# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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. 
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#######################################################################

data_UM3072
_database_code_depnum_ccdc_archive 'CCDC 1859496'
_audit_update_record             
;
2018-07-31 deposited with the CCDC.
2018-09-26 downloaded from the CCDC.
;

_audit_creation_method           'SHELXL-2015 & ZCIF'
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        'Ru2Sb6 cluster'
_chemical_formula_moiety         
'C20 H30 Ru2 Sb6, 2(C18 H36 K N2 O6), C7 H8, C5 H5 N'
_chemical_formula_sum            'C68 H115 K2 N5 O12 Ru2 Sb6'
_chemical_formula_weight         2205.48

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

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

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

_cell_length_a                   13.1437(9)
_cell_length_b                   13.9600(10)
_cell_length_c                   23.4840(16)
_cell_angle_alpha                88.5283(11)
_cell_angle_beta                 84.7546(11)
_cell_angle_gamma                79.2296(11)
_cell_volume                     4215.2(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    25925
_cell_measurement_theta_min      2.3
_cell_measurement_theta_max      31.0

_exptl_crystal_description       plate
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_F_000             2172
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.09
_exptl_absorpt_coefficient_mu    2.393
_shelx_estimated_absorpt_T_min   0.575
_shelx_estimated_absorpt_T_max   0.813
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.659
_exptl_absorpt_correction_T_max  0.806
_exptl_absorpt_process_details   'SADABS (Krause et al, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Smart Apex II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            62159
_diffrn_reflns_av_unetI/netI     0.0280
_diffrn_reflns_av_R_equivalents  0.0207
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.583
_diffrn_reflns_theta_max         30.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             24389
_reflns_number_gt                19581
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex2 (Bruker, 2010)'
_computing_cell_refinement       'Apex2, Saint'
_computing_data_reduction        'Apex2, Saint'
_computing_structure_solution    'ShelXS-2015 (Sheldrick, 2015c)'
_computing_structure_refinement  'ShelXL-2015 (Sheldrick, 2015c)'
_computing_molecular_graphics    'Olex2 (Dolomanov, 2009)'
_computing_publication_material  'Apex2, SHELXL-2015, Platon (Spek, 2015)'
_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)+(0.0090P)²+4.9791P] 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         24389
_refine_ls_number_parameters     906
_refine_ls_number_restraints     333
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0279
_refine_ls_wR_factor_ref         0.0551
_refine_ls_wR_factor_gt          0.0527
_refine_ls_goodness_of_fit_ref   1.157
_refine_ls_restrained_S_all      1.161
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.59045(2) 0.29770(2) 0.77395(2) 0.02246(4) Uani 1 1 d . . . . .
Ru2 Ru 0.89079(2) 0.18787(2) 0.68667(2) 0.02065(4) Uani 1 1 d . . . . .
Sb1 Sb 0.61898(2) 0.10154(2) 0.78734(2) 0.02585(4) Uani 1 1 d . . . . .
Sb2 Sb 0.78067(2) 0.04351(2) 0.69828(2) 0.02558(4) Uani 1 1 d . . . . .
Sb3 Sb 0.67941(2) 0.23037(2) 0.67010(2) 0.02472(4) Uani 1 1 d . . . . .
Sb4 Sb 0.70878(2) 0.21057(2) 0.85626(2) 0.02676(4) Uani 1 1 d . . . . .
Sb5 Sb 0.90979(2) 0.20319(2) 0.79903(2) 0.02548(4) Uani 1 1 d . . . . .
Sb6 Sb 0.77637(2) 0.34819(2) 0.74431(2) 0.02449(4) Uani 1 1 d . . . . .
C10 C 0.4930(2) 0.4338(2) 0.74621(13) 0.0305(6) Uani 1 1 d . . . . .
C11 C 0.4346(2) 0.3569(2) 0.74632(12) 0.0301(6) Uani 1 1 d . . . . .
C12 C 0.4204(2) 0.3231(2) 0.80374(14) 0.0393(7) Uani 1 1 d . . . . .
C13 C 0.4707(3) 0.3773(3) 0.83870(13) 0.0452(9) Uani 1 1 d . . . . .
C14 C 0.5162(2) 0.4459(2) 0.80327(15) 0.0404(8) Uani 1 1 d . . . . .
C15 C 0.5127(3) 0.4976(3) 0.69532(17) 0.0538(10) Uani 1 1 d . . . . .
H15A H 0.448465 0.543021 0.688560 0.081 Uiso 1 1 calc R U . . .
H15B H 0.535938 0.456843 0.661526 0.081 Uiso 1 1 calc R U . . .
H15C H 0.566652 0.534428 0.702730 0.081 Uiso 1 1 calc R U . . .
C16 C 0.3831(3) 0.3273(3) 0.69696(16) 0.0537(10) Uani 1 1 d . . . . .
H16A H 0.370340 0.260750 0.703333 0.080 Uiso 1 1 calc R U . . .
H16B H 0.428475 0.329777 0.661639 0.080 Uiso 1 1 calc R U . . .
H16C H 0.316887 0.372006 0.693625 0.080 Uiso 1 1 calc R U . . .
C17 C 0.3545(3) 0.2500(3) 0.8241(2) 0.0736(14) Uani 1 1 d . . . . .
H17A H 0.282425 0.283475 0.832812 0.110 Uiso 1 1 calc R U . . .
H17B H 0.380676 0.217151 0.858663 0.110 Uiso 1 1 calc R U . . .
H17C H 0.357183 0.201747 0.794189 0.110 Uiso 1 1 calc R U . . .
C18 C 0.4667(4) 0.3719(4) 0.90313(16) 0.0916(19) Uani 1 1 d . . . . .
H18A H 0.402763 0.413282 0.919546 0.137 Uiso 1 1 calc R U . . .
H18B H 0.527073 0.394533 0.915860 0.137 Uiso 1 1 calc R U . . .
H18C H 0.467815 0.304281 0.915802 0.137 Uiso 1 1 calc R U . . .
C19 C 0.5707(3) 0.5234(3) 0.8227(2) 0.0808(17) Uani 1 1 d . . . . .
H19A H 0.622742 0.536577 0.792347 0.121 Uiso 1 1 calc R U . . .
H19B H 0.605067 0.500812 0.857181 0.121 Uiso 1 1 calc R U . . .
H19C H 0.519771 0.583201 0.831139 0.121 Uiso 1 1 calc R U . . .
C20 C 0.9485(2) 0.2587(2) 0.60919(12) 0.0309(6) Uani 1 1 d . . . . .
C21 C 0.9534(2) 0.1574(2) 0.59770(11) 0.0270(6) Uani 1 1 d . . . . .
C22 C 1.0239(2) 0.10134(19) 0.63437(12) 0.0269(6) Uani 1 1 d . . . . .
C23 C 1.0627(2) 0.1680(2) 0.66817(12) 0.0296(6) Uani 1 1 d . . . . .
C24 C 1.0162(2) 0.2647(2) 0.65287(12) 0.0325(7) Uani 1 1 d . . . . .
C25 C 0.8900(3) 0.3431(3) 0.57828(15) 0.0536(10) Uani 1 1 d . . . . .
H25A H 0.859806 0.394851 0.605559 0.080 Uiso 1 1 calc R U . . .
H25B H 0.834289 0.321997 0.559613 0.080 Uiso 1 1 calc R U . . .
H25C H 0.937434 0.367796 0.549356 0.080 Uiso 1 1 calc R U . . .
C26 C 0.9031(3) 0.1177(3) 0.55090(13) 0.0443(8) Uani 1 1 d . . . . .
H26A H 0.947785 0.116607 0.515055 0.066 Uiso 1 1 calc R U . . .
H26B H 0.835522 0.159188 0.546142 0.066 Uiso 1 1 calc R U . . .
H26C H 0.893242 0.051254 0.560960 0.066 Uiso 1 1 calc R U . . .
C27 C 1.0595(2) -0.0068(2) 0.63237(15) 0.0422(8) Uani 1 1 d . . . . .
H27A H 1.117814 -0.022875 0.602982 0.063 Uiso 1 1 calc R U . . .
H27B H 1.002150 -0.037829 0.623158 0.063 Uiso 1 1 calc R U . . .
H27C H 1.082030 -0.030559 0.669672 0.063 Uiso 1 1 calc R U . . .
C28 C 1.1479(2) 0.1415(3) 0.70778(14) 0.0487(9) Uani 1 1 d . . . . .
H28A H 1.146852 0.076090 0.723726 0.073 Uiso 1 1 calc R U . . .
H28B H 1.136767 0.188759 0.738922 0.073 Uiso 1 1 calc R U . . .
H28C H 1.215348 0.142466 0.686460 0.073 Uiso 1 1 calc R U . . .
C29 C 1.0403(3) 0.3577(3) 0.67460(16) 0.0547(11) Uani 1 1 d . . . . .
H29A H 1.065880 0.346036 0.712552 0.082 Uiso 1 1 calc R U . . .
H29B H 0.977148 0.407880 0.677144 0.082 Uiso 1 1 calc R U . . .
H29C H 1.093713 0.379646 0.648249 0.082 Uiso 1 1 calc R U . . .
K1 K 0.58373(5) 0.78603(4) 0.58343(3) 0.02816(12) Uani 1 1 d . . . . .
C1A C 0.6725(3) 0.6044(3) 0.46479(17) 0.0553(10) Uani 1 1 d . . . . .
H1A1 H 0.683968 0.547881 0.491311 0.066 Uiso 1 1 calc R U . . .
H1A2 H 0.707233 0.582758 0.426880 0.066 Uiso 1 1 calc R U . . .
C2A C 0.5582(3) 0.6342(3) 0.45964(15) 0.0527(9) Uani 1 1 d . . . . .
H2A1 H 0.544835 0.693964 0.435787 0.063 Uiso 1 1 calc R U . . .
H2A2 H 0.532282 0.581876 0.440900 0.063 Uiso 1 1 calc R U . . .
O3A O 0.50504(18) 0.65202(17) 0.51507(10) 0.0446(5) Uani 1 1 d . . . . .
C4A C 0.3956(3) 0.6740(3) 0.51130(15) 0.0499(9) Uani 1 1 d . . . . .
H4A1 H 0.372772 0.619271 0.493204 0.060 Uiso 1 1 calc R U . . .
H4A2 H 0.377498 0.733168 0.487399 0.060 Uiso 1 1 calc R U . . .
C5A C 0.3419(3) 0.6905(3) 0.56975(16) 0.0512(9) Uani 1 1 d . . . . .
H5A1 H 0.265777 0.698709 0.568064 0.061 Uiso 1 1 calc R U . . .
H5A2 H 0.364466 0.633522 0.594559 0.061 Uiso 1 1 calc R U . . .
O6A O 0.36685(17) 0.77586(16) 0.59279(10) 0.0412(5) Uani 1 1 d . . . . .
C7A C 0.3130(2) 0.7975(3) 0.64756(15) 0.0448(8) Uani 1 1 d . . . . .
H7A1 H 0.336683 0.744991 0.675100 0.054 Uiso 1 1 calc R U . . .
H7A2 H 0.237402 0.802240 0.645372 0.054 Uiso 1 1 calc R U . . .
C8A C 0.3347(2) 0.8927(3) 0.66712(15) 0.0429(8) Uani 1 1 d . . . . .
H8A1 H 0.315957 0.943099 0.637532 0.051 Uiso 1 1 calc R U . . .
H8A2 H 0.289540 0.912624 0.702493 0.051 Uiso 1 1 calc R U . . .
N9A N 0.44337(19) 0.88978(19) 0.67837(10) 0.0351(6) Uani 1 1 d . . . . .
C10A C 0.4657(3) 0.8386(3) 0.73260(14) 0.0501(9) Uani 1 1 d . . . . .
H10A H 0.434147 0.779347 0.734731 0.060 Uiso 1 1 calc R U . . .
H10B H 0.432179 0.881330 0.764631 0.060 Uiso 1 1 calc R U . . .
C11A C 0.5797(3) 0.8094(3) 0.74011(14) 0.0542(10) Uani 1 1 d . . . . .
H11A H 0.613444 0.867186 0.735673 0.065 Uiso 1 1 calc R U . . .
H11B H 0.589396 0.781662 0.778900 0.065 Uiso 1 1 calc R U . . .
O12A O 0.62553(17) 0.73897(18) 0.69837(9) 0.0434(5) Uani 1 1 d . . . . .
C13A C 0.7343(3) 0.7091(3) 0.70333(16) 0.0573(11) Uani 1 1 d . . . . .
H13A H 0.745864 0.685151 0.742690 0.069 Uiso 1 1 calc R U . . .
H13B H 0.769618 0.765430 0.695783 0.069 Uiso 1 1 calc R U . . .
C14A C 0.7786(3) 0.6304(3) 0.66179(17) 0.0546(10) Uani 1 1 d . . . . .
