 1 d U . .
H35A H 0.6678 0.2335 0.0829 0.045 Uiso 1 1 calc R . .
H35B H 0.7431 0.2322 0.1072 0.045 Uiso 1 1 calc R . .
C36 C 0.6964(4) 0.3021(3) 0.1250(3) 0.0377(13) Uani 1 1 d U . .
H36A H 0.7210 0.3121 0.1629 0.045 Uiso 1 1 calc R . .
H36B H 0.7176 0.3188 0.0889 0.045 Uiso 1 1 calc R . .
C37 C 0.6211(4) 0.3734(3) 0.1211(3) 0.0450(14) Uani 1 1 d U . .
H37A H 0.6335 0.3825 0.0781 0.054 Uiso 1 1 calc R . .
H37B H 0.6517 0.3915 0.1496 0.054 Uiso 1 1 calc R . .
C38 C 0.5498(4) 0.3902(3) 0.1338(3) 0.0442(14) Uani 1 1 d U . .
H38A H 0.5455 0.4271 0.1238 0.053 Uiso 1 1 calc R . .
H38B H 0.5197 0.3710 0.1059 0.053 Uiso 1 1 calc R . .
C41 C 0.9019(4) 0.4600(3) 1.0498(4) 0.0546(16) Uani 1 1 d U . .
H41A H 0.9423 0.4499 1.0730 0.066 Uiso 1 1 calc R . .
H41B H 0.9121 0.4918 1.0265 0.066 Uiso 1 1 calc R . .
C42 C 0.8459(4) 0.4703(4) 1.0950(4) 0.0599(17) Uani 1 1 d U . .
H42A H 0.8353 0.4385 1.1179 0.072 Uiso 1 1 calc R . .
H42B H 0.8601 0.4966 1.1254 0.072 Uiso 1 1 calc R . .
C43 C 0.7334(4) 0.4960(4) 1.1065(4) 0.0549(17) Uani 1 1 d U . .
H43A H 0.7243 0.4634 1.1286 0.066 Uiso 1 1 calc R . .
H43B H 0.7470 0.5219 1.1376 0.066 Uiso 1 1 calc R . .
C44 C 0.6731(4) 0.5132(3) 1.0760(4) 0.0567(17) Uani 1 1 d U . .
H44A H 0.6384 0.5194 1.1076 0.068 Uiso 1 1 calc R . .
H44B H 0.6820 0.5462 1.0547 0.068 Uiso 1 1 calc R . .
C45 C 0.5884(4) 0.4955(3) 1.0036(3) 0.0453(14) Uani 1 1 d U . .
H45A H 0.5969 0.5289 0.9832 0.054 Uiso 1 1 calc R . .
H45B H 0.5542 0.5008 1.0360 0.054 Uiso 1 1 calc R . .
C46 C 0.5635(4) 0.4567(3) 0.9560(4) 0.0502(15) Uani 1 1 d U . .
H46A H 0.5567 0.4233 0.9769 0.060 Uiso 1 1 calc R . .
H46B H 0.5198 0.4684 0.9402 0.060 Uiso 1 1 calc R . .
C47 C 0.8854(4) 0.3668(3) 1.0367(4) 0.0546(15) Uani 1 1 d U . .
H47A H 0.8598 0.3694 1.0757 0.066 Uiso 1 1 calc R . .
H47B H 0.9321 0.3591 1.0479 0.066 Uiso 1 1 calc R . .
C48 C 0.8583(4) 0.3223(3) 0.9993(4) 0.0570(14) Uani 1 1 d U . .
H48A H 0.8844 0.3185 0.9607 0.068 Uiso 1 1 calc R . .
H48B H 0.8629 0.2901 1.0235 0.068 Uiso 1 1 calc R . .
C49 C 0.7627(5) 0.2893(3) 0.9456(4) 0.0557(17) Uani 1 1 d U . .
H49A H 0.7727 0.2558 0.9653 0.067 Uiso 1 1 calc R . .
H49B H 0.7844 0.2901 0.9045 0.067 Uiso 1 1 calc R . .
C50 C 0.6890(5) 0.2951(3) 0.9380(4) 0.0559(17) Uani 1 1 d U . .
H50A H 0.6713 0.2661 0.9134 0.067 Uiso 1 1 calc R . .
H50B H 0.6673 0.2946 0.9792 0.067 Uiso 1 1 calc R . .
C51 C 0.6044(5) 0.3507(3) 0.8986(4) 0.0577(16) Uani 1 1 d U . .
H51A H 0.5822 0.3498 0.9395 0.069 Uiso 1 1 calc R . .
H51B H 0.5864 0.3223 0.8732 0.069 Uiso 1 1 calc R . .
C52 C 0.5900(4) 0.4028(3) 0.8663(4) 0.0524(14) Uani 1 1 d U . .
H52A H 0.6139 0.4035 0.8262 0.063 Uiso 1 1 calc R . .
H52B H 0.5419 0.4048 0.8572 0.063 Uiso 1 1 calc R . .
C53 C 0.9319(4) 0.4186(3) 0.9512(4) 0.0482(14) Uani 1 1 d U . .
H53A H 0.9280 0.3859 0.9281 0.058 Uiso 1 1 calc R . .
H53B H 0.9776 0.4205 0.9681 0.058 Uiso 1 1 calc R . .
C54 C 0.9220(4) 0.4631(3) 0.9061(4) 0.0427(14) Uani 1 1 d U . .
H54A H 0.9246 0.4960 0.9290 0.051 Uiso 1 1 calc R . .
H54B H 0.9580 0.4627 0.8749 0.051 Uiso 1 1 calc R . .
C55 C 0.8466(4) 0.5042(3) 0.8363(3) 0.0394(14) Uani 1 1 d U . .
H55A H 0.8837 0.5082 0.8065 0.047 Uiso 1 1 calc R . .
H55B H 0.8448 0.5354 0.8624 0.047 Uiso 1 1 calc R . .
C56 C 0.7813(3) 0.4980(3) 0.8011(3) 0.0378(13) Uani 1 1 d U . .
H56A H 0.7765 0.5262 0.7706 0.045 Uiso 1 1 calc R . .
H56B H 0.7813 0.4651 0.7782 0.045 Uiso 1 1 calc R . .
C57 C 0.6639(4) 0.4969(3) 0.8116(3) 0.0428(14) Uani 1 1 d U . .