H14A H 0.852008 0.604421 0.668485 0.066 Uiso 1 1 calc R U . . .
H14B H 0.739357 0.576369 0.667132 0.066 Uiso 1 1 calc R U . . .
O15A O 0.77305(17) 0.66782(16) 0.60529(10) 0.0430(5) Uani 1 1 d . . . . .
C16A C 0.8155(3) 0.5941(2) 0.56419(18) 0.0547(10) Uani 1 1 d . . . . .
H16D H 0.770521 0.544472 0.565024 0.066 Uiso 1 1 calc R U . . .
H16E H 0.885397 0.561352 0.573859 0.066 Uiso 1 1 calc R U . . .
C17A C 0.8232(3) 0.6385(3) 0.50565(17) 0.0538(9) Uani 1 1 d . . . . .
H17D H 0.866429 0.689424 0.505752 0.065 Uiso 1 1 calc R U . . .
H17E H 0.859029 0.587520 0.478404 0.065 Uiso 1 1 calc R U . . .
N18A N 0.7220(2) 0.6821(2) 0.48549(12) 0.0413(6) Uani 1 1 d . . . . .
C19A C 0.7354(3) 0.7537(3) 0.43923(15) 0.0506(9) Uani 1 1 d . . . . .
H19D H 0.670592 0.769385 0.419742 0.061 Uiso 1 1 calc R U . . .
H19E H 0.791824 0.723628 0.410747 0.061 Uiso 1 1 calc R U . . .
C20A C 0.7609(3) 0.8461(3) 0.45980(15) 0.0462(8) Uani 1 1 d . . . . .
H20A H 0.822407 0.831085 0.482081 0.055 Uiso 1 1 calc R U . . .
H20B H 0.777556 0.887558 0.426706 0.055 Uiso 1 1 calc R U . . .
O21A O 0.67437(15) 0.89656(15) 0.49466(8) 0.0330(4) Uani 1 1 d . . . . .
C22A C 0.6963(3) 0.9827(2) 0.51811(14) 0.0409(8) Uani 1 1 d . . . . .
H22A H 0.726759 1.021450 0.487437 0.049 Uiso 1 1 calc R U . . .
H22B H 0.747473 0.965006 0.546813 0.049 Uiso 1 1 calc R U . . .
C23A C 0.5995(3) 1.0414(2) 0.54537(13) 0.0379(7) Uani 1 1 d . . . . .
H23A H 0.614372 1.101801 0.561269 0.045 Uiso 1 1 calc R U . . .
H23B H 0.548350 1.059843 0.516728 0.045 Uiso 1 1 calc R U . . .
O24A O 0.55848(16) 0.98468(14) 0.58987(8) 0.0337(4) Uani 1 1 d . . . . .
C25A C 0.4742(3) 1.0401(2) 0.62439(14) 0.0393(7) Uani 1 1 d . . . . .
H25D H 0.409122 1.045747 0.605384 0.047 Uiso 1 1 calc R U . . .
H25E H 0.487646 1.106601 0.629802 0.047 Uiso 1 1 calc R U . . .
C26A C 0.4633(3) 0.9897(2) 0.68135(13) 0.0425(8) Uani 1 1 d . . . . .
H26D H 0.527872 0.987584 0.700386 0.051 Uiso 1 1 calc R U . . .
H26E H 0.405603 1.028955 0.705516 0.051 Uiso 1 1 calc R U . . .
K2 K 0.01454(4) 0.69766(4) 0.89846(2) 0.02519(11) Uani 1 1 d . . . . .
C1B C 0.2785(2) 0.6367(2) 0.81708(14) 0.0411(8) Uani 1 1 d . . . . .
H1B1 H 0.355444 0.624899 0.812228 0.049 Uiso 1 1 calc R U . . .
H1B2 H 0.252688 0.674419 0.783369 0.049 Uiso 1 1 calc R U . . .
C2B C 0.2432(2) 0.5404(2) 0.81863(15) 0.0405(7) Uani 1 1 d . . . . .
H2B1 H 0.274484 0.501979 0.784454 0.049 Uiso 1 1 calc R U . . .
H2B2 H 0.265638 0.502851 0.853081 0.049 Uiso 1 1 calc R U . . .
O3B O 0.13265(15) 0.55794(14) 0.81971(8) 0.0302(4) Uani 1 1 d . . . . .
C4B C 0.0959(2) 0.4682(2) 0.81936(13) 0.0368(7) Uani 1 1 d . . . . .
H4B1 H 0.113181 0.430377 0.854550 0.044 Uiso 1 1 calc R U . . .
H4B2 H 0.130264 0.429033 0.786045 0.044 Uiso 1 1 calc R U . . .
C5B C -0.0188(3) 0.4882(2) 0.81624(13) 0.0391(7) Uani 1 1 d . . . . .
H5B1 H -0.036428 0.529093 0.782191 0.047 Uiso 1 1 calc R U . . .
H5B2 H -0.043690 0.426107 0.812662 0.047 Uiso 1 1 calc R U . . .
O6B O -0.06831(15) 0.53757(15) 0.86685(8) 0.0331(4) Uani 1 1 d . . . . .
C7B C -0.1780(2) 0.5421(2) 0.86954(14) 0.0383(7) Uani 1 1 d . . . . .
H7B1 H -0.193522 0.475346 0.869912 0.046 Uiso 1 1 calc R U . . .
H7B2 H -0.206210 0.577217 0.835597 0.046 Uiso 1 1 calc R U . . .
C8B C -0.2278(2) 0.5950(2) 0.92365(14) 0.0393(7) Uani 1 1 d . . . . .
H8B1 H -0.303545 0.595725 0.926318 0.047 Uiso 1 1 calc R U . . .
H8B2 H -0.199695 0.558108 0.957083 0.047 Uiso 1 1 calc R U . . .
N9B N -0.21104(19) 0.69552(19) 0.92666(10) 0.0341(5) Uani 1 1 d . . . . .
C10B C -0.2415(3) 0.7340(3) 0.98491(14) 0.0456(8) Uani 1 1 d . . . . .
H10C H -0.311923 0.721706 0.997441 0.055 Uiso 1 1 calc R U . . .
H10D H -0.244926 0.805429 0.983919 0.055 Uiso 1 1 calc R U . . .
C11B C -0.1682(3) 0.6896(3) 1.02787(13) 0.0465(8) Uani 1 1 d . . . . .
H11C H -0.193411 0.717004 1.066147 0.056 Uiso 1 1 calc R U . . .
H11D H -0.165253 0.618193 1.029970 0.056 Uiso 1 1 calc R U . . .
O12B O -0.06755(16) 0.70962(16) 1.01152(8) 0.0361(5) Uani 1 1 d . . . . .
C13B C 0.0034(3) 0.6732(3) 1.05291(13) 0.0452(8) Uani 1 1 d . . . . .
H13C H 0.016077 0.600998 1.053350 0.054 Uiso 1 1 calc R U . . .
H13D H -0.026776 0.696229 1.091408 0.054 Uiso 1 1 calc R U . . .
C14B C 0.1032(3) 0.7076(3) 1.03863(13) 0.0464(8) Uani 1 1 d . . . . .
H14C H 0.089748 0.779649 1.035562 0.056 Uiso 1 1 calc R U . . .
H14D H 0.149570 0.688193 1.069502 0.056 Uiso 1 1 calc R U . . .
O15B O 0.15265(16) 0.66654(16) 0.98568(9) 0.0369(5) Uani 1 1 d . . . . .
C16B C 0.2523(3) 0.6925(3) 0.97453(14) 0.0443(8) Uani 1 1 d . . . . .
H16F H 0.297550 0.664709 1.004623 0.053 Uiso 1 1 calc R U . . .
H16G H 0.245355 0.764370 0.974914 0.053 Uiso 1 1 calc R U . . .
C17B C 0.3004(2) 0.6540(3) 0.91698(15) 0.0458(8) Uani 1 1 d . . . . .
H17F H 0.371894 0.667625 0.911086 0.055 Uiso 1 1 calc R U . . .
H17G H 0.305630 0.582320 0.917152 0.055 Uiso 1 1 calc R U . . .
N18B N 0.24273(19) 0.69551(18) 0.86869(11) 0.0338(5) Uani 1 1 d . . . . .
C19B C 0.2561(3) 0.7964(2) 0.85823(14) 0.0423(8) Uani 1 1 d . . . . .
H19F H 0.328127 0.796256 0.841564 0.051 Uiso 1 1 calc R U . . .
H19G H 0.246879 0.830650 0.895272 0.051 Uiso 1 1 calc R U . . .
C20B C 0.1822(3) 0.8520(2) 0.81906(15) 0.0460(8) Uani 1 1 d . . . . .
H20C H 0.197778 0.918239 0.812153 0.055 Uiso 1 1 calc R U . . .
H20D H 0.190126 0.818440 0.781857 0.055 Uiso 1 1 calc R U . . .
O21B O 0.07860(17) 0.85865(15) 0.84425(9) 0.0393(5) Uani 1 1 d . . . . .
C22B C 0.0061(3) 0.9183(2) 0.81135(14) 0.0460(8) Uani 1 1 d . . . . .
H22C H 0.003504 0.886432 0.774450 0.055 Uiso 1 1 calc R U . . .
H22D H 0.027803 0.981755 0.803211 0.055 Uiso 1 1 calc R U . . .
C23B C -0.0989(3) 0.9341(2) 0.84350(14) 0.0431(8) Uani 1 1 d . . . . .
H23C H -0.095804 0.963319 0.881123 0.052 Uiso 1 1 calc R U . . .
H23D H -0.148932 0.979515 0.821909 0.052 Uiso 1 1 calc R U . . .
O24B O -0.13267(18) 0.84216(15) 0.85146(9) 0.0417(5) Uani 1 1 d . . . . .
C25B C -0.2380(3) 0.8560(3) 0.87477(16) 0.0490(9) Uani 1 1 d . . . . .
H25F H -0.283333 0.895346 0.848002 0.059 Uiso 1 1 calc R U . . .
H25G H -0.246045 0.891550 0.911337 0.059 Uiso 1 1 calc R U . . .
C26B C -0.2693(3) 0.7581(3) 0.88474(16) 0.0464(8) Uani 1 1 d . . . . .
H26F H -0.344228 0.768534 0.897949 0.056 Uiso 1 1 calc R U . . .
H26G H -0.259736 0.723365 0.847859 0.056 Uiso 1 1 calc R U . . .
N1P N -0.0070(3) 0.7601(3) 0.67090(18) 0.0737(11) Uani 1 1 d . . . . .
C2P C -0.0003(4) 0.7440(4) 0.61236(19) 0.0677(13) Uani 1 1 d . . . . .
H2P H -0.037777 0.790186 0.587928 0.081 Uiso 1 1 calc R U . . .
C3P C 0.0618(4) 0.6597(4) 0.59010(17) 0.0757(16) Uani 1 1 d . . . . .
H3P H 0.066076 0.649310 0.550063 0.091 Uiso 1 1 calc R U . . .
C4P C 0.1154(3) 0.5930(3) 0.62234(19) 0.0580(10) Uani 1 1 d . . . . .
H4P H 0.157337 0.535742 0.606044 0.070 Uiso 1 1 calc R U . . .
C5P C 0.1086(3) 0.6086(3) 0.67747(19) 0.0592(10) Uani 1 1 d . . . . .
H5P H 0.146629 0.560680 0.700765 0.071 Uiso 1 1 calc R U . . .
C6P C 0.0508(3) 0.6887(3) 0.70314(16) 0.0506(9) Uani 1 1 d . . . . .
H6P H 0.049731 0.696257 0.743289 0.061 Uiso 1 1 calc R U . . .
C10T C 0.4594(9) 0.9157(9) 0.9568(6) 0.146(4) Uani 0.627(6) 1 d . U P A 1
H10E H 0.493535 0.882200 0.922010 0.220 Uiso 0.627(6) 1 calc R U P A 1
H10F H 0.453450 0.867805 0.987531 0.220 Uiso 0.627(6) 1 calc R U P A 1
H10G H 0.500789 0.962391 0.968218 0.220 Uiso 0.627(6) 1 calc R U P A 1
C11T C 0.3481(4) 0.9715(4) 0.9448(3) 0.0923(17) Uani 0.627(6) 1 d G U P A 1
C12T C 0.3243(5) 1.0222(5) 0.8946(3) 0.0832(17) Uani 0.627(6) 1 d G U P A 1
H12T H 0.377918 1.027769 0.865378 0.100 Uiso 0.627(6) 1 calc R U P A 1
C13T C 0.2220(5) 1.0647(4) 0.8871(2) 0.087(2) Uani 0.627(6) 1 d G U P A 1
H13T H 0.205665 1.099417 0.852744 0.104 Uiso 0.627(6) 1 calc R U P A 1
C14T C 0.1435(4) 1.0566(4) 0.9298(3) 0.0865(19) Uani 0.627(6) 1 d G U P A 1
H14T H 0.073542 1.085668 0.924646 0.104 Uiso 0.627(6) 1 calc R U P A 1
C15T C 0.1673(5) 1.0059(5) 0.9800(2) 0.090(2) Uani 0.627(6) 1 d G U P A 1
H15T H 0.113671 1.000268 1.009182 0.108 Uiso 0.627(6) 1 calc R U P A 1
C16T C 0.2696(6) 0.9633(4) 0.9875(2) 0.0821(17) Uani 0.627(6) 1 d G U P A 1
H16T H 0.285923 0.928618 1.021817 0.099 Uiso 0.627(6) 1 calc R U P A 1
C20T C 0.0982(14) 1.0306(14) 0.9625(9) 0.118(5) Uani 0.373(6) 1 d . U P A 2
H20E H 0.076949 0.967128 0.968390 0.178 Uiso 0.373(6) 1 calc R U P A 2
H20F H 0.066831 1.063432 0.929272 0.178 Uiso 0.373(6) 1 calc R U P A 2
H20G H 0.074839 1.070734 0.996559 0.178 Uiso 0.373(6) 1 calc R U P A 2
C21T C 0.2134(7) 1.0161(8) 0.9525(5) 0.086(2) Uani 0.373(6) 1 d G U P A 2
C22T C 0.2665(9) 0.9617(8) 0.9947(4) 0.088(2) Uani 0.373(6) 1 d G U P A 2
H22T H 0.229386 0.944081 1.028752 0.106 Uiso 0.373(6) 1 calc R U P A 2
C23T C 0.3739(9) 0.9330(7) 0.9869(4) 0.090(2) Uani 0.373(6) 1 d G U P A 2
H23T H 0.410214 0.895859 1.015687 0.108 Uiso 0.373(6) 1 calc R U P A 2
C24T C 0.4282(7) 0.9588(8) 0.9370(5) 0.099(3) Uani 0.373(6) 1 d G U P A 2
H24T H 0.501617 0.939205 0.931715 0.119 Uiso 0.373(6) 1 calc R U P A 2
C25T C 0.3751(9) 1.0132(9) 0.8949(4) 0.090(3) Uani 0.373(6) 1 d G U P A 2
H25T H 0.412192 1.030775 0.860805 0.108 Uiso 0.373(6) 1 calc R U P A 2
C26T C 0.2677(9) 1.0418(7) 0.9027(4) 0.083(2) Uani 0.373(6) 1 d G U P A 2
H26T H 0.231364 1.078998 0.873869 0.099 Uiso 0.373(6) 1 calc R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C10 2.203(3) . ?