H57A H 0.6622 0.4659 0.7852 0.051 Uiso 1 1 calc R . .
H57B H 0.6587 0.5276 0.7849 0.051 Uiso 1 1 calc R . .
C58 C 0.6071(4) 0.4952(3) 0.8611(4) 0.0442(14) Uani 1 1 d U . .
H58A H 0.6099 0.5265 0.8871 0.053 Uiso 1 1 calc R . .
H58B H 0.5637 0.4959 0.8394 0.053 Uiso 1 1 calc R . .
C61 C 0.3620(6) 0.3507(4) 0.6664(5) 0.0746(18) Uani 1 1 d U . .
H61A H 0.3331 0.3562 0.6323 0.089 Uiso 1 1 calc R A 1
C62 C 0.3367(6) 0.3247(4) 0.7200(6) 0.082(2) Uani 1 1 d U A .
H62A H 0.2995 0.3433 0.7399 0.098 Uiso 1 1 calc R B 1
H62B H 0.3716 0.3169 0.7509 0.098 Uiso 1 1 calc R B 1
C63 C 0.3281(6) 0.2395(5) 0.7637(6) 0.088(2) Uani 1 1 d U . .
C64 C 0.3261(5) 0.1869(4) 0.7434(6) 0.080(2) Uani 1 1 d U A .
H64A H 0.3082 0.1848 0.7007 0.096 Uiso 1 1 calc R . .
H64B H 0.2972 0.1664 0.7711 0.096 Uiso 1 1 calc R . .
C65 C 0.4076(6) 0.1187(4) 0.7340(6) 0.0798(19) Uani 1 1 d U . .
H65A H 0.3977 0.1121 0.6898 0.096 Uiso 1 1 calc R A 2
H65B H 0.3760 0.0989 0.7598 0.096 Uiso 1 1 calc R A 2
C66A C 0.5109(14) 0.0951(9) 0.7283(13) 0.067(2) Uani 0.418(6) 1 d PU A 1
C66B C 0.4714(8) 0.1050(6) 0.7475(8) 0.064(2) Uani 0.582(6) 1 d PU A 2
H66A H 0.4740 0.0673 0.7521 0.077 Uiso 1 1 calc R . .
H66B H 0.4845 0.1207 0.7876 0.077 Uiso 1 1 calc R . .
C67 C 0.4526(5) 0.3658(4) 0.5889(5) 0.0667(16) Uani 1 1 d U . .
H67A H 0.4323 0.3972 0.5713 0.080 Uiso 1 1 calc R A 1
H67B H 0.5011 0.3710 0.5852 0.080 Uiso 1 1 calc R A 1
C68 C 0.4380(5) 0.3253(3) 0.5407(4) 0.0565(16) Uani 1 1 d U A .
H68A H 0.3897 0.3185 0.5413 0.068 Uiso 1 1 calc R . .
H68B H 0.4488 0.3399 0.4995 0.068 Uiso 1 1 calc R . .
C69A C 0.5112(13) 0.2419(9) 0.5006(10) 0.058(2) Uani 0.418(6) 1 d PU A 1
C69B C 0.4642(9) 0.2447(6) 0.4999(7) 0.056(2) Uani 0.582(6) 1 d PU A 2
H69A H 0.4749 0.2621 0.4603 0.067 Uiso 1 1 calc R . .
H69B H 0.4174 0.2331 0.4980 0.067 Uiso 1 1 calc R . .
C70 C 0.5126(5) 0.1952(4) 0.5087(4) 0.0632(18) Uani 1 1 d U . .
C71 C 0.5498(6) 0.1289(4) 0.5788(5) 0.0703(18) Uani 1 1 d U . .
H71A H 0.5971 0.1191 0.5829 0.084 Uiso 1 1 calc R A 1
H71B H 0.5349 0.1149 0.5385 0.084 Uiso 1 1 calc R A 1
C72 C 0.5124(6) 0.0969(4) 0.6288(5) 0.0779(18) Uani 1 1 d U A .
H72A H 0.4642 0.0959 0.6197 0.093 Uiso 1 1 calc R . .
H72B H 0.5295 0.0613 0.6299 0.093 Uiso 1 1 calc R . .
C73A C 0.4704(12) 0.3768(9) 0.7313(12) 0.060(2) Uani 0.418(6) 1 d PU A 1
C73B C 0.4742(9) 0.3814(6) 0.7006(8) 0.057(2) Uani 0.582(6) 1 d PU A 2
H73A H 0.5034 0.4051 0.6773 0.068 Uiso 1 1 calc R A 2
H73B H 0.4470 0.4011 0.7306 0.068 Uiso 1 1 calc R A 2
C74A C 0.5465(10) 0.3701(8) 0.7060(9) 0.0469(19) Uani 0.418(6) 1 d PU A 1
C74B C 0.5676(8) 0.3398(7) 0.6997(8) 0.060(2) Uani 0.582(6) 1 d PU A 2
H74A H 0.5701 0.3609 0.6639 0.072 Uiso 1 1 calc R A 2
C75 C 0.6233(4) 0.3014(3) 0.7345(4) 0.0532(15) Uani 1 1 d U . .
H75A H 0.6499 0.3280 0.7559 0.064 Uiso 1 1 calc R A 1
H75B H 0.6400 0.2981 0.6915 0.064 Uiso 1 1 calc R A 1
C76 C 0.6301(5) 0.2504(4) 0.7681(5) 0.0682(17) Uani 1 1 d U A .
H76A H 0.6769 0.2447 0.7806 0.082 Uiso 1 1 calc R . .
H76B H 0.6021 0.2501 0.8057 0.082 Uiso 1 1 calc R . .
C77 C 0.6106(5) 0.1592(4) 0.7553(5) 0.0608(15) Uani 1 1 d U . .
H77A H 0.6551 0.1430 0.7564 0.073 Uiso 1 1 calc R A 1
H77B H 0.5883 0.1559 0.7961 0.073 Uiso 1 1 calc R A 1
C78A C 0.5679(14) 0.1413(10) 0.7012(13) 0.066(2) Uani 0.418(6) 1 d PU A 1
C78B C 0.5926(10) 0.1210(7) 0.7066(9) 0.066(2) Uani 0.582(6) 1 d PU A 2
H78A H 0.6229 0.0975 0.6882 0.080 Uiso 1 1 calc R . .
C81 C 0.9904(4) 0.2604(3) 0.8982(5) 0.0585(16) Uani 1 1 d U A .
H81A H 0.9813 0.2644 0.8553 0.070 Uiso 1 1 calc R . .
C82 C 0.9614(5) 0.2179(3) 0.9322(5) 0.0596(16) Uani 1 1 d U . .
C83 C 0.9742(4) 0.2147(3) 0.9950(4) 0.0560(16) Uani 1 1 d U A .
H83A H 0.9543 0.1881 1.0188 0.067 Uiso 1 1 calc R . .
C84 C 1.0172(5) 0.2511(3) 1.0244(5) 0.0653(17) Uani 1 1 d U . .
H84A H 1.0266 0.2473 1.0672 0.078 Uiso 1 1 calc R A .
C85 C 1.0454(5) 0.2916(4) 0.9928(5) 0.0637(17) Uani 1 1 d U A .
H85A H 1.0727 0.3160 1.0133 0.076 Uiso 1 1 calc R . .
C86 C 1.0319(5) 0.2954(3) 0.9283(5) 0.0593(16) Uani 1 1 d U . .
H86A H 1.0515 0.3225 0.9052 0.071 Uiso 1 1 calc R A .
C87A C 0.9153(15) 0.1756(11) 0.9171(13) 0.060(4) Uani 0.418(6) 1 d PU A 1
C87B C 0.9176(11) 0.1842(8) 0.8915(9) 0.069(4) Uani 0.582(6) 1 d PU A 2
H87A H 0.8973 0.1572 0.9168 0.104 Uiso 1 1 calc R . .
H87B H 0.9447 0.1685 0.8589 0.104 Uiso 1 1 calc R . .
H87C H 0.8827 0.2052 0.8726 0.104 Uiso 1 1 calc R . .
C88 C 0.8441(6) 0.1499(5) 0.3545(5) 0.084(3) Uani 1 1 d U . .
H88A H 0.8396 0.1133 0.3450 0.125 Uiso 1 1 calc R . .
H88B H 0.8908 0.1578 0.3632 0.125 Uiso 1 1 calc R . .
H88C H 0.8290 0.1702 0.3190 0.125 Uiso 1 1 calc R . .
C89 C 0.8022(5) 0.1628(4) 0.4110(4) 0.0620(17) Uani 1 1 d U . .
C90 C 0.7655(5) 0.1247(4) 0.4418(5) 0.0634(17) Uani 1 1 d U . .
H90A H 0.7648 0.0906 0.4262 0.076 Uiso 1 1 calc R . .
C91 C 0.7292(5) 0.1375(4) 0.4969(5) 0.0702(19) Uani 1 1 d U . .
H91A H 0.7067 0.1116 0.5197 0.084 Uiso 1 1 calc R . .
C92 C 0.7274(5) 0.1892(4) 0.5164(5) 0.0709(19) Uani 1 1 d U . .
H92A H 0.7019 0.1981 0.5518 0.085 Uiso 1 1 calc R . .
C93 C 0.7622(5) 0.2274(4) 0.4851(5) 0.0665(18) Uani 1 1 d U . .
H93A H 0.7610 0.2619 0.4993 0.080 Uiso 1 1 calc R . .
C94 C 0.7990(5) 0.2144(4) 0.4324(5) 0.0611(17) Uani 1 1 d U . .
H94A H 0.8222 0.2404 0.4106 0.073 Uiso 1 1 calc R . .


_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
Sb Ru4 2.5547(6) . ?
Sb Ru1 2.5621(6) . ?
Sb Ru5 2.6952(5) . ?
Sb Ru3 2.6960(6) . ?
Sb Ru2 2.8463(6) . ?
Sb Ru6 2.9040(6) . ?
K1 O21 2.779(5) . ?
K1 O26 2.794(5) . ?
K1 O22 2.802(5) . ?
K1 O24 2.840(5) . ?
K1 O23 2.858(5) . ?
K1 O25 2.887(5) . ?
K1 N1 2.966(5) . ?
K1 N2 2.986(6) . ?
K2 O35 2.784(4) . ?
K2 O33 2.816(5) . ?
K2 O32 2.831(5) . ?
K2 O36 2.840(4) . ?
K2 O34 2.846(5) . ?
K2 O31 2.873(5) . ?
K2 N3 2.934(6) . ?
K2 N4 2.949(6) . ?
K3 O44B 2.705(9) . ?
K3 O41B 2.819(8) . ?
K3 O43 2.826(6) . ?
K3 O42 2.834(7) . ?
K3 O44A 2.867(14) . ?
K3 O45A 2.902(10) . ?
K3 O45B 2.949(11) . ?
K3 O46 2.954(7) . ?
K3 N5B 2.968(10) . ?
K3 N6 3.016(10) . ?
K3 C78A 3.05(3) . ?
K3 C74B 3.252(16) . ?
Ru1 C6 1.870(8) . ?
Ru1 C1 1.901(8) . ?
Ru1 C7 1.907(7) . ?
Ru1 Ru2 2.9428(7) . ?
Ru1 Ru3 2.9525(7) . ?
Ru2 C3 1.874(8) . ?
Ru2 C14 1.888(6) . ?
Ru2 C2 1.926(7) . ?
Ru2 C11 2.219(7) . ?
Ru2 Ru3 2.8927(7) . ?
Ru3 C9 1.846(7) . ?
Ru3 C18 1.855(7) . ?
Ru3 C11 1.970(7) . ?
Ru3 Ru5 3.0957(7) . ?
Ru3 Ru6 3.1451(7) . ?
Ru4 C4 1.890(6) . ?
Ru4 C12 1.893(7) . ?
Ru4 C15 1.911(6) . ?
Ru4 Ru6 2.9092(7) . ?
Ru4 Ru5 2.9837(6) . ?
Ru5 C17 1.850(7) . ?
Ru5 C16 1.856(6) . ?
Ru5 C13 1.974(6) . ?
Ru5 Ru6 2.9004(6) . ?
Ru6 C8 1.881(7) . ?
Ru6 C10 1.882(7) . ?
Ru6 C5 1.932(6) . ?
Ru6 C13 2.207(5) . ?
O1 C1 1.135(9) . ?
O2 C2 1.150(8) . ?
O3 C3 1.153(9) . ?
O4 C4 1.157(8) . ?