Ru1 C11 2.210(3) . ?
Ru1 C14 2.214(3) . ?
Ru1 C13 2.241(3) . ?
Ru1 C12 2.245(3) . ?
Ru1 Sb6 2.6945(3) . ?
Ru1 Sb1 2.7077(3) . ?
Ru1 Sb4 2.7123(3) . ?
Ru1 Sb3 2.7173(3) . ?
Ru2 C20 2.191(3) . ?
Ru2 C21 2.197(2) . ?
Ru2 C24 2.208(3) . ?
Ru2 C22 2.219(3) . ?
Ru2 C23 2.228(3) . ?
Ru2 Sb2 2.6871(3) . ?
Ru2 Sb5 2.6907(3) . ?
Ru2 Sb6 2.7619(3) . ?
Ru2 Sb3 2.7915(3) . ?
Sb1 Sb4 2.7342(3) . ?
Sb1 Sb2 2.8596(3) . ?
Sb2 Sb3 2.7909(3) . ?
Sb3 Sb6 2.9501(3) . ?
Sb4 Sb5 2.8378(3) . ?
Sb5 Sb6 2.7885(3) . ?
C10 C14 1.422(4) . ?
C10 C11 1.432(4) . ?
C10 C15 1.504(4) . ?
C11 C12 1.425(4) . ?
C11 C16 1.498(4) . ?
C12 C13 1.414(5) . ?
C12 C17 1.501(5) . ?
C13 C14 1.431(5) . ?
C13 C18 1.510(5) . ?
C14 C19 1.505(5) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C24 1.432(4) . ?
C20 C21 1.435(4) . ?
C20 C25 1.491(4) . ?
C21 C22 1.433(4) . ?
C21 C26 1.502(4) . ?
C22 C23 1.430(4) . ?
C22 C27 1.495(4) . ?
C23 C24 1.426(4) . ?
C23 C28 1.507(4) . ?
C24 C29 1.504(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
K1 O24A 2.737(2) . ?
K1 O15A 2.799(2) . ?
K1 O12A 2.840(2) . ?
K1 O21A 2.866(2) . ?
K1 O6A 2.869(2) . ?
K1 O3A 2.886(2) . ?
K1 N9A 2.981(3) . ?
K1 N18A 3.020(3) . ?
C1A N18A 1.478(4) . ?
C1A C2A 1.497(5) . ?
C1A H1A1 0.9900 . ?
C1A H1A2 0.9900 . ?
C2A O3A 1.425(4) . ?
C2A H2A1 0.9900 . ?
C2A H2A2 0.9900 . ?
O3A C4A 1.425(4) . ?
C4A C5A 1.488(5) . ?
C4A H4A1 0.9900 . ?
C4A H4A2 0.9900 . ?
C5A O6A 1.425(4) . ?
C5A H5A1 0.9900 . ?
C5A H5A2 0.9900 . ?
O6A C7A 1.421(4) . ?
C7A C8A 1.502(5) . ?
C7A H7A1 0.9900 . ?
C7A H7A2 0.9900 . ?
C8A N9A 1.469(4) . ?
C8A H8A1 0.9900 . ?
C8A H8A2 0.9900 . ?
N9A C10A 1.470(4) . ?
N9A C26A 1.471(4) . ?
C10A C11A 1.504(5) . ?
C10A H10A 0.9900 . ?
C10A H10B 0.9900 . ?
C11A O12A 1.418(4) . ?
C11A H11A 0.9900 . ?
C11A H11B 0.9900 . ?
O12A C13A 1.427(4) . ?
C13A C14A 1.487(6) . ?
C13A H13A 0.9900 . ?
C13A H13B 0.9900 . ?
C14A O15A 1.416(4) . ?
C14A H14A 0.9900 . ?
C14A H14B 0.9900 . ?
O15A C16A 1.428(4) . ?
C16A C17A 1.496(5) . ?
C16A H16D 0.9900 . ?
C16A H16E 0.9900 . ?
C17A N18A 1.471(4) . ?
C17A H17D 0.9900 . ?
C17A H17E 0.9900 . ?
N18A C19A 1.478(4) . ?
C19A C20A 1.495(5) . ?
C19A H19D 0.9900 . ?
C19A H19E 0.9900 . ?
C20A O21A 1.421(4) . ?
C20A H20A 0.9900 . ?
C20A H20B 0.9900 . ?
O21A C22A 1.423(4) . ?
C22A C23A 1.479(5) . ?
C22A H22A 0.9900 . ?
C22A H22B 0.9900 . ?
C23A O24A 1.422(3) . ?
C23A H23A 0.9900 . ?
C23A H23B 0.9900 . ?
O24A C25A 1.425(4) . ?
C25A C26A 1.503(5) . ?
C25A H25D 0.9900 . ?
C25A H25E 0.9900 . ?
C26A H26D 0.9900 . ?
C26A H26E 0.9900 . ?
K2 O12B 2.770(2) . ?
K2 O21B 2.783(2) . ?
K2 O24B 2.802(2) . ?
K2 O6B 2.806(2) . ?
K2 O15B 2.832(2) . ?
K2 O3B 2.8571(19) . ?
K2 N9B 2.984(3) . ?
K2 N18B 3.012(2) . ?
C1B N18B 1.472(4) . ?
C1B C2B 1.501(4) . ?
C1B H1B1 0.9900 . ?
C1B H1B2 0.9900 . ?
C2B O3B 1.426(3) . ?
C2B H2B1 0.9900 . ?
C2B H2B2 0.9900 . ?
O3B C4B 1.425(3) . ?
C4B C5B 1.489(4) . ?
C4B H4B1 0.9900 . ?
C4B H4B2 0.9900 . ?
C5B O6B 1.430(3) . ?
C5B H5B1 0.9900 . ?
C5B H5B2 0.9900 . ?
O6B C7B 1.426(3) . ?
C7B C8B 1.518(4) . ?
C7B H7B1 0.9900 . ?
C7B H7B2 0.9900 . ?
C8B N9B 1.464(4) . ?
C8B H8B1 0.9900 . ?
C8B H8B2 0.9900 . ?
N9B C26B 1.470(4) . ?
N9B C10B 1.475(4) . ?
C10B C11B 1.500(5) . ?
C10B H10C 0.9900 . ?
C10B H10D 0.9900 . ?
C11B O12B 1.420(4) . ?
C11B H11C 0.9900 . ?
C11B H11D 0.9900 . ?
O12B C13B 1.427(4) . ?
C13B C14B 1.486(5) . ?
C13B H13C 0.9900 . ?
C13B H13D 0.9900 . ?
C14B O15B 1.431(4) . ?
C14B H14C 0.9900 . ?
C14B H14D 0.9900 . ?
O15B C16B 1.424(4) . ?
C16B C17B 1.506(5) . ?
C16B H16F 0.9900 . ?
C16B H16G 0.9900 . ?
C17B N18B 1.468(4) . ?
C17B H17F 0.9900 . ?
C17B H17G 0.9900 . ?
N18B C19B 1.464(4) . ?
C19B C20B 1.496(5) . ?
C19B H19F 0.9900 . ?
C19B H19G 0.9900 . ?
C20B O21B 1.421(4) . ?
C20B H20C 0.9900 . ?
C20B H20D 0.9900 . ?
O21B C22B 1.415(4) . ?
C22B C23B 1.492(5) . ?
C22B H22C 0.9900 . ?
C22B H22D 0.9900 . ?
C23B O24B 1.437(4) . ?
C23B H23C 0.9900 . ?
C23B H23D 0.9900 . ?
O24B C25B 1.421(4) . ?
C25B C26B 1.506(5) . ?
C25B H25F 0.9900 . ?
C25B H25G 0.9900 . ?
C26B H26F 0.9900 . ?
C26B H26G 0.9900 . ?
N1P C6P 1.388(5) . ?
N1P C2P 1.391(6) . ?
C2P C3P 1.385(7) . ?
C2P H2P 0.9500 . ?
C3P C4P 1.323(7) . ?
C3P H3P 0.9500 . ?
C4P C5P 1.311(6) . ?
C4P H4P 0.9500 . ?
C5P C6P 1.351(5) . ?
C5P H5P 0.9500 . ?
C6P H6P 0.9500 . ?
C10T C11T 1.569(12) . ?
C10T H10E 0.9800 . ?
C10T H10F 0.9800 . ?
C10T H10G 0.9800 . ?
C11T C12T 1.3900 . ?
C11T C16T 1.3900 . ?
C12T C13T 1.3900 . ?
C12T H12T 0.9500 . ?
C13T C14T 1.3900 . ?
C13T H13T 0.9500 . ?
C14T C15T 1.3900 . ?
C14T H14T 0.9500 . ?
C15T C16T 1.3900 . ?
C15T H15T 0.9500 . ?
C16T H16T 0.9500 . ?
C20T C21T 1.49(2) . ?
C20T H20E 0.9800 . ?
C20T H20F 0.9800 . ?
C20T H20G 0.9800 . ?
C21T C22T 1.3900 . ?
C21T C26T 1.3900 . ?
C22T C23T 1.3900 . ?
C22T H22T 0.9500 . ?
C23T C24T 1.3900 . ?
C23T H23T 0.9500 . ?
C24T C25T 1.3900 . ?
C24T H24T 0.9500 . ?
C25T C26T 1.3900 . ?
C25T H25T 0.9500 . ?
C26T H26T 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C10 Ru1 C11 37.86(10) . . ?
C10 Ru1 C14 37.57(11) . . ?
C11 Ru1 C14 62.90(10) . . ?
C10 Ru1 C13 62.46(11) . . ?
C11 Ru1 C13 62.18(11) . . ?
C14 Ru1 C13 37.49(13) . . ?
C10 Ru1 C12 62.54(11) . . ?
C11 Ru1 C12 37.30(11) . . ?
C14 Ru1 C12 62.33(12) . . ?
C13 Ru1 C12 36.75(13) . . ?
C10 Ru1 Sb6 97.23(7) . . ?
C11 Ru1 Sb6 130.98(8) . . ?
C14 Ru1 Sb6 93.83(9) . . ?
C13 Ru1 Sb6 123.98(11) . . ?
C12 Ru1 Sb6 155.98(8) . . ?
C10 Ru1 Sb1 148.71(8) . . ?
C11 Ru1 Sb1 111.15(8) . . ?
C14 Ru1 Sb1 150.27(10) . . ?
C13 Ru1 Sb1 112.91(10) . . ?
C12 Ru1 Sb1 94.79(8) . . ?
Sb6 Ru1 Sb1 108.646(9) . . ?
C10 Ru1 Sb4 145.47(8) . . ?
C11 Ru1 Sb4 148.91(8) . . ?
C14 Ru1 Sb4 108.17(9) . . ?
C13 Ru1 Sb4 92.21(8) . . ?
C12 Ru1 Sb4 111.61(9) . . ?
Sb6 Ru1 Sb4 77.057(9) . . ?
Sb1 Ru1 Sb4 60.593(7) . . ?
C10 Ru1 Sb3 99.05(8) . . ?
C11 Ru1 Sb3 96.68(7) . . ?
C14 Ru1 Sb3 131.63(10) . . ?
C13 Ru1 Sb3 158.55(8) . . ?
C12 Ru1 Sb3 126.74(9) . . ?
Sb6 Ru1 Sb3 66.065(7) . . ?
Sb1 Ru1 Sb3 76.683(8) . . ?
Sb4 Ru1 Sb3 109.022(10) . . ?
C20 Ru2 C21 38.18(10) . . ?
C20 Ru2 C24 38.00(11) . . ?
C21 Ru2 C24 63.41(10) . . ?
C20 Ru2 C22 63.51(10) . . ?
C21 Ru2 C22 37.86(10) . . ?
C24 Ru2 C22 63.03(10) . . ?
C20 Ru2 C23 63.17(11) . . ?
C21 Ru2 C23 63.03(10) . . ?
C24 Ru2 C23 37.48(11) . . ?
C22 Ru2 C23 37.52(10) . . ?
C20 Ru2 Sb2 129.93(8) . . ?
C21 Ru2 Sb2 96.79(7) . . ?
C24 Ru2 Sb2 157.45(7) . . ?
C22 Ru2 Sb2 94.85(7) . . ?
C23 Ru2 Sb2 125.44(8) . . ?
C20 Ru2 Sb5 134.42(8) . . ?
C21 Ru2 Sb5 153.19(7) . . ?
C24 Ru2 Sb5 98.62(8) . . ?
C22 Ru2 Sb5 117.36(8) . . ?
C23 Ru2 Sb5 90.48(7) . . ?
Sb2 Ru2 Sb5 95.579(8) . . ?
C20 Ru2 Sb6 100.25(7) . . ?
C21 Ru2 Sb6 135.13(7) . . ?
C24 Ru2 Sb6 94.34(7) . . ?
C22 Ru2 Sb6 157.31(7) . . ?
C23 Ru2 Sb6 122.21(7) . . ?
Sb2 Ru2 Sb6 107.845(10) . . ?
Sb5 Ru2 Sb6 61.499(7) . . ?
C20 Ru2 Sb3 97.92(8) . . ?
C21 Ru2 Sb3 98.83(7) . . ?
C24 Ru2 Sb3 129.12(9) . . ?
C22 Ru2 Sb3 130.66(7) . . ?
C23 Ru2 Sb3 160.23(7) . . ?
Sb2 Ru2 Sb3 61.214(8) . . ?
Sb5 Ru2 Sb3 107.977(8) . . ?
Sb6 Ru2 Sb3 64.173(7) . . ?
Ru1 Sb1 Sb4 59.786(8) . . ?
Ru1 Sb1 Sb2 99.989(8) . . ?
Sb4 Sb1 Sb2 102.637(9) . . ?
Ru2 Sb2 Sb3 61.239(8) . . ?
Ru2 Sb2 Sb1 106.347(9) . . ?
Sb3 Sb2 Sb1 73.099(8) . . ?
Ru1 Sb3 Sb2 101.495(9) . . ?
Ru1 Sb3 Ru2 102.867(9) . . ?
Sb2 Sb3 Ru2 57.547(7) . . ?
Ru1 Sb3 Sb6 56.597(8) . . ?
Sb2 Sb3 Sb6 100.160(9) . . ?
Ru2 Sb3 Sb6 57.425(7) . . ?
Ru1 Sb4 Sb1 59.620(8) . . ?
Ru1 Sb4 Sb5 99.868(10) . . ?
Sb1 Sb4 Sb5 102.689(9) . . ?
Ru2 Sb5 Sb6 60.507(7) . . ?
Ru2 Sb5 Sb4 106.864(9) . . ?
Sb6 Sb5 Sb4 73.534(8) . . ?
Ru1 Sb6 Ru2 104.260(9) . . ?
Ru1 Sb6 Sb5 101.560(9) . . ?
Ru2 Sb6 Sb5 57.994(8) . . ?
Ru1 Sb6 Sb3 57.338(7) . . ?
Ru2 Sb6 Sb3 58.401(7) . . ?
Sb5 Sb6 Sb3 101.182(9) . . ?
C14 C10 C11 108.0(3) . . ?
C14 C10 C15 127.1(3) . . ?
C11 C10 C15 124.5(3) . . ?
C14 C10 Ru1 71.62(17) . . ?
C11 C10 Ru1 71.34(16) . . ?
C15 C10 Ru1 128.6(2) . . ?
C12 C11 C10 107.9(3) . . ?
C12 C11 C16 125.3(3) . . ?
C10 C11 C16 126.3(3) . . ?
C12 C11 Ru1 72.68(17) . . ?
C10 C11 Ru1 70.81(16) . . ?
C16 C11 Ru1 129.1(2) . . ?
C13 C12 C11 108.1(3) . . ?
C13 C12 C17 126.0(3) . . ?
C11 C12 C17 125.6(4) . . ?
C13 C12 Ru1 71.46(17) . . ?
C11 C12 Ru1 70.02(16) . . ?
C17 C12 Ru1 128.8(2) . . ?
C12 C13 C14 108.4(3) . . ?
C12 C13 C18 125.8(4) . . ?
C14 C13 C18 125.5(4) . . ?
C12 C13 Ru1 71.79(16) . . ?
C14 C13 Ru1 70.23(16) . . ?
C18 C13 Ru1 128.9(2) . . ?
C10 C14 C13 107.7(3) . . ?
C10 C14 C19 125.2(4) . . ?
C13 C14 C19 126.9(4) . . ?
C10 C14 Ru1 70.81(16) . . ?
C13 C14 Ru1 72.28(17) . . ?
C19 C14 Ru1 126.5(2) . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C24 C20 C21 107.7(3) . . ?
C24 C20 C25 125.8(3) . . ?
C21 C20 C25 126.4(3) . . ?
C24 C20 Ru2 71.66(16) . . ?
C21 C20 Ru2 71.13(15) . . ?
C25 C20 Ru2 126.2(2) . . ?
C22 C21 C20 108.1(2) . . ?
C22 C21 C26 125.8(3) . . ?
C20 C21 C26 125.8(3) . . ?
C22 C21 Ru2 71.90(15) . . ?
C20 C21 Ru2 70.69(14) . . ?
C26 C21 Ru2 128.2(2) . . ?
C23 C22 C21 107.8(2) . . ?
C23 C22 C27 126.3(3) . . ?
C21 C22 C27 125.6(3) . . ?
C23 C22 Ru2 71.61(15) . . ?
C21 C22 Ru2 70.23(14) . . ?
C27 C22 Ru2 129.06(19) . . ?
C24 C23 C22 108.3(3) . . ?
C24 C23 C28 125.4(3) . . ?
C22 C23 C28 125.9(3) . . ?
C24 C23 Ru2 70.49(15) . . ?
C22 C23 Ru2 70.87(15) . . ?
C28 C23 Ru2 130.0(2) . . ?
C23 C24 C20 108.2(2) . . ?
C23 C24 C29 126.4(3) . . ?
C20 C24 C29 125.2(3) . . ?
C23 C24 Ru2 72.03(15) . . ?
C20 C24 Ru2 70.34(15) . . ?
C29 C24 Ru2 127.33(19) . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O24A K1 O15A 120.46(7) . . ?
O24A K1 O12A 98.54(7) . . ?
O15A K1 O12A 60.79(7) . . ?
O24A K1 O21A 59.11(6) . . ?
O15A K1 O21A 94.37(6) . . ?
O12A K1 O21A 133.89(6) . . ?
O24A K1 O6A 96.68(7) . . ?
O15A K1 O6A 138.66(7) . . ?
O12A K1 O6A 98.83(7) . . ?
O21A K1 O6A 121.89(6) . . ?
O24A K1 O3A 135.10(7) . . ?
O15A K1 O3A 98.78(7) . . ?
O12A K1 O3A 120.64(7) . . ?
O21A K1 O3A 99.95(6) . . ?
O6A K1 O3A 58.89(7) . . ?
O24A K1 N9A 60.71(7) . . ?
O15A K1 N9A 120.60(7) . . ?
O12A K1 N9A 60.66(7) . . ?
O21A K1 N9A 119.56(7) . . ?
O6A K1 N9A 60.57(7) . . ?
O3A K1 N9A 118.63(7) . . ?
O24A K1 N18A 119.09(7) . . ?
O15A K1 N18A 60.67(8) . . ?
O12A K1 N18A 120.54(8) . . ?
O21A K1 N18A 60.13(7) . . ?
O6A K1 N18A 118.39(7) . . ?
O3A K1 N18A 60.48(7) . . ?
N9A K1 N18A 178.70(8) . . ?
N18A C1A C2A 114.3(3) . . ?
N18A C1A H1A1 108.7 . . ?
C2A C1A H1A1 108.7 . . ?
N18A C1A H1A2 108.7 . . ?
C2A C1A H1A2 108.7 . . ?
H1A1 C1A H1A2 107.6 . . ?
O3A C2A C1A 109.5(3) . . ?
O3A C2A H2A1 109.8 . . ?
C1A C2A H2A1 109.8 . . ?
O3A C2A H2A2 109.8 . . ?
C1A C2A H2A2 109.8 . . ?
H2A1 C2A H2A2 108.2 . . ?
C2A O3A C4A 110.3(3) . . ?
C2A O3A K1 114.88(19) . . ?
C4A O3A K1 114.59(19) . . ?
O3A C4A C5A 109.2(3) . . ?
O3A C4A H4A1 109.8 . . ?
C5A C4A H4A1 109.8 . . ?
O3A C4A H4A2 109.8 . . ?
C5A C4A H4A2 109.8 . . ?
H4A1 C4A H4A2 108.3 . . ?
O6A C5A C4A 109.1(3) . . ?
O6A C5A H5A1 109.9 . . ?
C4A C5A H5A1 109.9 . . ?
O6A C5A H5A2 109.9 . . ?
C4A C5A H5A2 109.9 . . ?
H5A1 C5A H5A2 108.3 . . ?
C7A O6A C5A 111.2(2) . . ?
C7A O6A K1 115.59(18) . . ?
C5A O6A K1 115.5(2) . . ?
O6A C7A C8A 108.7(3) . . ?
O6A C7A H7A1 110.0 . . ?
C8A C7A H7A1 110.0 . . ?
O6A C7A H7A2 110.0 . . ?
C8A C7A H7A2 110.0 . . ?
H7A1 C7A H7A2 108.3 . . ?
N9A C8A C7A 114.1(3) . . ?
N9A C8A H8A1 108.7 . . ?
C7A C8A H8A1 108.7 . . ?
N9A C8A H8A2 108.7 . . ?
C7A C8A H8A2 108.7 . . ?
H8A1 C8A H8A2 107.6 . . ?
C8A N9A C10A 110.6(3) . . ?
C8A N9A C26A 109.8(3) . . ?
C10A N9A C26A 109.2(3) . . ?
C8A N9A K1 109.34(18) . . ?
C10A N9A K1 109.19(19) . . ?
C26A N9A K1 108.71(17) . . ?
N9A C10A C11A 113.9(3) . . ?
N9A C10A H10A 108.8 . . ?
C11A C10A H10A 108.8 . . ?
N9A C10A H10B 108.8 . . ?
C11A C10A H10B 108.8 . . ?
H10A C10A H10B 107.7 . . ?
O12A C11A C10A 108.9(3) . . ?
O12A C11A H11A 109.9 . . ?
C10A C11A H11A 109.9 . . ?
O12A C11A H11B 109.9 . . ?
C10A C11A H11B 109.9 . . ?
H11A C11A H11B 108.3 . . ?
C11A O12A C13A 111.2(3) . . ?
C11A O12A K1 116.51(18) . . ?
C13A O12A K1 111.47(18) . . ?
O12A C13A C14A 110.0(3) . . ?
O12A C13A H13A 109.7 . . ?
C14A C13A H13A 109.7 . . ?
O12A C13A H13B 109.7 . . ?
C14A C13A H13B 109.7 . . ?
H13A C13A H13B 108.2 . . ?
O15A C14A C13A 109.7(3) . . ?
O15A C14A H14A 109.7 . . ?
C13A C14A H14A 109.7 . . ?
O15A C14A H14B 109.7 . . ?
C13A C14A H14B 109.7 . . ?
H14A C14A H14B 108.2 . . ?
C14A O15A C16A 111.2(3) . . ?
C14A O15A K1 115.44(19) . . ?
C16A O15A K1 116.4(2) . . ?
O15A C16A C17A 110.1(3) . . ?
O15A C16A H16D 109.6 . . ?
C17A C16A H16D 109.6 . . ?
O15A C16A H16E 109.6 . . ?
C17A C16A H16E 109.6 . . ?
H16D C16A H16E 108.2 . . ?
N18A C17A C16A 113.7(3) . . ?
N18A C17A H17D 108.8 . . ?
C16A C17A H17D 108.8 . . ?
N18A C17A H17E 108.8 . . ?
C16A C17A H17E 108.8 . . ?
H17D C17A H17E 107.7 . . ?
C17A N18A C1A 109.5(3) . . ?
C17A N18A C19A 110.3(3) . . ?
C1A N18A C19A 110.2(3) . . ?
C17A N18A K1 109.2(2) . . ?
C1A N18A K1 109.05(19) . . ?
C19A N18A K1 108.61(18) . . ?
N18A C19A C20A 113.5(3) . . ?
N18A C19A H19D 108.9 . . ?
C20A C19A H19D 108.9 . . ?
N18A C19A H19E 108.9 . . ?
C20A C19A H19E 108.9 . . ?
H19D C19A H19E 107.7 . . ?
O21A C20A C19A 109.4(3) . . ?
O21A C20A H20A 109.8 . . ?
C19A C20A H20A 109.8 . . ?
O21A C20A H20B 109.8 . . ?
C19A C20A H20B 109.8 . . ?
H20A C20A H20B 108.2 . . ?
C20A O21A C22A 111.8(2) . . ?
C20A O21A K1 116.93(18) . . ?
C22A O21A K1 109.54(16) . . ?
O21A C22A C23A 109.8(2) . . ?
O21A C22A H22A 109.7 . . ?
C23A C22A H22A 109.7 . . ?
O21A C22A H22B 109.7 . . ?
C23A C22A H22B 109.7 . . ?
H22A C22A H22B 108.2 . . ?
O24A C23A C22A 108.5(2) . . ?
O24A C23A H23A 110.0 . . ?
C22A C23A H23A 110.0 . . ?
O24A C23A H23B 110.0 . . ?
C22A C23A H23B 110.0 . . ?
H23A C23A H23B 108.4 . . ?
C23A O24A C25A 112.5(2) . . ?
C23A O24A K1 121.88(17) . . ?
C25A O24A K1 121.45(17) . . ?
O24A C25A C26A 108.8(3) . . ?
O24A C25A H25D 109.9 . . ?
C26A C25A H25D 109.9 . . ?
O24A C25A H25E 109.9 . . ?
C26A C25A H25E 109.9 . . ?
H25D C25A H25E 108.3 . . ?
N9A C26A C25A 114.6(3) . . ?
N9A C26A H26D 108.6 . . ?
C25A C26A H26D 108.6 . . ?
N9A C26A H26E 108.6 . . ?
C25A C26A H26E 108.6 . . ?
H26D C26A H26E 107.6 . . ?
O12B K2 O21B 120.07(7) . . ?
O12B K2 O24B 98.90(7) . . ?
O21B K2 O24B 60.62(7) . . ?
O12B K2 O6B 98.13(6) . . ?
O21B K2 O6B 136.92(7) . . ?
O24B K2 O6B 96.71(7) . . ?
O12B K2 O15B 61.28(6) . . ?
O21B K2 O15B 99.37(7) . . ?
O24B K2 O15B 141.81(7) . . ?
O6B K2 O15B 117.20(6) . . ?
O12B K2 O3B 139.86(7) . . ?
O21B K2 O3B 95.37(6) . . ?
O24B K2 O3B 115.75(6) . . ?
O6B K2 O3B 59.97(6) . . ?
O15B K2 O3B 97.16(6) . . ?
O12B K2 N9B 60.41(6) . . ?
O21B K2 N9B 120.56(7) . . ?
O24B K2 N9B 60.97(7) . . ?
O6B K2 N9B 60.32(6) . . ?
O15B K2 N9B 120.09(7) . . ?
O3B K2 N9B 119.00(6) . . ?
O12B K2 N18B 120.27(7) . . ?
O21B K2 N18B 60.24(7) . . ?
O24B K2 N18B 119.59(7) . . ?
O6B K2 N18B 118.41(6) . . ?
O15B K2 N18B 60.31(7) . . ?
O3B K2 N18B 59.74(6) . . ?
N9B K2 N18B 178.72(7) . . ?
N18B C1B C2B 113.7(3) . . ?
N18B C1B H1B1 108.8 . . ?
C2B C1B H1B1 108.8 . . ?
N18B C1B H1B2 108.8 . . ?
C2B C1B H1B2 108.8 . . ?
H1B1 C1B H1B2 107.7 . . ?
O3B C2B C1B 108.6(2) . . ?
O3B C2B H2B1 110.0 . . ?
C1B C2B H2B1 110.0 . . ?
O3B C2B H2B2 110.0 . . ?
C1B C2B H2B2 110.0 . . ?
H2B1 C2B H2B2 108.3 . . ?
C4B O3B C2B 110.5(2) . . ?
C4B O3B K2 114.10(16) . . ?
C2B O3B K2 118.49(16) . . ?
O3B C4B C5B 109.6(2) . . ?
O3B C4B H4B1 109.7 . . ?
C5B C4B H4B1 109.7 . . ?
O3B C4B H4B2 109.7 . . ?
C5B C4B H4B2 109.7 . . ?
H4B1 C4B H4B2 108.2 . . ?
O6B C5B C4B 109.4(2) . . ?
O6B C5B H5B1 109.8 . . ?
C4B C5B H5B1 109.8 . . ?
O6B C5B H5B2 109.8 . . ?
C4B C5B H5B2 109.8 . . ?
H5B1 C5B H5B2 108.2 . . ?
C7B O6B C5B 110.2(2) . . ?
C7B O6B K2 120.94(17) . . ?
C5B O6B K2 115.67(16) . . ?
O6B C7B C8B 108.8(2) . . ?
O6B C7B H7B1 109.9 . . ?
C8B C7B H7B1 109.9 . . ?
O6B C7B H7B2 109.9 . . ?
C8B C7B H7B2 109.9 . . ?
H7B1 C7B H7B2 108.3 . . ?
N9B C8B C7B 114.2(3) . . ?
N9B C8B H8B1 108.7 . . ?
C7B C8B H8B1 108.7 . . ?
N9B C8B H8B2 108.7 . . ?
C7B C8B H8B2 108.7 . . ?
H8B1 C8B H8B2 107.6 . . ?
C8B N9B C26B 110.8(2) . . ?
C8B N9B C10B 110.4(3) . . ?
C26B N9B C10B 110.4(3) . . ?
C8B N9B K2 108.81(17) . . ?
C26B N9B K2 107.90(19) . . ?
C10B N9B K2 108.46(17) . . ?
N9B C10B C11B 113.5(3) . . ?
N9B C10B H10C 108.9 . . ?
C11B C10B H10C 108.9 . . ?
N9B C10B H10D 108.9 . . ?
C11B C10B H10D 108.9 . . ?
H10C C10B H10D 107.7 . . ?
O12B C11B C10B 109.5(3) . . ?
O12B C11B H11C 109.8 . . ?
C10B C11B H11C 109.8 . . ?
O12B C11B H11D 109.8 . . ?
C10B C11B H11D 109.8 . . ?
H11C C11B H11D 108.2 . . ?
C11B O12B C13B 111.4(2) . . ?
C11B O12B K2 121.22(17) . . ?
C13B O12B K2 115.81(17) . . ?
O12B C13B C14B 109.7(3) . . ?
O12B C13B H13C 109.7 . . ?
C14B C13B H13C 109.7 . . ?
O12B C13B H13D 109.7 . . ?
C14B C13B H13D 109.7 . . ?
H13C C13B H13D 108.2 . . ?
O15B C14B C13B 110.2(3) . . ?
O15B C14B H14C 109.6 . . ?
C13B C14B H14C 109.6 . . ?
O15B C14B H14D 109.6 . . ?
C13B C14B H14D 109.6 . . ?
H14C C14B H14D 108.1 . . ?
C16B O15B C14B 110.1(2) . . ?
C16B O15B K2 118.51(18) . . ?
C14B O15B K2 111.20(18) . . ?
O15B C16B C17B 109.4(3) . . ?
O15B C16B H16F 109.8 . . ?
C17B C16B H16F 109.8 . . ?
O15B C16B H16G 109.8 . . ?
C17B C16B H16G 109.8 . . ?
H16F C16B H16G 108.2 . . ?
N18B C17B C16B 114.3(3) . . ?
N18B C17B H17F 108.7 . . ?
C16B C17B H17F 108.7 . . ?
N18B C17B H17G 108.7 . . ?
C16B C17B H17G 108.7 . . ?
H17F C17B H17G 107.6 . . ?
C19B N18B C17B 110.0(3) . . ?
C19B N18B C1B 110.3(2) . . ?
C17B N18B C1B 110.3(2) . . ?
C19B N18B K2 107.73(18) . . ?
C17B N18B K2 109.02(18) . . ?
C1B N18B K2 109.41(17) . . ?
N18B C19B C20B 113.9(3) . . ?
N18B C19B H19F 108.8 . . ?
C20B C19B H19F 108.8 . . ?
N18B C19B H19G 108.8 . . ?
C20B C19B H19G 108.8 . . ?
H19F C19B H19G 107.7 . . ?
O21B C20B C19B 109.5(3) . . ?
O21B C20B H20C 109.8 . . ?
C19B C20B H20C 109.8 . . ?
O21B C20B H20D 109.8 . . ?
C19B C20B H20D 109.8 . . ?
H20C C20B H20D 108.2 . . ?
C22B O21B C20B 111.7(2) . . ?
C22B O21B K2 116.55(19) . . ?
C20B O21B K2 120.59(18) . . ?
O21B C22B C23B 109.5(3) . . ?
O21B C22B H22C 109.8 . . ?
C23B C22B H22C 109.8 . . ?
O21B C22B H22D 109.8 . . ?
C23B C22B H22D 109.8 . . ?
H22C C22B H22D 108.2 . . ?
O24B C23B C22B 109.2(3) . . ?
O24B C23B H23C 109.8 . . ?
C22B C23B H23C 109.8 . . ?
O24B C23B H23D 109.8 . . ?
C22B C23B H23D 109.8 . . ?
H23C C23B H23D 108.3 . . ?
C25B O24B C23B 110.7(2) . . ?
C25B O24B K2 119.13(18) . . ?
C23B O24B K2 113.14(18) . . ?
O24B C25B C26B 109.2(3) . . ?
O24B C25B H25F 109.8 . . ?
C26B C25B H25F 109.8 . . ?
O24B C25B H25G 109.8 . . ?
C26B C25B H25G 109.8 . . ?
H25F C25B H25G 108.3 . . ?
N9B C26B C25B 114.6(3) . . ?
N9B C26B H26F 108.6 . . ?