O5 C5 1.148(8) . ?
O6 C6 1.165(9) . ?
O7 C7 1.161(9) . ?
O8 C8 1.154(8) . ?
O9 C9 1.170(8) . ?
O10 C10 1.163(8) . ?
O11 C11 1.194(7) . ?
O12 C12 1.141(8) . ?
O13 C13 1.182(7) . ?
O14 C14 1.154(8) . ?
O15 C15 1.146(7) . ?
O16 C16 1.170(7) . ?
O17 C17 1.149(8) . ?
O18 C18 1.169(8) . ?
O21 C25 1.405(9) . ?
O21 C24 1.419(9) . ?
O22 C22 1.434(8) . ?
O22 C23 1.437(10) . ?
O23 C28 1.414(8) . ?
O23 C29 1.426(10) . ?
O24 C30 1.422(9) . ?
O24 C31 1.441(8) . ?
O25 C35 1.424(8) . ?
O25 C34 1.430(8) . ?
O26 C37 1.427(8) . ?
O26 C36 1.432(8) . ?
O31 C42 1.415(10) . ?
O31 C43 1.422(10) . ?
O32 C44 1.402(9) . ?
O32 C45 1.422(8) . ?
O33 C49 1.412(9) . ?
O33 C48 1.439(10) . ?
O34 C51 1.388(11) . ?
O34 C50 1.451(9) . ?
O35 C55 1.418(8) . ?
O35 C54 1.422(8) . ?
O36 C57 1.415(8) . ?
O36 C56 1.421(8) . ?
O41A C62 1.57(2) . ?
O41B C63 1.204(14) . ?
O41B C62 1.645(16) . ?
O42 C65 1.196(12) . ?
O42 C64 1.630(13) . ?
O43 C69B 1.298(15) . ?
O43 C68 1.390(10) . ?
O43 C69A 1.54(2) . ?
O44A C71 1.348(16) . ?
O44A C70 1.554(16) . ?
O44B C70 1.348(12) . ?
O44B C71 1.569(13) . ?
O45A C75 1.345(13) . ?
O45A C74A 1.53(2) . ?
O45B C74B 1.25(2) . ?
O45B C73B 1.77(2) . ?
O46 C76 1.276(11) . ?
O46 C77 1.511(11) . ?
N1 C27 1.450(10) . ?
N1 C21 1.486(9) . ?
N1 C33 1.487(9) . ?
N2 C26 1.463(10) . ?
N2 C32 1.468(11) . ?
N2 C38 1.484(10) . ?
N3 C47 1.464(10) . ?
N3 C53 1.480(9) . ?
N3 C41 1.485(10) . ?
N4 C52 1.454(9) . ?
N4 C46 1.464(10) . ?
N4 C58 1.465(9) . ?
N5A C67 1.56(2) . ?
N5A C73A 1.60(3) . ?
N5A C61 1.62(2) . ?
N5B C61 1.280(16) . ?
N5B C67 1.524(15) . ?
N5B C73B 1.78(2) . ?
N6 C78A 0.97(2) . ?
N6 C66A 1.11(3) . ?
N6 C78B 1.37(2) . ?
N6 C72 1.519(14) . ?
N6 C66B 1.667(19) . ?
C21 C22 1.486(11) . ?
C23 C24 1.446(12) . ?
C25 C26 1.483(11) . ?
C27 C28 1.515(11) . ?
C29 C30 1.469(11) . ?
C31 C32 1.498(12) . ?
C33 C34 1.540(10) . ?
C35 C36 1.496(9) . ?
C37 C38 1.493(11) . ?
C41 C42 1.484(12) . ?
C43 C44 1.422(12) . ?
C45 C46 1.494(11) . ?
C47 C48 1.484(12) . ?
C49 C50 1.470(12) . ?
C51 C52 1.521(11) . ?
C53 C54 1.495(10) . ?
C55 C56 1.496(10) . ?
C57 C58 1.532(10) . ?
C61 C62 1.406(15) . ?
C63 C64 1.408(15) . ?
C65 C66B 1.336(18) . ?
C66A C78A 1.73(4) . ?
C67 C68 1.478(12) . ?
C69A C70 1.20(2) . ?
C69B C70 1.594(18) . ?
C71 C72 1.526(14) . ?
C73A C74A 1.60(3) . ?
C74B C75 1.645(19) . ?
C75 C76 1.490(12) . ?
C77 C78B 1.463(19) . ?
C77 C78A 1.49(3) . ?
C81 C86 1.369(13) . ?
C81 C82 1.421(12) . ?
C82 C83 1.352(12) . ?
C82 C87A 1.45(3) . ?
C82 C87B 1.49(2) . ?
C83 C84 1.405(13) . ?
C84 C85 1.349(13) . ?
C85 C86 1.393(13) . ?
C88 C89 1.489(14) . ?
C89 C90 1.376(13) . ?
C89 C94 1.392(13) . ?
C90 C91 1.406(14) . ?
C91 C92 1.382(14) . ?
C92 C93 1.364(14) . ?
C93 C94 1.369(13) . ?

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
Ru4 Sb Ru1 161.82(2) . . ?
Ru4 Sb Ru5 69.209(17) . . ?
Ru1 Sb Ru5 128.76(2) . . ?
Ru4 Sb Ru3 127.41(2) . . ?
Ru1 Sb Ru3 68.268(18) . . ?
Ru5 Sb Ru3 70.090(16) . . ?
Ru4 Sb Ru2 127.31(2) . . ?
Ru1 Sb Ru2 65.684(17) . . ?
Ru5 Sb Ru2 69.497(15) . . ?
Ru3 Sb Ru2 62.856(17) . . ?
Ru4 Sb Ru6 64.033(17) . . ?
Ru1 Sb Ru6 123.72(2) . . ?
Ru5 Sb Ru6 62.265(15) . . ?
Ru3 Sb Ru6 68.220(16) . . ?
Ru2 Sb Ru6 119.771(17) . . ?
O21 K1 O26 92.77(15) . . ?
O21 K1 O22 60.59(14) . . ?
O26 K1 O22 133.56(16) . . ?
O21 K1 O24 97.52(16) . . ?
O26 K1 O24 103.17(14) . . ?
O22 K1 O24 116.67(16) . . ?
O21 K1 O23 139.92(16) . . ?
O26 K1 O23 122.63(14) . . ?