C25B C26B H26F 108.6 . . ?
N9B C26B H26G 108.6 . . ?
C25B C26B H26G 108.6 . . ?
H26F C26B H26G 107.6 . . ?
C6P N1P C2P 116.3(4) . . ?
C3P C2P N1P 119.2(4) . . ?
C3P C2P H2P 120.4 . . ?
N1P C2P H2P 120.4 . . ?
C4P C3P C2P 122.7(4) . . ?
C4P C3P H3P 118.7 . . ?
C2P C3P H3P 118.7 . . ?
C5P C4P C3P 117.8(4) . . ?
C5P C4P H4P 121.1 . . ?
C3P C4P H4P 121.1 . . ?
C4P C5P C6P 123.9(4) . . ?
C4P C5P H5P 118.1 . . ?
C6P C5P H5P 118.1 . . ?
C5P C6P N1P 120.1(4) . . ?
C5P C6P H6P 120.0 . . ?
N1P C6P H6P 120.0 . . ?
C11T C10T H10E 109.5 . . ?
C11T C10T H10F 109.5 . . ?
H10E C10T H10F 109.5 . . ?
C11T C10T H10G 109.5 . . ?
H10E C10T H10G 109.5 . . ?
H10F C10T H10G 109.5 . . ?
C12T C11T C16T 120.0 . . ?
C12T C11T C10T 124.6(7) . . ?
C16T C11T C10T 115.3(7) . . ?
C11T C12T C13T 120.0 . . ?
C11T C12T H12T 120.0 . . ?
C13T C12T H12T 120.0 . . ?
C14T C13T C12T 120.0 . . ?
C14T C13T H13T 120.0 . . ?
C12T C13T H13T 120.0 . . ?
C13T C14T C15T 120.0 . . ?
C13T C14T H14T 120.0 . . ?
C15T C14T H14T 120.0 . . ?
C16T C15T C14T 120.0 . . ?
C16T C15T H15T 120.0 . . ?
C14T C15T H15T 120.0 . . ?
C15T C16T C11T 120.0 . . ?
C15T C16T H16T 120.0 . . ?
C11T C16T H16T 120.0 . . ?
C21T C20T H20E 109.5 . . ?
C21T C20T H20F 109.5 . . ?
H20E C20T H20F 109.5 . . ?
C21T C20T H20G 109.5 . . ?
H20E C20T H20G 109.5 . . ?
H20F C20T H20G 109.5 . . ?
C22T C21T C26T 120.0 . . ?
C22T C21T C20T 114.5(11) . . ?
C26T C21T C20T 124.9(11) . . ?
C21T C22T C23T 120.0 . . ?
C21T C22T H22T 120.0 . . ?
C23T C22T H22T 120.0 . . ?
C24T C23T C22T 120.0 . . ?
C24T C23T H23T 120.0 . . ?
C22T C23T H23T 120.0 . . ?
C23T C24T C25T 120.0 . . ?
C23T C24T H24T 120.0 . . ?
C25T C24T H24T 120.0 . . ?
C26T C25T C24T 120.0 . . ?
C26T C25T H25T 120.0 . . ?
C24T C25T H25T 120.0 . . ?
C25T C26T C21T 120.0 . . ?
C25T C26T H26T 120.0 . . ?
C21T C26T H26T 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C14 C10 C11 C12 1.0(3) . . . . ?
C15 C10 C11 C12 -171.8(3) . . . . ?
Ru1 C10 C11 C12 63.7(2) . . . . ?
C14 C10 C11 C16 172.4(3) . . . . ?
C15 C10 C11 C16 -0.4(5) . . . . ?
Ru1 C10 C11 C16 -125.0(3) . . . . ?
C14 C10 C11 Ru1 -62.66(19) . . . . ?
C15 C10 C11 Ru1 124.6(3) . . . . ?
C10 C11 C12 C13 -0.8(3) . . . . ?
C16 C11 C12 C13 -172.3(3) . . . . ?
Ru1 C11 C12 C13 61.6(2) . . . . ?
C10 C11 C12 C17 173.5(3) . . . . ?
C16 C11 C12 C17 2.0(5) . . . . ?
Ru1 C11 C12 C17 -124.1(3) . . . . ?
C10 C11 C12 Ru1 -62.46(19) . . . . ?
C16 C11 C12 Ru1 126.1(3) . . . . ?
C11 C12 C13 C14 0.3(3) . . . . ?
C17 C12 C13 C14 -173.9(3) . . . . ?
Ru1 C12 C13 C14 61.0(2) . . . . ?
C11 C12 C13 C18 173.9(3) . . . . ?
C17 C12 C13 C18 -0.3(5) . . . . ?
Ru1 C12 C13 C18 -125.3(3) . . . . ?
C11 C12 C13 Ru1 -60.7(2) . . . . ?
C17 C12 C13 Ru1 125.0(3) . . . . ?
C11 C10 C14 C13 -0.8(3) . . . . ?
C15 C10 C14 C13 171.7(3) . . . . ?
Ru1 C10 C14 C13 -63.3(2) . . . . ?
C11 C10 C14 C19 -175.9(3) . . . . ?
C15 C10 C14 C19 -3.3(5) . . . . ?
Ru1 C10 C14 C19 121.6(3) . . . . ?
C11 C10 C14 Ru1 62.47(19) . . . . ?
C15 C10 C14 Ru1 -125.0(3) . . . . ?
C12 C13 C14 C10 0.3(3) . . . . ?
C18 C13 C14 C10 -173.3(3) . . . . ?
Ru1 C13 C14 C10 62.35(19) . . . . ?
C12 C13 C14 C19 175.3(3) . . . . ?
C18 C13 C14 C19 1.6(5) . . . . ?
Ru1 C13 C14 C19 -122.7(3) . . . . ?
C12 C13 C14 Ru1 -62.0(2) . . . . ?
C18 C13 C14 Ru1 124.3(3) . . . . ?
C24 C20 C21 C22 0.2(3) . . . . ?
C25 C20 C21 C22 175.8(3) . . . . ?
Ru2 C20 C21 C22 -62.58(18) . . . . ?
C24 C20 C21 C26 -173.5(3) . . . . ?
C25 C20 C21 C26 2.1(5) . . . . ?
Ru2 C20 C21 C26 123.7(3) . . . . ?
C24 C20 C21 Ru2 62.74(18) . . . . ?
C25 C20 C21 Ru2 -121.6(3) . . . . ?
C20 C21 C22 C23 -0.3(3) . . . . ?
C26 C21 C22 C23 173.3(3) . . . . ?
Ru2 C21 C22 C23 -62.13(18) . . . . ?
C20 C21 C22 C27 -173.7(2) . . . . ?
C26 C21 C22 C27 0.0(4) . . . . ?
Ru2 C21 C22 C27 124.5(3) . . . . ?
C20 C21 C22 Ru2 61.81(18) . . . . ?
C26 C21 C22 Ru2 -124.5(3) . . . . ?
C21 C22 C23 C24 0.4(3) . . . . ?
C27 C22 C23 C24 173.7(3) . . . . ?
Ru2 C22 C23 C24 -60.88(18) . . . . ?
C21 C22 C23 C28 -172.7(3) . . . . ?
C27 C22 C23 C28 0.6(4) . . . . ?
Ru2 C22 C23 C28 126.1(3) . . . . ?
C21 C22 C23 Ru2 61.24(17) . . . . ?
C27 C22 C23 Ru2 -125.4(3) . . . . ?
C22 C23 C24 C20 -0.3(3) . . . . ?
C28 C23 C24 C20 172.8(3) . . . . ?
Ru2 C23 C24 C20 -61.39(18) . . . . ?
C22 C23 C24 C29 -175.3(3) . . . . ?
C28 C23 C24 C29 -2.2(4) . . . . ?
Ru2 C23 C24 C29 123.6(3) . . . . ?
C22 C23 C24 Ru2 61.12(18) . . . . ?
C28 C23 C24 Ru2 -125.8(3) . . . . ?
C21 C20 C24 C23 0.1(3) . . . . ?
C25 C20 C24 C23 -175.6(3) . . . . ?
Ru2 C20 C24 C23 62.46(18) . . . . ?
C21 C20 C24 C29 175.2(3) . . . . ?
C25 C20 C24 C29 -0.5(4) . . . . ?
Ru2 C20 C24 C29 -122.4(3) . . . . ?
C21 C20 C24 Ru2 -62.40(18) . . . . ?
C25 C20 C24 Ru2 121.9(3) . . . . ?
N18A C1A C2A O3A -66.8(4) . . . . ?
C1A C2A O3A C4A -176.1(3) . . . . ?
C1A C2A O3A K1 52.6(3) . . . . ?
C2A O3A C4A C5A 179.0(3) . . . . ?
K1 O3A C4A C5A -49.6(3) . . . . ?
O3A C4A C5A O6A 65.7(4) . . . . ?
C4A C5A O6A C7A 177.0(3) . . . . ?
C4A C5A O6A K1 -48.7(3) . . . . ?
C5A O6A C7A C8A -174.9(3) . . . . ?
K1 O6A C7A C8A 50.9(3) . . . . ?
O6A C7A C8A N9A -66.5(4) . . . . ?
C7A C8A N9A C10A -75.2(4) . . . . ?
C7A C8A N9A C26A 164.2(3) . . . . ?
C7A C8A N9A K1 45.1(3) . . . . ?
C8A N9A C10A C11A 165.0(3) . . . . ?
C26A N9A C10A C11A -74.1(4) . . . . ?
K1 N9A C10A C11A 44.6(4) . . . . ?
N9A C10A C11A O12A -65.5(4) . . . . ?
C10A C11A O12A C13A 179.6(3) . . . . ?
C10A C11A O12A K1 50.3(3) . . . . ?
C11A O12A C13A C14A 176.0(3) . . . . ?
K1 O12A C13A C14A -52.1(3) . . . . ?
O12A C13A C14A O15A 66.1(4) . . . . ?
C13A C14A O15A C16A 179.8(3) . . . . ?
C13A C14A O15A K1 -44.9(3) . . . . ?
C14A O15A C16A C17A -171.6(3) . . . . ?
K1 O15A C16A C17A 53.5(3) . . . . ?
O15A C16A C17A N18A -64.0(4) . . . . ?
C16A C17A N18A C1A -79.3(4) . . . . ?
C16A C17A N18A C19A 159.3(3) . . . . ?
C16A C17A N18A K1 40.0(3) . . . . ?
C2A C1A N18A C17A 162.6(3) . . . . ?
C2A C1A N18A C19A -75.9(4) . . . . ?
C2A C1A N18A K1 43.2(4) . . . . ?
C17A N18A C19A C20A -72.9(4) . . . . ?
C1A N18A C19A C20A 166.2(3) . . . . ?
K1 N18A C19A C20A 46.8(3) . . . . ?
N18A C19A C20A O21A -66.5(4) . . . . ?
C19A C20A O21A C22A 176.7(3) . . . . ?
C19A C20A O21A K1 49.3(3) . . . . ?
C20A O21A C22A C23A 170.1(3) . . . . ?
K1 O21A C22A C23A -58.6(3) . . . . ?
O21A C22A C23A O24A 60.4(3) . . . . ?
C22A C23A O24A C25A 170.9(2) . . . . ?
C22A C23A O24A K1 -31.8(3) . . . . ?
C23A O24A C25A C26A -158.1(3) . . . . ?
K1 O24A C25A C26A 44.4(3) . . . . ?
C8A N9A C26A C25A -75.7(3) . . . . ?
C10A N9A C26A C25A 162.9(3) . . . . ?
K1 N9A C26A C25A 43.9(3) . . . . ?
O24A C25A C26A N9A -59.4(4) . . . . ?
N18B C1B C2B O3B 64.4(4) . . . . ?
C1B C2B O3B C4B 178.2(2) . . . . ?
C1B C2B O3B K2 -47.5(3) . . . . ?
C2B O3B C4B C5B -175.9(2) . . . . ?
K2 O3B C4B C5B 47.6(3) . . . . ?
O3B C4B C5B O6B -64.3(3) . . . . ?
C4B C5B O6B C7B -169.7(3) . . . . ?
C4B C5B O6B K2 48.5(3) . . . . ?
C5B O6B C7B C8B -179.9(3) . . . . ?
K2 O6B C7B C8B -40.5(3) . . . . ?
O6B C7B C8B N9B 60.8(4) . . . . ?
C7B C8B N9B C26B 69.7(3) . . . . ?
C7B C8B N9B C10B -167.7(3) . . . . ?
C7B C8B N9B K2 -48.7(3) . . . . ?
C8B N9B C10B C11B 71.4(3) . . . . ?
C26B N9B C10B C11B -165.8(3) . . . . ?
K2 N9B C10B C11B -47.7(3) . . . . ?
N9B C10B C11B O12B 60.7(4) . . . . ?
C10B C11B O12B C13B 176.8(3) . . . . ?
C10B C11B O12B K2 -41.5(3) . . . . ?
C11B O12B C13B C14B -172.0(3) . . . . ?
K2 O12B C13B C14B 44.2(3) . . . . ?
O12B C13B C14B O15B -65.2(4) . . . . ?
C13B C14B O15B C16B -174.9(3) . . . . ?
C13B C14B O15B K2 51.7(3) . . . . ?
C14B O15B C16B C17B -176.5(3) . . . . ?
K2 O15B C16B C17B -46.9(3) . . . . ?
O15B C16B C17B N18B 63.1(4) . . . . ?
C16B C17B N18B C19B 72.8(3) . . . . ?
C16B C17B N18B C1B -165.3(3) . . . . ?
C16B C17B N18B K2 -45.1(3) . . . . ?
C2B C1B N18B C19B -165.2(3) . . . . ?
C2B C1B N18B C17B 73.1(3) . . . . ?
C2B C1B N18B K2 -46.9(3) . . . . ?
C17B N18B C19B C20B -166.9(3) . . . . ?
C1B N18B C19B C20B 71.1(3) . . . . ?
K2 N18B C19B C20B -48.2(3) . . . . ?
N18B C19B C20B O21B 62.5(3) . . . . ?
C19B C20B O21B C22B 174.6(3) . . . . ?
C19B C20B O21B K2 -42.8(3) . . . . ?
C20B O21B C22B C23B -172.1(3) . . . . ?
K2 O21B C22B C23B 43.6(3) . . . . ?
O21B C22B C23B O24B -63.5(3) . . . . ?
C22B C23B O24B C25B -171.8(3) . . . . ?
C22B C23B O24B K2 51.5(3) . . . . ?
C23B O24B C25B C26B -177.7(3) . . . . ?
K2 O24B C25B C26B -44.0(3) . . . . ?
C8B N9B C26B C25B -166.3(3) . . . . ?
C10B N9B C26B C25B 71.1(4) . . . . ?
K2 N9B C26B C25B -47.3(3) . . . . ?
O24B C25B C26B N9B 63.0(4) . . . . ?
C6P N1P C2P C3P 0.2(5) . . . . ?
N1P C2P C3P C4P 0.1(6) . . . . ?
C2P C3P C4P C5P -0.1(6) . . . . ?
C3P C4P C5P C6P -0.4(6) . . . . ?
C4P C5P C6P N1P 0.8(6) . . . . ?
C2P N1P C6P C5P -0.7(5) . . . . ?
C16T C11T C12T C13T 0.0 . . . . ?
C10T C11T C12T C13T 176.6(7) . . . . ?
C11T C12T C13T C14T 0.0 . . . . ?
C12T C13T C14T C15T 0.0 . . . . ?
C13T C14T C15T C16T 0.0 . . . . ?
C14T C15T C16T C11T 0.0 . . . . ?
C12T C11T C16T C15T 0.0 . . . . ?
C10T C11T C16T C15T -176.9(6) . . . . ?
C26T C21T C22T C23T 0.0 . . . . ?
C20T C21T C22T C23T 172.2(11) . . . . ?
C21T C22T C23T C24T 0.0 . . . . ?
C22T C23T C24T C25T 0.0 . . . . ?
C23T C24T C25T C26T 0.0 . . . . ?
C24T C25T C26T C21T 0.0 . . . . ?
C22T C21T C26T C25T 0.0 . . . . ?
C20T C21T C26T C25T -171.3(12) . . . . ?