O22 K1 O23 98.75(15) . . ?
O24 K1 O23 59.27(14) . . ?
O21 K1 O25 111.42(16) . . ?
O26 K1 O25 59.90(13) . . ?
O22 K1 O25 93.19(14) . . ?
O24 K1 O25 146.26(14) . . ?
O23 K1 O25 103.15(13) . . ?
O21 K1 N1 121.80(16) . . ?
O26 K1 N1 118.20(15) . . ?
O22 K1 N1 62.63(14) . . ?
O24 K1 N1 118.50(16) . . ?
O23 K1 N1 60.40(16) . . ?
O25 K1 N1 60.13(14) . . ?
O21 K1 N2 59.72(17) . . ?
O26 K1 N2 61.12(17) . . ?
O22 K1 N2 118.87(16) . . ?
O24 K1 N2 60.81(17) . . ?
O23 K1 N2 118.61(17) . . ?
O25 K1 N2 119.56(17) . . ?
N1 K1 N2 178.47(18) . . ?
O35 K2 O33 98.78(14) . . ?
O35 K2 O32 142.00(14) . . ?
O33 K2 O32 114.13(15) . . ?
O35 K2 O36 61.24(13) . . ?
O33 K2 O36 142.39(14) . . ?
O32 K2 O36 97.98(14) . . ?
O35 K2 O34 114.24(15) . . ?
O33 K2 O34 59.42(16) . . ?
O32 K2 O34 99.16(16) . . ?
O36 K2 O34 97.93(14) . . ?
O35 K2 O31 98.11(15) . . ?
O33 K2 O31 100.02(17) . . ?
O32 K2 O31 59.19(15) . . ?
O36 K2 O31 113.51(16) . . ?
O34 K2 O31 143.12(17) . . ?
O35 K2 N3 62.89(15) . . ?
O33 K2 N3 61.69(17) . . ?
O32 K2 N3 116.15(16) . . ?
O36 K2 N3 121.55(16) . . ?
O34 K2 N3 119.55(17) . . ?
O31 K2 N3 59.63(16) . . ?
O35 K2 N4 119.54(15) . . ?
O33 K2 N4 118.56(16) . . ?
O32 K2 N4 60.95(15) . . ?
O36 K2 N4 60.27(15) . . ?
O34 K2 N4 61.48(16) . . ?
O31 K2 N4 117.76(16) . . ?
N3 K2 N4 177.07(17) . . ?
O44B K3 O41B 123.5(3) . . ?
O44B K3 O43 58.5(2) . . ?
O41B K3 O43 101.1(2) . . ?
O44B K3 O42 99.8(3) . . ?
O41B K3 O42 58.2(3) . . ?
O43 K3 O42 137.6(2) . . ?
O44B K3 O44A 20.9(3) . . ?
O41B K3 O44A 144.4(4) . . ?
O43 K3 O44A 62.4(3) . . ?
O42 K3 O44A 111.1(3) . . ?
O44B K3 O45A 134.3(3) . . ?
O41B K3 O45A 99.1(3) . . ?
O43 K3 O45A 100.9(3) . . ?
O42 K3 O45A 117.9(3) . . ?
O44A K3 O45A 114.4(4) . . ?
O44B K3 O45B 145.4(3) . . ?
O41B K3 O45B 83.8(4) . . ?
O43 K3 O45B 98.7(3) . . ?
O42 K3 O45B 113.5(3) . . ?
O44A K3 O45B 127.8(4) . . ?
O45A K3 O45B 16.2(2) . . ?
O44B K3 O46 96.6(2) . . ?
O41B K3 O46 133.7(2) . . ?
O43 K3 O46 120.7(2) . . ?
O42 K3 O46 96.0(2) . . ?
O44A K3 O46 78.0(3) . . ?
O45A K3 O46 56.8(3) . . ?
O45B K3 O46 71.8(3) . . ?
O44B K3 N5B 117.4(3) . . ?
O41B K3 N5B 60.4(4) . . ?
O43 K3 N5B 59.9(3) . . ?
O42 K3 N5B 118.4(3) . . ?
O44A K3 N5B 121.1(3) . . ?
O45A K3 N5B 67.6(4) . . ?
O45B K3 N5B 54.4(4) . . ?
O46 K3 N5B 123.6(4) . . ?
O44B K3 N6 62.8(3) . . ?
O41B K3 N6 116.1(3) . . ?
O43 K3 N6 120.9(2) . . ?
O42 K3 N6 58.3(3) . . ?
O44A K3 N6 60.6(3) . . ?
O45A K3 N6 115.3(3) . . ?
O45B K3 N6 127.9(3) . . ?
O46 K3 N6 59.6(3) . . ?
N5B K3 N6 176.2(4) . . ?
O44B K3 C78A 69.1(5) . . ?
O41B K3 C78A 128.9(6) . . ?
O43 K3 C78A 122.0(5) . . ?
O42 K3 C78A 71.1(5) . . ?
O44A K3 C78A 59.8(6) . . ?
O45A K3 C78A 98.2(5) . . ?
O45B K3 C78A 112.3(5) . . ?
O46 K3 C78A 41.7(5) . . ?
N5B K3 C78A 165.2(6) . . ?
N6 K3 C78A 18.3(5) . . ?
O44B K3 C74B 122.9(4) . . ?
O41B K3 C74B 103.4(4) . . ?
O43 K3 C74B 84.0(4) . . ?
O42 K3 C74B 134.0(4) . . ?
O44A K3 C74B 105.7(4) . . ?
O45A K3 C74B 16.9(4) . . ?
O45B K3 C74B 22.5(4) . . ?
O46 K3 C74B 65.6(3) . . ?
N5B K3 C74B 58.3(5) . . ?
N6 K3 C74B 125.1(4) . . ?
C78A K3 C74B 106.9(6) . . ?
C6 Ru1 C1 97.3(3) . . ?
C6 Ru1 C7 96.3(3) . . ?
C1 Ru1 C7 101.7(3) . . ?
C6 Ru1 Sb 97.8(2) . . ?
C1 Ru1 Sb 107.8(2) . . ?
C7 Ru1 Sb 145.3(2) . . ?
C6 Ru1 Ru2 156.2(2) . . ?
C1 Ru1 Ru2 100.6(2) . . ?
C7 Ru1 Ru2 95.4(2) . . ?
Sb Ru1 Ru2 61.813(16) . . ?
C6 Ru1 Ru3 100.9(2) . . ?
C1 Ru1 Ru3 158.2(2) . . ?
C7 Ru1 Ru3 88.2(2) . . ?
Sb Ru1 Ru3 58.018(15) . . ?
Ru2 Ru1 Ru3 58.771(16) . . ?
C3 Ru2 C14 98.6(3) . . ?
C3 Ru2 C2 98.7(3) . . ?
C14 Ru2 C2 95.4(3) . . ?
C3 Ru2 C11 88.1(3) . . ?
C14 Ru2 C11 83.2(3) . . ?
C2 Ru2 C11 173.2(3) . . ?
C3 Ru2 Sb 118.3(2) . . ?
C14 Ru2 Sb 143.2(2) . . ?
C2 Ru2 Sb 79.4(2) . . ?
C11 Ru2 Sb 97.69(17) . . ?
C3 Ru2 Ru3 115.0(3) . . ?
C14 Ru2 Ru3 110.3(2) . . ?
C2 Ru2 Ru3 132.7(2) . . ?
C11 Ru2 Ru3 42.85(17) . . ?
Sb Ru2 Ru3 56.030(15) . . ?
C3 Ru2 Ru1 70.0(3) . . ?
C14 Ru2 Ru1 156.9(2) . . ?
C2 Ru2 Ru1 105.97(19) . . ?
C11 Ru2 Ru1 76.54(16) . . ?
Sb Ru2 Ru1 52.503(15) . . ?
Ru3 Ru2 Ru1 60.782(17) . . ?
C9 Ru3 C18 95.7(3) . . ?
C9 Ru3 C11 102.5(3) . . ?
C18 Ru3 C11 92.1(3) . . ?
C9 Ru3 Sb 115.01(19) . . ?
C18 Ru3 Sb 136.09(19) . . ?
C11 Ru3 Sb 109.62(19) . . ?
C9 Ru3 Ru2 133.3(2) . . ?
C18 Ru3 Ru2 118.7(2) . . ?
C11 Ru3 Ru2 50.00(19) . . ?
Sb Ru3 Ru2 61.114(16) . . ?
C9 Ru3 Ru1 80.0(2) . . ?
C18 Ru3 Ru1 169.64(19) . . ?
C11 Ru3 Ru1 79.82(17) . . ?
Sb Ru3 Ru1 53.714(15) . . ?
Ru2 Ru3 Ru1 60.447(17) . . ?
C9 Ru3 Ru5 157.1(2) . . ?
C18 Ru3 Ru5 84.49(19) . . ?
C11 Ru3 Ru5 100.4(2) . . ?
Sb Ru3 Ru5 54.943(14) . . ?
Ru2 Ru3 Ru5 63.614(16) . . ?
Ru1 Ru3 Ru5 103.196(19) . . ?
C9 Ru3 Ru6 101.7(2) . . ?
C18 Ru3 Ru6 85.55(19) . . ?
C11 Ru3 Ru6 155.8(2) . . ?
Sb Ru3 Ru6 59.030(15) . . ?
Ru2 Ru3 Ru6 110.87(2) . . ?
Ru1 Ru3 Ru6 104.498(18) . . ?
Ru5 Ru3 Ru6 55.381(14) . . ?
C4 Ru4 C12 97.0(3) . . ?
C4 Ru4 C15 107.1(3) . . ?
C12 Ru4 C15 97.1(3) . . ?
C4 Ru4 Sb 100.96(19) . . ?
C12 Ru4 Sb 99.7(2) . . ?
C15 Ru4 Sb 145.01(18) . . ?
C4 Ru4 Ru6 92.8(2) . . ?
C12 Ru4 Ru6 162.3(2) . . ?
C15 Ru4 Ru6 93.97(19) . . ?
Sb Ru4 Ru6 63.826(16) . . ?
C4 Ru4 Ru5 149.30(19) . . ?
C12 Ru4 Ru5 107.6(2) . . ?
C15 Ru4 Ru5 88.10(18) . . ?
Sb Ru4 Ru5 57.616(14) . . ?
Ru6 Ru4 Ru5 58.953(15) . . ?
C17 Ru5 C16 93.7(3) . . ?
C17 Ru5 C13 98.5(3) . . ?
C16 Ru5 C13 94.7(3) . . ?
C17 Ru5 Sb 118.96(18) . . ?
C16 Ru5 Sb 132.9(2) . . ?
C13 Ru5 Sb 111.10(16) . . ?
C17 Ru5 Ru6 129.7(2) . . ?
C16 Ru5 Ru6 122.2(2) . . ?
C13 Ru5 Ru6 49.49(16) . . ?
Sb Ru5 Ru6 62.402(15) . . ?
C17 Ru5 Ru4 81.65(18) . . ?
C16 Ru5 Ru4 173.9(2) . . ?
C13 Ru5 Ru4 82.02(17) . . ?
Sb Ru5 Ru4 53.175(14) . . ?
Ru6 Ru5 Ru4 59.242(15) . . ?
C17 Ru5 Ru3 164.0(2) . . ?
C16 Ru5 Ru3 84.1(2) . . ?
C13 Ru5 Ru3 97.52(17) . . ?
Sb Ru5 Ru3 54.968(14) . . ?
Ru6 Ru5 Ru3 63.174(16) . . ?
Ru4 Ru5 Ru3 101.484(17) . . ?
C8 Ru6 C10 99.2(3) . . ?
C8 Ru6 C5 96.1(3) . . ?
C10 Ru6 C5 97.8(3) . . ?
C8 Ru6 C13 87.9(2) . . ?
C10 Ru6 C13 84.9(3) . . ?
C5 Ru6 C13 174.8(3) . . ?
C8 Ru6 Ru5 116.94(19) . . ?
C10 Ru6 Ru5 109.2(2) . . ?
C5 Ru6 Ru5 131.9(2) . . ?
C13 Ru6 Ru5 42.85(16) . . ?
C8 Ru6 Sb 125.62(19) . . ?
C10 Ru6 Sb 135.1(2) . . ?
C5 Ru6 Sb 77.4(2) . . ?
C13 Ru6 Sb 97.57(16) . . ?
Ru5 Ru6 Sb 55.334(14) . . ?
C8 Ru6 Ru4 76.12(19) . . ?
C10 Ru6 Ru4 164.6(2) . . ?