_refine_diff_density_max         1.091
_refine_diff_density_min         -0.883
_refine_diff_density_rms         0.101



_diffrn_radiation_monochromator  graphite
_diffrn_orient_matrix_type       standard
_diffrn_orient_matrix_UB_11      0.0704726
_diffrn_orient_matrix_UB_12      -0.0225602
_diffrn_orient_matrix_UB_13      -0.0201733
_diffrn_orient_matrix_UB_21      -0.0101022
_diffrn_orient_matrix_UB_22      -0.0691545
_diffrn_orient_matrix_UB_23      0.0042091
_diffrn_orient_matrix_UB_31      -0.0312499
_diffrn_orient_matrix_UB_32      0.0051092
_diffrn_orient_matrix_UB_33      -0.0374698
_diffrn_measurement_specimen_support 'MiTeGen loop'
_diffrn_detector                 'CCD area detector'
####################################################################### 
# 
# 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_3011
_database_code_depnum_ccdc_archive 'CCDC 1859497'
_audit_update_record             
;
2018-07-31 deposited with the CCDC.
2018-09-26 downloaded from the CCDC.
;

_audit_creation_method           'SHELXL-2014 & ZCIF'
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        RuSb6-cluster
_chemical_formula_moiety         'C20 H30 Ru2 Sb6, 2(C18 H36 K N2 O6), 2(C7 H8)'
_chemical_formula_sum            'C70 H118 K2 N4 O12 Ru2 Sb6'
_chemical_formula_weight         2218.52

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

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

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

_cell_length_a                   13.0477(11)
_cell_length_b                   14.1374(12)
_cell_length_c                   23.620(2)
_cell_angle_alpha                87.7781(14)
_cell_angle_beta                 84.4934(13)
_cell_angle_gamma                79.1444(14)
_cell_volume                     4258.2(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    30388
_cell_measurement_theta_min      2.2
_cell_measurement_theta_max      31.8

_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_F_000             2188
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.105
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    2.369
_shelx_estimated_absorpt_T_min   0.578
_shelx_estimated_absorpt_T_max   0.798
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.691
_exptl_absorpt_correction_T_max  0.789
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube'
_diffrn_measurement_device_type  'Bruker Smart Apex II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            101412
_diffrn_reflns_av_unetI/netI     0.0339
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         1.596
_diffrn_reflns_theta_max         31.499
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             27856
_reflns_number_gt                21741
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.