C5 Ru6 Ru4 97.4(2) . . ?
C13 Ru6 Ru4 80.27(16) . . ?
Ru5 Ru6 Ru4 61.806(16) . . ?
Sb Ru6 Ru4 52.140(15) . . ?
C8 Ru6 Ru3 178.1(2) . . ?
C10 Ru6 Ru3 82.5(2) . . ?
C5 Ru6 Ru3 84.6(2) . . ?
C13 Ru6 Ru3 91.31(15) . . ?
Ru5 Ru6 Ru3 61.445(15) . . ?
Sb Ru6 Ru3 52.750(14) . . ?
Ru4 Ru6 Ru3 102.01(2) . . ?
C25 O21 C24 111.6(6) . . ?
C25 O21 K1 120.8(4) . . ?
C24 O21 K1 116.5(4) . . ?
C22 O22 C23 110.4(6) . . ?
C22 O22 K1 114.5(4) . . ?
C23 O22 K1 110.2(4) . . ?
C28 O23 C29 110.6(6) . . ?
C28 O23 K1 118.4(4) . . ?
C29 O23 K1 114.1(4) . . ?
C30 O24 C31 111.8(6) . . ?
C30 O24 K1 116.7(4) . . ?
C31 O24 K1 117.5(4) . . ?
C35 O25 C34 109.7(5) . . ?
C35 O25 K1 113.6(4) . . ?
C34 O25 K1 115.8(4) . . ?
C37 O26 C36 110.6(5) . . ?
C37 O26 K1 119.9(4) . . ?
C36 O26 K1 113.5(4) . . ?
C42 O31 C43 110.2(6) . . ?
C42 O31 K2 117.4(5) . . ?
C43 O31 K2 113.9(4) . . ?
C44 O32 C45 109.7(6) . . ?
C44 O32 K2 115.9(4) . . ?
C45 O32 K2 117.4(4) . . ?
C49 O33 C48 111.5(6) . . ?
C49 O33 K2 116.5(4) . . ?
C48 O33 K2 117.4(4) . . ?
C51 O34 C50 111.1(6) . . ?
C51 O34 K2 116.8(5) . . ?
C50 O34 K2 115.2(4) . . ?
C55 O35 C54 111.1(5) . . ?
C55 O35 K2 113.6(4) . . ?
C54 O35 K2 116.2(4) . . ?
C57 O36 C56 110.4(5) . . ?
C57 O36 K2 119.6(4) . . ?
C56 O36 K2 112.5(4) . . ?
C63 O41B C62 111.4(10) . . ?
C63 O41B K3 119.8(9) . . ?
C62 O41B K3 112.2(6) . . ?
C65 O42 C64 113.7(8) . . ?
C65 O42 K3 118.3(9) . . ?
C64 O42 K3 104.6(5) . . ?
C69B O43 C68 116.7(9) . . ?
C69B O43 C69A 37.0(10) . . ?
C68 O43 C69A 134.9(10) . . ?
C69B O43 K3 117.2(7) . . ?
C68 O43 K3 115.8(5) . . ?
C69A O43 K3 109.1(8) . . ?
C71 O44A C70 108.9(11) . . ?
C71 O44A K3 112.9(9) . . ?
C70 O44A K3 106.1(8) . . ?
C70 O44B C71 108.0(8) . . ?
C70 O44B K3 122.9(7) . . ?
C71 O44B K3 112.6(6) . . ?
C75 O45A C74A 112.7(11) . . ?
C75 O45A K3 109.5(7) . . ?
C74A O45A K3 112.8(9) . . ?
C74B O45B C73B 87.7(12) . . ?
C74B O45B K3 92.5(10) . . ?
C73B O45B K3 103.6(7) . . ?
C76 O46 C77 116.5(8) . . ?
C76 O46 K3 113.7(6) . . ?
C77 O46 K3 108.4(5) . . ?
C27 N1 C21 112.9(6) . . ?
C27 N1 C33 108.6(5) . . ?
C21 N1 C33 107.9(6) . . ?
C27 N1 K1 109.6(4) . . ?
C21 N1 K1 105.5(4) . . ?
C33 N1 K1 112.5(4) . . ?
C26 N2 C32 110.8(7) . . ?
C26 N2 C38 111.2(6) . . ?
C32 N2 C38 110.1(7) . . ?
C26 N2 K1 109.5(5) . . ?
C32 N2 K1 109.3(4) . . ?
C38 N2 K1 105.8(4) . . ?
C47 N3 C53 110.5(6) . . ?
C47 N3 C41 109.9(6) . . ?
C53 N3 C41 108.6(6) . . ?
C47 N3 K2 108.7(4) . . ?
C53 N3 K2 106.7(4) . . ?
C41 N3 K2 112.3(4) . . ?
C52 N4 C46 110.7(6) . . ?
C52 N4 C58 109.5(6) . . ?
C46 N4 C58 109.6(6) . . ?
C52 N4 K2 107.9(4) . . ?
C46 N4 K2 108.9(4) . . ?
C58 N4 K2 110.3(4) . . ?
C67 N5A C73A 147.8(15) . . ?
C67 N5A C61 101.0(12) . . ?
C73A N5A C61 109.4(14) . . ?
C61 N5B C67 121.9(11) . . ?
C61 N5B C73B 105.6(11) . . ?
C67 N5B C73B 94.4(11) . . ?
C61 N5B K3 117.4(9) . . ?
C67 N5B K3 110.1(6) . . ?
C73B N5B K3 102.6(7) . . ?
C78A N6 C66A 112(2) . . ?
C78A N6 C78B 30.2(17) . . ?
C66A N6 C78B 92.6(18) . . ?
C78A N6 C72 123(2) . . ?
C66A N6 C72 105.0(15) . . ?
C78B N6 C72 109.8(11) . . ?
C78A N6 C66B 122(2) . . ?
C66A N6 C66B 31.1(15) . . ?
C78B N6 C66B 115.9(12) . . ?
C72 N6 C66B 112.1(10) . . ?
C78A N6 K3 82.9(19) . . ?
C66A N6 K3 131.0(16) . . ?
C78B N6 K3 113.0(10) . . ?
C72 N6 K3 104.3(7) . . ?
C66B N6 K3 100.9(7) . . ?
O1 C1 Ru1 173.4(8) . . ?
O2 C2 Ru2 172.0(6) . . ?