 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Apex2 (Bruker, 2010)'
_computing_cell_refinement       Apex2
_computing_data_reduction        'Apex2, Saint'
_computing_structure_solution    'ShelXT-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'ShelXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov, 2009)'
_computing_publication_material  'Apex2, SHELXL-2014, Platon (Spek, 1990)'
_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)+(0.0268P)²+0.3996P] 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         27856
_refine_ls_number_parameters     968
_refine_ls_number_restraints     758
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0248
_refine_ls_wR_factor_ref         0.0572
_refine_ls_wR_factor_gt          0.0552
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_restrained_S_all      0.997
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.60377(2) 0.30811(2) 0.30863(2) 0.02063(3) Uani 1 1 d . . . . .
Ru2 Ru 0.90783(2) 0.19766(2) 0.22432(2) 0.02317(3) Uani 1 1 d . . . . .
Sb1 Sb 0.58718(2) 0.29203(2) 0.19703(2) 0.02588(3) Uani 1 1 d . . . . .
Sb2 Sb 0.71946(2) 0.14862(2) 0.25334(2) 0.02469(3) Uani 1 1 d . . . . .
Sb3 Sb 0.79107(2) 0.28356(2) 0.14122(2) 0.02751(3) Uani 1 1 d . . . . .
Sb4 Sb 0.88092(2) 0.39136(2) 0.20881(2) 0.02751(3) Uani 1 1 d . . . . .
Sb5 Sb 0.81594(2) 0.26529(2) 0.32664(2) 0.02610(3) Uani 1 1 d . . . . .
Sb6 Sb 0.71604(2) 0.44956(2) 0.29569(2) 0.02727(3) Uani 1 1 d . . . . .
C10 C 0.54368(17) 0.24185(15) 0.38720(9) 0.0299(4) Uani 1 1 d . . . . .
C11 C 0.47610(16) 0.23362(14) 0.34345(9) 0.0286(4) Uani 1 1 d . . . . .
C12 C 0.42999(15) 0.32791(15) 0.32597(8) 0.0272(4) Uani 1 1 d . . . . .
C13 C 0.46881(15) 0.39642(13) 0.35781(8) 0.0248(4) Uani 1 1 d . . . . .
C14 C 0.53878(16) 0.34308(15) 0.39608(8) 0.0267(4) Uani 1 1 d . . . . .
C15 C 0.6018(2) 0.15969(17) 0.41958(10) 0.0431(6) Uani 1 1 d . . . . .
H15A H 0.656907 0.181377 0.438238 0.065 Uiso 1 1 calc R U . . .
H15B H 0.633414 0.107940 0.393396 0.065 Uiso 1 1 calc R U . . .
H15C H 0.553182 0.135698 0.448392 0.065 Uiso 1 1 calc R U . . .
C16 C 0.4527(2) 0.14131(17) 0.32338(11) 0.0456(6) Uani 1 1 d . . . . .
H16A H 0.389356 0.155132 0.303027 0.068 Uiso 1 1 calc R U . . .
H16B H 0.441614 0.098659 0.356198 0.068 Uiso 1 1 calc R U . . .
H16C H 0.511804 0.109802 0.297801 0.068 Uiso 1 1 calc R U . . .
C17 C 0.34513(17) 0.35255(19) 0.28603(10) 0.0407(6) Uani 1 1 d . . . . .
H17A H 0.276666 0.353602 0.307320 0.061 Uiso 1 1 calc R U . . .
H17B H 0.356054 0.304023 0.256447 0.061 Uiso 1 1 calc R U . . .
H17C H 0.347433 0.416051 0.268327 0.061 Uiso 1 1 calc R U . . .
C18 C 0.43158(17) 0.50311(15) 0.35737(10) 0.0354(5) Uani 1 1 d . . . . .
H18A H 0.403981 0.523916 0.320849 0.053 Uiso 1 1 calc R U . . .
H18B H 0.490188 0.535228 0.362695 0.053 Uiso 1 1 calc R U . . .
H18C H 0.376168 0.520132 0.388281 0.053 Uiso 1 1 calc R U . . .
C19 C 0.58988(19) 0.38630(18) 0.44001(9) 0.0400(5) Uani 1 1 d . . . . .
H19A H 0.644931 0.337269 0.454807 0.060 Uiso 1 1 calc R U . . .
H19B H 0.537441 0.410152 0.471205 0.060 Uiso 1 1 calc R U . . .
H19C H 0.620824 0.439856 0.422846 0.060 Uiso 1 1 calc R U . . .
C20 C 1.00573(16) 0.06309(15) 0.25334(10) 0.0317(5) Uani 1 1 d . . . . .
C21 C 1.06421(16) 0.13899(15) 0.25261(9) 0.0306(5) Uani 1 1 d . . . . .
C22 C 1.07918(18) 0.17297(17) 0.19566(11) 0.0395(5) Uani 1 1 d . . . . .
C23 C 1.0300(2) 0.1200(2) 0.16082(10) 0.0495(7) Uani 1 1 d . . . . .
C24 C 0.98319(18) 0.05210(18) 0.19598(12) 0.0444(7) Uani 1 1 d . . . . .
C25 C 0.9844(2) 0.0007(2) 0.30418(13) 0.0597(8) Uani 1 1 d . . . . .
H25A H 0.951949 0.041411 0.336137 0.089 Uiso 1 1 calc R U . . .
H25B H 1.050375 -0.038621 0.314553 0.089 Uiso 1 1 calc R U . . .
H25C H 0.936837 -0.041434 0.295116 0.089 Uiso 1 1 calc R U . . .
C26 C 1.11413(19) 0.1685(2) 0.30179(12) 0.0556(8) Uani 1 1 d . . . . .
H26A H 1.069245 0.162459 0.336969 0.083 Uiso 1 1 calc R U . . .
H26B H 1.123239 0.235540 0.296121 0.083 Uiso 1 1 calc R U . . .
H26C H 1.182634 0.126788 0.304547 0.083 Uiso 1 1 calc R U . . .
C27 C 1.1467(2) 0.2450(2) 0.17545(16) 0.0766(11) Uani 1 1 d . . . . .
H27A H 1.141387 0.293801 0.204481 0.115 Uiso 1 1 calc R U . . .
H27B H 1.122864 0.276192 0.140022 0.115 Uiso 1 1 calc R U . . .
H27C H 1.219688 0.212033 0.168659 0.115 Uiso 1 1 calc R U . . .
C28 C 1.0357(3) 0.1253(3) 0.09678(12) 0.1034(17) Uani 1 1 d . . . . .
H28A H 1.104602 0.091696 0.081064 0.155 Uiso 1 1 calc R U . . .
H28B H 1.025154 0.192884 0.083936 0.155 Uiso 1 1 calc R U . . .
H28C H 0.981017 0.094692 0.083697 0.155 Uiso 1 1 calc R U . . .
C29 C 0.9283(2) -0.0250(2) 0.17749(18) 0.0947(15) Uani 1 1 d . . . . .
H29A H 0.892643 -0.002483 0.143455 0.142 Uiso 1 1 calc R U . . .
H29B H 0.876783 -0.038816 0.208163 0.142 Uiso 1 1 calc R U . . .
H29C H 0.979955 -0.083701 0.168850 0.142 Uiso 1 1 calc R U . . .
K1 K 0.91817(3) 0.71358(3) 0.41785(2) 0.02725(9) Uani 1 1 d . . . . .
C1A C 0.8523(2) 0.88881(18) 0.53743(11) 0.0465(6) Uani 1 1 d . . . . .
H1A1 H 0.822072 0.911013 0.575752 0.056 Uiso 1 1 calc R U . . .
H1A2 H 0.840192 0.944836 0.510840 0.056 Uiso 1 1 calc R U . . .
C2A C 0.9686(2) 0.8554(2) 0.53895(11) 0.0472(6) Uani 1 1 d . . . . .
H2A1 H 0.999290 0.906147 0.555155 0.057 Uiso 1 1 calc R U . . .
H2A2 H 0.982306 0.796816 0.563425 0.057 Uiso 1 1 calc R U . . .
O3A O 1.01536(13) 0.83518(12) 0.48296(7) 0.0410(4) Uani 1 1 d . . . . .
C4A C 1.12623(19) 0.80848(19) 0.48259(11) 0.0447(6) Uani 1 1 d . . . . .
H4A1 H 1.144506 0.748749 0.505645 0.054 Uiso 1 1 calc R U . . .
H4A2 H 1.154709 0.860117 0.499330 0.054 Uiso 1 1 calc R U . . .
C5A C 1.1725(2) 0.79261(19) 0.42263(11) 0.0458(6) Uani 1 1 d . . . . .
H5A1 H 1.149986 0.850784 0.398970 0.055 Uiso 1 1 calc R U . . .
H5A2 H 1.249973 0.780275 0.421300 0.055 Uiso 1 1 calc R U . . .
O6A O 1.13850(12) 0.71211(11) 0.40105(7) 0.0381(4) Uani 1 1 d . . . . .
C7A C 1.18401(18) 0.69322(18) 0.34470(10) 0.0401(5) Uani 1 1 d . . . . .
H7A1 H 1.261212 0.685198 0.343529 0.048 Uiso 1 1 calc R U . . .
H7A2 H 1.158523 0.747961 0.319113 0.048 Uiso 1 1 calc R U . . .
C8A C 1.15408(18) 0.60206(18) 0.32514(10) 0.0397(5) Uani 1 1 d . . . . .
H8A1 H 1.194311 0.583492 0.288296 0.048 Uiso 1 1 calc R U . . .
H8A2 H 1.174308 0.549462 0.353103 0.048 Uiso 1 1 calc R U . . .
N9A N 1.04166(14) 0.61173(14) 0.31843(7) 0.0350(4) Uani 1 1 d . . . . .
C10A C 1.0148(2) 0.51576(19) 0.31631(10) 0.0446(6) Uani 1 1 d . . . . .
H10A H 1.068607 0.475673 0.290509 0.054 Uiso 1 1 calc R U . . .
H10B H 0.946992 0.522330 0.299612 0.054 Uiso 1 1 calc R U . . .
C11A C 1.00664(19) 0.46375(16) 0.37278(11) 0.0410(6) Uani 1 1 d . . . . .
H11A H 0.989857 0.399404 0.367520 0.049 Uiso 1 1 calc R U . . .
H11B H 1.074395 0.454815 0.389751 0.049 Uiso 1 1 calc R U . . .
O12A O 0.92627(12) 0.51877(10) 0.40976(6) 0.0327(3) Uani 1 1 d . . . . .
C13A C 0.89278(18) 0.46196(15) 0.45608(10) 0.0357(5) Uani 1 1 d . . . . .
H13A H 0.950576 0.441043 0.480662 0.043 Uiso 1 1 calc R U . . .
H13B H 0.872446 0.403813 0.441832 0.043 Uiso 1 1 calc R U . . .
C14A C 0.80161(19) 0.52039(16) 0.48930(10) 0.0369(5) Uani 1 1 d . . . . .
H14A H 0.742983 0.538948 0.465010 0.044 Uiso 1 1 calc R U . . .
H14B H 0.777766 0.481705 0.522070 0.044 Uiso 1 1 calc R U . . .
O15A O 0.83058(11) 0.60486(11) 0.50920(6) 0.0320(3) Uani 1 1 d . . . . .
C16A C 0.75209(18) 0.65486(18) 0.54881(10) 0.0392(5) Uani 1 1 d . . . . .
H16D H 0.741326 0.613011 0.582612 0.047 Uiso 1 1 calc R U . . .
H16E H 0.684991 0.672230 0.531229 0.047 Uiso 1 1 calc R U . . .
C17A C 0.7858(2) 0.74421(17) 0.56633(9) 0.0406(5) Uani 1 1 d . . . . .
H17D H 0.734292 0.774992 0.596796 0.049 Uiso 1 1 calc R U . . .
H17E H 0.854126 0.725546 0.582555 0.049 Uiso 1 1 calc R U . . .
N18A N 0.79608(15) 0.81547(13) 0.52007(8) 0.0357(4) Uani 1 1 d . . . . .
C19A C 0.69223(19) 0.86173(17) 0.50447(11) 0.0446(6) Uani 1 1 d . . . . .
H19D H 0.659969 0.909305 0.533707 0.054 Uiso 1 1 calc R U . . .
H19E H 0.647642 0.812241 0.504743 0.054 Uiso 1 1 calc R U . . .
C20A C 0.6930(2) 0.91190(17) 0.44718(12) 0.0465(6) Uani 1 1 d . . . . .
H20A H 0.621133 0.944817 0.440469 0.056 Uiso 1 1 calc R U . . .
H20B H 0.738126 0.961089 0.446007 0.056 Uiso 1 1 calc R U . . .
O21A O 0.73171(12) 0.84328(11) 0.40406(7) 0.0392(4) Uani 1 1 d . . . . .
C22A C 0.7200(2) 0.8856(2) 0.34908(12) 0.0578(8) Uani 1 1 d . . . . .
H22A H 0.762857 0.936485 0.342691 0.069 Uiso 1 1 calc R U . . .
H22B H 0.645763 0.915518 0.345898 0.069 Uiso 1 1 calc R U . . .
C23A C 0.7545(2) 0.8095(3) 0.30531(11) 0.0610(9) Uani 1 1 d . . . . .
H23A H 0.714372 0.756855 0.313081 0.073 Uiso 1 1 calc R U . . .
H23B H 0.740664 0.837318 0.267076 0.073 Uiso 1 1 calc R U . . .
O24A O 0.86422(12) 0.77192(14) 0.30665(7) 0.0453(4) Uani 1 1 d . . . . .
C25A C 0.9000(2) 0.7030(2) 0.26370(11) 0.0550(7) Uani 1 1 d . . . . .
H25D H 0.886096 0.732692 0.225890 0.066 Uiso 1 1 calc R U . . .
H25E H 0.862146 0.648426 0.269818 0.066 Uiso 1 1 calc R U . . .
C26A C 1.0161(2) 0.6672(2) 0.26590(10) 0.0506(7) Uani 1 1 d . . . . .
H26D H 1.042841 0.626006 0.232746 0.061 Uiso 1 1 calc R U . . .
H26E H 1.052196 0.723009 0.262913 0.061 Uiso 1 1 calc R U . . .
K2 K 0.48487(3) 0.79887(3) 0.10171(2) 0.02619(9) Uani 1 1 d . . . . .
C1B C 0.21894(18) 0.85650(18) 0.18257(10) 0.0419(6) Uani 1 1 d . . . . .
H1B1 H 0.245810 0.818886 0.216019 0.050 Uiso 1 1 calc R U . . .
H1B2 H 0.141451 0.867505 0.187801 0.050 Uiso 1 1 calc R U . . .
C2B C 0.25374(18) 0.95245(17) 0.18043(11) 0.0419(6) Uani 1 1 d . . . . .
H2B1 H 0.230055 0.989897 0.146265 0.050 Uiso 1 1 calc R U . . .
H2B2 H 0.222471 0.989716 0.214493 0.050 Uiso 1 1 calc R U . . .
O3B O 0.36480(11) 0.93650(10) 0.17856(6) 0.0323(3) Uani 1 1 d . . . . .
C4B C 0.40131(19) 1.02529(16) 0.17849(10) 0.0389(5) Uani 1 1 d . . . . .
H4B1 H 0.365694 1.063896 0.211234 0.047 Uiso 1 1 calc R U . . .
H4B2 H 0.384463 1.062554 0.143148 0.047 Uiso 1 1 calc R U . . .
C5B C 0.51600(19) 1.00662(17) 0.18222(10) 0.0399(6) Uani 1 1 d . . . . .
H5B1 H 0.540308 1.068309 0.185319 0.048 Uiso 1 1 calc R U . . .
H5B2 H 0.533318 0.966610 0.216549 0.048 Uiso 1 1 calc R U . . .
O6B O 0.56727(12) 0.95796(11) 0.13276(6) 0.0354(3) Uani 1 1 d . . . . .
C7B C 0.67768(18) 0.95121(18) 0.13100(10) 0.0415(6) Uani 1 1 d . . . . .
H7B1 H 0.704256 0.914732 0.164876 0.050 Uiso 1 1 calc R U . . .
H7B2 H 0.694686 1.016520 0.131429 0.050 Uiso 1 1 calc R U . . .
C8B C 0.72938(19) 0.90077(18) 0.07767(10) 0.0417(6) Uani 1 1 d . . . . .
H8B1 H 0.702532 0.938459 0.044243 0.050 Uiso 1 1 calc R U . . .
H8B2 H 0.805723 0.899640 0.075859 0.050 Uiso 1 1 calc R U . . .
N9B N 0.71196(15) 0.80161(14) 0.07398(8) 0.0369(4) Uani 1 1 d . . . . .
C10B C 0.7702(2) 0.73831(19) 0.11548(12) 0.0498(7) Uani 1 1 d . . . . .
H10C H 0.759083 0.770793 0.152548 0.060 Uiso 1 1 calc R U . . .
H10D H 0.845886 0.729248 0.102868 0.060 Uiso 1 1 calc R U . . .
C11B C 0.7398(2) 0.64097(19) 0.12395(13) 0.0530(7) Uani 1 1 d . . . . .
H11C H 0.750000 0.607471 0.087235 0.064 Uiso 1 1 calc R U . . .
H11D H 0.784746 0.601349 0.150824 0.064 Uiso 1 1 calc R U . . .
O12B O 0.63327(14) 0.65266(12) 0.14588(7) 0.0452(4) Uani 1 1 d . . . . .
C13B C 0.6001(2) 0.56192(17) 0.15217(11) 0.0489(7) Uani 1 1 d . . . . .
H13C H 0.651358 0.515365 0.172410 0.059 Uiso 1 1 calc R U . . .
H13D H 0.595929 0.536119 0.114259 0.059 Uiso 1 1 calc R U . . .
C14B C 0.4953(2) 0.57496(18) 0.18507(11) 0.0516(7) Uani 1 1 d . . . . .
H14C H 0.473856 0.511703 0.192165 0.062 Uiso 1 1 calc R U . . .
H14D H 0.498756 0.603615 0.222272 0.062 Uiso 1 1 calc R U . . .
O15B O 0.42055(13) 0.63688(11) 0.15342(7) 0.0410(4) Uani 1 1 d . . . . .
C16B C 0.3173(2) 0.64293(18) 0.17970(11) 0.0469(6) Uani 1 1 d . . . . .
H16F H 0.310801 0.674962 0.216746 0.056 Uiso 1 1 calc R U . . .
H16G H 0.301601 0.577420 0.186690 0.056 Uiso 1 1 calc R U . . .
C17B C 0.2417(2) 0.69918(18) 0.14175(11) 0.0443(6) Uani 1 1 d . . . . .
H17F H 0.249673 0.666494 0.104842 0.053 Uiso 1 1 calc R U . . .
H17G H 0.169525 0.699052 0.159087 0.053 Uiso 1 1 calc R U . . .
N18B N 0.25499(14) 0.79964(13) 0.13119(8) 0.0345(4) Uani 1 1 d . . . . .
C19B C 0.19707(19) 0.8414(2) 0.08304(11) 0.0466(6) Uani 1 1 d . . . . .
H19F H 0.190635 0.912347 0.083085 0.056 Uiso 1 1 calc R U . . .
H19G H 0.125437 0.826877 0.088510 0.056 Uiso 1 1 calc R U . . .
C20B C 0.24726(19) 0.8053(2) 0.02594(10) 0.0461(6) Uani 1 1 d . . . . .
H20C H 0.256513 0.734148 0.025624 0.055 Uiso 1 1 calc R U . . .
H20D H 0.201533 0.832102 -0.004141 0.055 Uiso 1 1 calc R U . . .
O21B O 0.34613(12) 0.83371(12) 0.01507(6) 0.0390(4) Uani 1 1 d . . . . .
C22B C 0.3963(2) 0.7965(2) -0.03803(10) 0.0490(7) Uani 1 1 d . . . . .
H22C H 0.349686 0.817641 -0.068606 0.059 Uiso 1 1 calc R U . . .
H22D H 0.410045 0.725211 -0.036026 0.059 Uiso 1 1 calc R U . . .
C23B C 0.4969(2) 0.8313(2) -0.05144(10) 0.0496(7) Uani 1 1 d . . . . .
H23C H 0.527493 0.811060 -0.090044 0.059 Uiso 1 1 calc R U . . .
H23D H 0.483910 0.902581 -0.050774 0.059 Uiso 1 1 calc R U . . .
O24B O 0.56820(13) 0.79266(12) -0.01071(6) 0.0399(4) Uani 1 1 d . . . . .
C25B C 0.6698(2) 0.8108(2) -0.02675(10) 0.0513(7) Uani 1 1 d . . . . .
H25F H 0.667970 0.881164 -0.029237 0.062 Uiso 1 1 calc R U . . .
H25G H 0.695194 0.783707 -0.064660 0.062 Uiso 1 1 calc R U . . .
C26B C 0.7425(2) 0.7659(2) 0.01615(11) 0.0487(7) Uani 1 1 d . . . . .
H26F H 0.745964 0.695315 0.016872 0.058 Uiso 1 1 calc R U . . .
H26G H 0.813670 0.778114 0.003906 0.058 Uiso 1 1 calc R U . . .
C1C C 0.5781(3) 0.6787(2) 0.41628(14) 0.0796(11) Uani 1 1 d D . . . .
H1C1 H 0.540539 0.665500 0.452806 0.119 Uiso 1 1 calc R U . . .
H1C2 H 0.640798 0.703887 0.423051 0.119 Uiso 1 1 calc R U . . .
H1C3 H 0.598767 0.619039 0.394908 0.119 Uiso 1 1 calc R U . . .
C2C C 0.5080(2) 0.75177(18) 0.38270(11) 0.0479(7) Uani 1 1 d D . . . .
C3C C 0.5036(2) 0.7405(2) 0.32512(11) 0.0491(6) Uani 1 1 d D . . . .
H3C H 0.542715 0.683823 0.307746 0.059 Uiso 1 1 calc R U . . .
C4C C 0.4465(2) 0.8063(2) 0.29288(12) 0.0529(7) Uani 1 1 d . . . . .
H4C H 0.445531 0.796359 0.253395 0.064 Uiso 1 1 calc R U . . .
C5C C 0.3892(2) 0.8883(2) 0.31770(13) 0.0541(7) Uani 1 1 d . . . . .
H5C H 0.348464 0.934825 0.294867 0.065 Uiso 1 1 calc R U . . .
C6C C 0.3893(2) 0.9047(2) 0.37408(14) 0.0596(8) Uani 1 1 d . . . . .
H6C H 0.349116 0.961692 0.390563 0.071 Uiso 1 1 calc R U . . .
C7C C 0.4508(2) 0.8348(2) 0.40777(12) 0.0640(9) Uani 1 1 d D . . . .
H7C H 0.452653 0.844735 0.447167 0.077 Uiso 1 1 calc R U . . .
C1D C 0.0371(5) 0.5757(7) 0.0533(4) 0.105(3) Uani 0.453(3) 1 d D U P A 1
H1D1 H -0.005488 0.527851 0.046398 0.157 Uiso 0.453(3) 1 calc R U P A 1
H1D2 H 0.034471 0.622846 0.021668 0.157 Uiso 0.453(3) 1 calc R U P A 1
H1D3 H 0.009561 0.608748 0.088807 0.157 Uiso 0.453(3) 1 calc R U P A 1
C2D C 0.1482(4) 0.5264(5) 0.0578(3) 0.0760(14) Uani 0.453(3) 1 d DG U P A 1
C3D C 0.1763(4) 0.4729(5) 0.1064(2) 0.0687(15) Uani 0.453(3) 1 d DG U P A 1
H3D H 0.124343 0.465192 0.136402 0.082 Uiso 0.453(3) 1 calc R U P A 1
C4D C 0.2804(5) 0.4307(4) 0.1112(2) 0.0713(16) Uani 0.453(3) 1 d G U P A 1
H4D H 0.299586 0.394120 0.144360 0.086 Uiso 0.453(3) 1 calc R U P A 1
C5D C 0.3564(4) 0.4419(4) 0.0673(3) 0.0711(16) Uani 0.453(3) 1 d G U P A 1
H5D H 0.427567 0.413075 0.070517 0.085 Uiso 0.453(3) 1 calc R U P A 1
C6D C 0.3283(4) 0.4954(5) 0.0187(2) 0.0790(17) Uani 0.453(3) 1 d G U P A 1
H6D H 0.380304 0.503101 -0.011284 0.095 Uiso 0.453(3) 1 calc R U P A 1
C7D C 0.2242(5) 0.5376(5) 0.0140(2) 0.0687(15) Uani 0.453(3) 1 d DG U P A 1
H7D H 0.205061 0.574173 -0.019243 0.082 Uiso 0.453(3) 1 calc R U P A 1
C1E C 0.4070(6) 0.4635(9) 0.0373(5) 0.098(3) Uani 0.328(2) 1 d D U P B 2
H1E1 H 0.429402 0.432742 0.000527 0.147 Uiso 0.328(2) 1 calc R U P B 2
H1E2 H 0.434780 0.420194 0.067866 0.147 Uiso 0.328(2) 1 calc R U P B 2
H1E3 H 0.433454 0.523820 0.037863 0.147 Uiso 0.328(2) 1 calc R U P B 2
C2E C 0.2891(5) 0.4844(6) 0.0458(3) 0.0725(15) Uani 0.328(2) 1 d DG U P B 2
C3E C 0.2324(6) 0.5408(7) 0.0058(3) 0.0741(18) Uani 0.328(2) 1 d DG U P B 2
H3E H 0.267720 0.561576 -0.028187 0.089 Uiso 0.328(2) 1 calc R U P B 2
C4E C 0.1241(6) 0.5669(6) 0.0153(3) 0.0787(18) Uani 0.328(2) 1 d G U P B 2
H4E H 0.085431 0.605432 -0.012060 0.094 Uiso 0.328(2) 1 calc R U P B 2
C5E C 0.0725(5) 0.5366(6) 0.0650(4) 0.086(2) Uani 0.328(2) 1 d G U P B 2
H5E H -0.001497 0.554358 0.071547 0.103 Uiso 0.328(2) 1 calc R U P B 2
C6E C 0.1292(6) 0.4802(7) 0.1051(3) 0.0788(19) Uani 0.328(2) 1 d G U P B 2
H6E H 0.093865 0.459427 0.139029 0.095 Uiso 0.328(2) 1 calc R U P B 2
C7E C 0.2374(6) 0.4541(6) 0.0955(3) 0.0710(17) Uani 0.328(2) 1 d DG U P B 2
H7E H 0.276155 0.415569 0.122903 0.085 Uiso 0.328(2) 1 calc R U P B 2
C1F C 0.0579(11) 0.6006(13) 0.0119(8) 0.092(4) Uani 0.219(3) 1 d D U P C 3
H1F1 H 0.038718 0.663124 0.030482 0.139 Uiso 0.219(3) 1 calc R U P C 3
H1F2 H -0.001077 0.566382 0.017692 0.139 Uiso 0.219(3) 1 calc R U P C 3
H1F3 H 0.075023 0.610723 -0.028897 0.139 Uiso 0.219(3) 1 calc R U P C 3
C2F C 0.1515(8) 0.5419(11) 0.0373(5) 0.0757(19) Uani 0.219(3) 1 d DG U P C 3
C3F C 0.2512(9) 0.5317(14) 0.0089(5) 0.072(2) Uani 0.219(3) 1 d DG U P C 3
H3F H 0.260917 0.560558 -0.027714 0.086 Uiso 0.219(3) 1 calc R U P C 3
C4F C 0.3367(8) 0.4792(13) 0.0341(6) 0.076(2) Uani 0.219(3) 1 d G U P C 3
H4F H 0.404878 0.472168 0.014742 0.091 Uiso 0.219(3) 1 calc R U P C 3
C5F C 0.3225(10) 0.4369(10) 0.0877(6) 0.072(2) Uani 0.219(3) 1 d G U P C 3
H5F H 0.380979 0.401009 0.104971 0.086 Uiso 0.219(3) 1 calc R U P C 3
C6F C 0.2228(12) 0.4471(10) 0.1161(4) 0.077(2) Uani 0.219(3) 1 d G U P C 3
H6F H 0.213120 0.418239 0.152745 0.093 Uiso 0.219(3) 1 calc R U P C 3
C7F C 0.1373(9) 0.4996(11) 0.0909(5) 0.076(2) Uani 0.219(3) 1 d DG U P C 3
H7F H 0.069157 0.506629 0.110289 0.091 Uiso 0.219(3) 1 calc R U P C 3