O3 C3 Ru2 168.9(8) . . ?
O4 C4 Ru4 177.9(6) . . ?
O5 C5 Ru6 172.4(7) . . ?
O6 C6 Ru1 174.6(6) . . ?
O7 C7 Ru1 177.4(7) . . ?
O8 C8 Ru6 173.2(6) . . ?
O9 C9 Ru3 176.7(7) . . ?
O10 C10 Ru6 173.2(6) . . ?
O11 C11 Ru3 140.1(6) . . ?
O11 C11 Ru2 132.7(5) . . ?
Ru3 C11 Ru2 87.2(2) . . ?
O12 C12 Ru4 174.6(6) . . ?
O13 C13 Ru5 140.5(5) . . ?
O13 C13 Ru6 131.9(5) . . ?
Ru5 C13 Ru6 87.7(2) . . ?
O14 C14 Ru2 173.8(6) . . ?
O15 C15 Ru4 177.0(6) . . ?
O16 C16 Ru5 175.9(6) . . ?
O17 C17 Ru5 177.3(6) . . ?
O18 C18 Ru3 174.8(6) . . ?
C22 C21 N1 114.1(6) . . ?
O22 C22 C21 109.3(6) . . ?
O22 C23 C24 110.2(7) . . ?
O21 C24 C23 109.3(7) . . ?
O21 C25 C26 109.3(6) . . ?
N2 C26 C25 114.1(7) . . ?
N1 C27 C28 114.5(6) . . ?
O23 C28 C27 109.7(6) . . ?
O23 C29 C30 109.5(6) . . ?
O24 C30 C29 111.2(6) . . ?
O24 C31 C32 108.9(6) . . ?
N2 C32 C31 115.5(7) . . ?
N1 C33 C34 112.7(6) . . ?
O25 C34 C33 107.9(5) . . ?
O25 C35 C36 108.7(5) . . ?
O26 C36 C35 107.9(5) . . ?
O26 C37 C38 109.7(6) . . ?
N2 C38 C37 113.9(6) . . ?
C42 C41 N3 111.1(7) . . ?
O31 C42 C41 110.9(7) . . ?
C44 C43 O31 112.0(7) . . ?
O32 C44 C43 112.2(7) . . ?
O32 C45 C46 109.5(6) . . ?
N4 C46 C45 114.1(6) . . ?
N3 C47 C48 115.0(7) . . ?
O33 C48 C47 111.1(7) . . ?
O33 C49 C50 109.7(7) . . ?
O34 C50 C49 110.0(7) . . ?
O34 C51 C52 109.9(7) . . ?
N4 C52 C51 115.2(7) . . ?
N3 C53 C54 114.5(6) . . ?
O35 C54 C53 111.4(6) . . ?
O35 C55 C56 110.1(5) . . ?
O36 C56 C55 109.5(6) . . ?
O36 C57 C58 107.7(6) . . ?
N4 C58 C57 114.0(6) . . ?
N5B C61 C62 119.0(11) . . ?
N5B C61 N5A 31.3(8) . . ?
C62 C61 N5A 122.7(11) . . ?
C61 C62 O41A 94.8(11) . . ?
C61 C62 O41B 112.4(9) . . ?
O41A C62 O41B 39.1(9) . . ?
O41B C63 C64 101.1(12) . . ?
C63 C64 O42 107.4(9) . . ?
O42 C65 C66B 106.1(12) . . ?
N6 C66A C78A 31.3(13) . . ?
C65 C66B N6 111.9(12) . . ?
C68 C67 N5B 103.3(9) . . ?
C68 C67 N5A 135.0(11) . . ?
N5B C67 N5A 31.7(8) . . ?
O43 C68 C67 117.5(7) . . ?
C70 C69A O43 120.6(18) . . ?
O43 C69B C70 111.0(11) . . ?
C69A C70 O44B 119.9(13) . . ?
C69A C70 O44A 110.8(14) . . ?
O44B C70 O44A 40.6(6) . . ?
C69A C70 C69B 35.4(12) . . ?
O44B C70 C69B 106.6(9) . . ?
O44A C70 C69B 124.2(9) . . ?
O44A C71 C72 128.0(11) . . ?
O44A C71 O44B 40.3(7) . . ?
C72 C71 O44B 102.1(8) . . ?
N6 C72 C71 106.1(9) . . ?
N5A C73A C74A 92.5(17) . . ?
O45B C73B N5B 99.1(9) . . ?
O45A C74A C73A 95.9(14) . . ?
O45B C74B C75 95.3(13) . . ?
O45B C74B K3 65.0(8) . . ?
C75 C74B K3 87.7(7) . . ?
O45A C75 C76 109.1(8) . . ?
O45A C75 C74B 36.1(7) . . ?
C76 C75 C74B 142.6(9) . . ?
O46 C76 C75 107.4(9) . . ?
C78B C77 C78A 28.2(10) . . ?
C78B C77 O46 111.9(10) . . ?
C78A C77 O46 90.9(12) . . ?
N6 C78A C77 142(3) . . ?
N6 C78A C66A 36.7(15) . . ?
C77 C78A C66A 108.8(18) . . ?
N6 C78A K3 78.8(19) . . ?
C77 C78A K3 104.6(13) . . ?
C66A C78A K3 103.5(15) . . ?
N6 C78B C77 111.0(16) . . ?
C86 C81 C82 120.2(9) . . ?
C83 C82 C81 117.9(9) . . ?
C83 C82 C87A 106.7(13) . . ?
C81 C82 C87A 135.2(13) . . ?
C83 C82 C87B 129.7(12) . . ?
C81 C82 C87B 112.4(11) . . ?
C87A C82 C87B 22.9(11) . . ?
C82 C83 C84 120.4(9) . . ?
C85 C84 C83 122.5(10) . . ?
C84 C85 C86 117.3(10) . . ?
C81 C86 C85 121.6(9) . . ?
C90 C89 C94 119.4(9) . . ?
C90 C89 C88 120.9(9) . . ?
C94 C89 C88 119.7(10) . . ?
C89 C90 C91 119.7(10) . . ?
C92 C91 C90 118.8(10) . . ?
C93 C92 C91 121.6(10) . . ?
C92 C93 C94 119.3(10) . . ?
C93 C94 C89 121.2(10) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.290
_refine_diff_density_min         -0.930
_refine_diff_density_rms         0.110