_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 C10 2.191(2) . ?
Ru1 C14 2.1944(19) . ?
Ru1 C11 2.2115(19) . ?
Ru1 C13 2.2138(18) . ?
Ru1 C12 2.231(2) . ?
Ru1 Sb6 2.6848(3) . ?
Ru1 Sb1 2.6872(3) . ?
Ru1 Sb2 2.7634(3) . ?
Ru1 Sb5 2.7903(3) . ?
Ru2 C24 2.206(2) . ?
Ru2 C20 2.207(2) . ?
Ru2 C21 2.209(2) . ?
Ru2 C23 2.237(2) . ?
Ru2 C22 2.239(2) . ?
Ru2 Sb2 2.6969(3) . ?
Ru2 Sb3 2.7093(3) . ?
Ru2 Sb4 2.7094(3) . ?
Ru2 Sb5 2.7175(3) . ?
Sb1 Sb2 2.7878(2) . ?
Sb1 Sb3 2.8371(3) . ?
Sb2 Sb5 2.9538(2) . ?
Sb3 Sb4 2.7324(2) . ?
Sb4 Sb6 2.8519(3) . ?
Sb5 Sb6 2.7886(3) . ?
C10 C11 1.443(3) . ?
C10 C14 1.443(3) . ?
C10 C15 1.490(3) . ?
C11 C12 1.419(3) . ?
C11 C16 1.499(3) . ?
C12 C13 1.440(3) . ?
C12 C17 1.506(3) . ?
C13 C14 1.437(3) . ?
C13 C18 1.495(3) . ?
C14 C19 1.493(3) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.428(3) . ?
C20 C24 1.434(3) . ?
C20 C25 1.498(3) . ?
C21 C22 1.419(3) . ?
C21 C26 1.494(3) . ?
C22 C23 1.407(4) . ?
C22 C27 1.503(4) . ?
C23 C24 1.431(4) . ?
C23 C28 1.507(3) . ?
C24 C29 1.511(3) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
K1 O12A 2.7496(15) . ?
K1 O21A 2.7951(16) . ?
K1 O24A 2.8358(16) . ?
K1 O6A 2.8603(16) . ?
K1 O15A 2.8731(15) . ?
K1 O3A 2.8859(15) . ?
K1 N9A 2.9742(19) . ?
K1 N18A 3.0181(19) . ?
C1A N18A 1.469(3) . ?
C1A C2A 1.505(4) . ?
C1A H1A1 0.9900 . ?
C1A H1A2 0.9900 . ?
C2A O3A 1.419(3) . ?
C2A H2A1 0.9900 . ?
C2A H2A2 0.9900 . ?
O3A C4A 1.424(3) . ?
C4A C5A 1.493(4) . ?
C4A H4A1 0.9900 . ?
C4A H4A2 0.9900 . ?
C5A O6A 1.425(3) . ?
C5A H5A1 0.9900 . ?
C5A H5A2 0.9900 . ?
O6A C7A 1.418(3) . ?
C7A C8A 1.516(3) . ?
C7A H7A1 0.9900 . ?
C7A H7A2 0.9900 . ?
C8A N9A 1.471(3) . ?
C8A H8A1 0.9900 . ?
C8A H8A2 0.9900 . ?
N9A C10A 1.468(3) . ?
N9A C26A 1.473(3) . ?
C10A C11A 1.502(3) . ?
C10A H10A 0.9900 . ?
C10A H10B 0.9900 . ?
C11A O12A 1.427(3) . ?
C11A H11A 0.9900 . ?
C11A H11B 0.9900 . ?
O12A C13A 1.416(3) . ?
C13A C14A 1.488(3) . ?
C13A H13A 0.9900 . ?
C13A H13B 0.9900 . ?
C14A O15A 1.427(2) . ?
C14A H14A 0.9900 . ?
C14A H14B 0.9900 . ?
O15A C16A 1.421(3) . ?
C16A C17A 1.499(3) . ?
C16A H16D 0.9900 . ?
C16A H16E 0.9900 . ?
C17A N18A 1.471(3) . ?
C17A H17D 0.9900 . ?
C17A H17E 0.9900 . ?
N18A C19A 1.464(3) . ?
C19A C20A 1.503(4) . ?
C19A H19D 0.9900 . ?
C19A H19E 0.9900 . ?
C20A O21A 1.423(3) . ?
C20A H20A 0.9900 . ?
C20A H20B 0.9900 . ?
O21A C22A 1.418(3) . ?
C22A C23A 1.498(4) . ?
C22A H22A 0.9900 . ?
C22A H22B 0.9900 . ?
C23A O24A 1.433(3) . ?
C23A H23A 0.9900 . ?
C23A H23B 0.9900 . ?
O24A C25A 1.418(3) . ?
C25A C26A 1.509(4) . ?
C25A H25D 0.9900 . ?
C25A H25E 0.9900 . ?
C26A H26D 0.9900 . ?
C26A H26E 0.9900 . ?
K2 O24B 2.7694(15) . ?
K2 O15B 2.7841(16) . ?
K2 O12B 2.7970(17) . ?
K2 O6B 2.8181(15) . ?
K2 O21B 2.8292(15) . ?
K2 O3B 2.8486(14) . ?
K2 N9B 2.980(2) . ?
K2 N18B 3.0114(19) . ?
C1B N18B 1.471(3) . ?
C1B C2B 1.507(3) . ?
C1B H1B1 0.9900 . ?
C1B H1B2 0.9900 . ?
C2B O3B 1.421(3) . ?
C2B H2B1 0.9900 . ?
C2B H2B2 0.9900 . ?
O3B C4B 1.424(2) . ?
C4B C5B 1.480(3) . ?
C4B H4B1 0.9900 . ?
C4B H4B2 0.9900 . ?
C5B O6B 1.423(3) . ?
C5B H5B1 0.9900 . ?
C5B H5B2 0.9900 . ?
O6B C7B 1.422(3) . ?
C7B C8B 1.509(3) . ?
C7B H7B1 0.9900 . ?
C7B H7B2 0.9900 . ?
C8B N9B 1.469(3) . ?
C8B H8B1 0.9900 . ?
C8B H8B2 0.9900 . ?
N9B C26B 1.467(3) . ?
N9B C10B 1.469(3) . ?
C10B C11B 1.503(4) . ?
C10B H10C 0.9900 . ?
C10B H10D 0.9900 . ?
C11B O12B 1.418(3) . ?
C11B H11C 0.9900 . ?
C11B H11D 0.9900 . ?
O12B C13B 1.427(3) . ?
C13B C14B 1.489(4) . ?
C13B H13C 0.9900 . ?
C13B H13D 0.9900 . ?
C14B O15B 1.430(3) . ?
C14B H14C 0.9900 . ?
C14B H14D 0.9900 . ?
O15B C16B 1.417(3) . ?
C16B C17B 1.493(4) . ?
C16B H16F 0.9900 . ?
C16B H16G 0.9900 . ?
C17B N18B 1.472(3) . ?
C17B H17F 0.9900 . ?
C17B H17G 0.9900 . ?
N18B C19B 1.469(3) . ?
C19B C20B 1.506(3) . ?
C19B H19F 0.9900 . ?
C19B H19G 0.9900 . ?
C20B O21B 1.420(3) . ?
C20B H20C 0.9900 . ?
C20B H20D 0.9900 . ?
O21B C22B 1.429(3) . ?
C22B C23B 1.488(4) . ?
C22B H22C 0.9900 . ?
C22B H22D 0.9900 . ?
C23B O24B 1.425(3) . ?
C23B H23C 0.9900 . ?
C23B H23D 0.9900 . ?
O24B C25B 1.411(3) . ?
C25B C26B 1.496(4) . ?
C25B H25F 0.9900 . ?
C25B H25G 0.9900 . ?
C26B H26F 0.9900 . ?
C26B H26G 0.9900 . ?
C1C C2C 1.501(4) . ?
C1C H1C1 0.9800 . ?
C1C H1C2 0.9800 . ?
C1C H1C3 0.9800 . ?
C2C C3C 1.383(4) . ?
C2C C7C 1.387(4) . ?
C3C C4C 1.339(4) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.374(4) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.361(4) . ?
C5C H5C 0.9500 . ?
C6C C7C 1.420(4) . ?
C6C H6C 0.9500 . ?
C7C H7C 0.9500 . ?
C1D C2D 1.498(6) . ?
C1D H1D1 0.9800 . ?
C1D H1D2 0.9800 . ?
C1D H1D3 0.9800 . ?
C2D C3D 1.3900 . ?
C2D C7D 1.3900 . ?
C3D C4D 1.3900 . ?
C3D H3D 0.9500 . ?
C4D C5D 1.3900 . ?
C4D H4D 0.9500 . ?
C5D C6D 1.3900 . ?
C5D H5D 0.9500 . ?
C6D C7D 1.3900 . ?
C6D H6D 0.9500 . ?
C7D H7D 0.9500 . ?
C1E C2E 1.506(6) . ?
C1E H1E1 0.9800 . ?
C1E H1E2 0.9800 . ?
C1E H1E3 0.9800 . ?
C2E C3E 1.3900 . ?
C2E C7E 1.3900 . ?
C3E C4E 1.3900 . ?
C3E H3E 0.9500 . ?
C4E C5E 1.3900 . ?
C4E H4E 0.9500 . ?
C5E C6E 1.3900 . ?
C5E H5E 0.9500 . ?
C6E C7E 1.3900 . ?
C6E H6E 0.9500 . ?
C7E H7E 0.9500 . ?
C1F C2F 1.503(6) . ?
C1F H1F1 0.9800 . ?
C1F H1F2 0.9800 . ?
C1F H1F3 0.9800 . ?
C2F C3F 1.3900 . ?
C2F C7F 1.3900 . ?
C3F C4F 1.3900 . ?
C3F H3F 0.9500 . ?
C4F C5F 1.3900 . ?
C4F H4F 0.9500 . ?
C5F C6F 1.3900 . ?
C5F H5F 0.9500 . ?
C6F C7F 1.3900 . ?
C6F H6F 0.9500 . ?
C7F H7F 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C10 Ru1 C14 38.43(7) . . ?
C10 Ru1 C11 38.26(8) . . ?
C14 Ru1 C11 63.86(7) . . ?
C10 Ru1 C13 63.81(8) . . ?
C14 Ru1 C13 38.05(7) . . ?
C11 Ru1 C13 63.31(7) . . ?
C10 Ru1 C12 63.19(8) . . ?
C14 Ru1 C12 63.32(7) . . ?
C11 Ru1 C12 37.24(8) . . ?
C13 Ru1 C12 37.81(7) . . ?
C10 Ru1 Sb6 129.03(6) . . ?
C14 Ru1 Sb6 95.83(5) . . ?
C11 Ru1 Sb6 157.22(5) . . ?
C13 Ru1 Sb6 94.50(5) . . ?
C12 Ru1 Sb6 125.88(5) . . ?
C10 Ru1 Sb1 135.49(6) . . ?
C14 Ru1 Sb1 153.01(5) . . ?
C11 Ru1 Sb1 99.19(5) . . ?
C13 Ru1 Sb1 116.52(5) . . ?
C12 Ru1 Sb1 90.32(5) . . ?
Sb6 Ru1 Sb1 95.378(7) . . ?
C10 Ru1 Sb2 101.20(5) . . ?
C14 Ru1 Sb2 136.41(6) . . ?
C11 Ru1 Sb2 94.66(5) . . ?
C13 Ru1 Sb2 157.78(5) . . ?
C12 Ru1 Sb2 121.84(5) . . ?
Sb6 Ru1 Sb2 107.690(9) . . ?
Sb1 Ru1 Sb2 61.504(6) . . ?
C10 Ru1 Sb5 97.62(6) . . ?
C14 Ru1 Sb5 98.83(5) . . ?
C11 Ru1 Sb5 128.83(6) . . ?
C13 Ru1 Sb5 131.03(5) . . ?
C12 Ru1 Sb5 160.16(5) . . ?
Sb6 Ru1 Sb5 61.200(7) . . ?
Sb1 Ru1 Sb5 108.088(7) . . ?
Sb2 Ru1 Sb5 64.261(6) . . ?
C24 Ru2 C20 37.92(9) . . ?
C24 Ru2 C21 62.88(8) . . ?
C20 Ru2 C21 37.73(8) . . ?
C24 Ru2 C23 37.55(10) . . ?
C20 Ru2 C23 62.71(9) . . ?
C21 Ru2 C23 62.02(8) . . ?
C24 Ru2 C22 62.33(9) . . ?
C20 Ru2 C22 62.58(8) . . ?
C21 Ru2 C22 37.20(8) . . ?
C23 Ru2 C22 36.64(10) . . ?
C24 Ru2 Sb2 94.23(7) . . ?
C20 Ru2 Sb2 97.56(6) . . ?
C21 Ru2 Sb2 131.25(6) . . ?
C23 Ru2 Sb2 124.48(8) . . ?
C22 Ru2 Sb2 156.38(6) . . ?
C24 Ru2 Sb3 107.83(7) . . ?
C20 Ru2 Sb3 145.48(6) . . ?
C21 Ru2 Sb3 148.64(6) . . ?
C23 Ru2 Sb3 91.96(6) . . ?
C22 Ru2 Sb3 111.45(6) . . ?
Sb2 Ru2 Sb3 77.016(8) . . ?
C24 Ru2 Sb4 149.41(8) . . ?
C20 Ru2 Sb4 148.38(6) . . ?
C21 Ru2 Sb4 110.92(6) . . ?
C23 Ru2 Sb4 112.00(8) . . ?
C22 Ru2 Sb4 94.15(6) . . ?
Sb2 Ru2 Sb4 108.863(7) . . ?
Sb3 Ru2 Sb4 60.563(6) . . ?
C24 Ru2 Sb5 132.30(8) . . ?
C20 Ru2 Sb5 99.30(6) . . ?
C21 Ru2 Sb5 96.95(5) . . ?
C23 Ru2 Sb5 158.76(6) . . ?
C22 Ru2 Sb5 126.63(7) . . ?
Sb2 Ru2 Sb5 66.125(6) . . ?
Sb3 Ru2 Sb5 108.951(9) . . ?
Sb4 Ru2 Sb5 76.843(6) . . ?
Ru1 Sb1 Sb2 60.594(6) . . ?
Ru1 Sb1 Sb3 106.736(7) . . ?
Sb2 Sb1 Sb3 73.507(7) . . ?
Ru2 Sb2 Ru1 104.079(8) . . ?
Ru2 Sb2 Sb1 101.521(8) . . ?
Ru1 Sb2 Sb1 57.902(7) . . ?
Ru2 Sb2 Sb5 57.272(6) . . ?
Ru1 Sb2 Sb5 58.311(7) . . ?
Sb1 Sb2 Sb5 101.083(8) . . ?
Ru2 Sb3 Sb4 59.722(7) . . ?
Ru2 Sb3 Sb1 99.961(8) . . ?
Sb4 Sb3 Sb1 102.993(7) . . ?
Ru2 Sb4 Sb3 59.716(6) . . ?
Ru2 Sb4 Sb6 99.727(7) . . ?
Sb3 Sb4 Sb6 102.193(9) . . ?
Ru2 Sb5 Sb6 101.128(7) . . ?
Ru2 Sb5 Ru1 102.820(7) . . ?
Sb6 Sb5 Ru1 57.534(5) . . ?
Ru2 Sb5 Sb2 56.603(6) . . ?
Sb6 Sb5 Sb2 99.972(8) . . ?
Ru1 Sb5 Sb2 57.428(5) . . ?
Ru1 Sb6 Sb5 61.266(8) . . ?
Ru1 Sb6 Sb4 106.818(8) . . ?
Sb5 Sb6 Sb4 73.431(6) . . ?
C11 C10 C14 107.70(18) . . ?
C11 C10 C15 125.4(2) . . ?
C14 C10 C15 126.8(2) . . ?
C11 C10 Ru1 71.66(11) . . ?
C14 C10 Ru1 70.93(11) . . ?
C15 C10 Ru1 125.98(15) . . ?
C12 C11 C10 108.13(16) . . ?
C12 C11 C16 126.1(2) . . ?
C10 C11 C16 125.6(2) . . ?
C12 C11 Ru1 72.14(11) . . ?
C10 C11 Ru1 70.08(11) . . ?
C16 C11 Ru1 126.95(14) . . ?
C11 C12 C13 108.64(17) . . ?
C11 C12 C17 125.71(18) . . ?
C13 C12 C17 125.29(19) . . ?
C11 C12 Ru1 70.62(11) . . ?
C13 C12 Ru1 70.43(11) . . ?
C17 C12 Ru1 130.27(15) . . ?
C14 C13 C12 107.67(17) . . ?
C14 C13 C18 125.64(18) . . ?
C12 C13 C18 126.15(19) . . ?
C14 C13 Ru1 70.24(11) . . ?
C12 C13 Ru1 71.76(11) . . ?
C18 C13 Ru1 129.99(15) . . ?
C13 C14 C10 107.85(17) . . ?
C13 C14 C19 125.17(19) . . ?
C10 C14 C19 126.8(2) . . ?
C13 C14 Ru1 71.71(11) . . ?
C10 C14 Ru1 70.64(11) . . ?
C19 C14 Ru1 126.76(15) . . ?
C10 C15 H15A 109.5 . . ?
C10 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C10 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C24 107.2(2) . . ?
C21 C20 C25 124.9(2) . . ?
C24 C20 C25 127.6(2) . . ?
C21 C20 Ru2 71.19(12) . . ?
C24 C20 Ru2 71.00(13) . . ?
C25 C20 Ru2 128.30(16) . . ?
C22 C21 C20 108.44(19) . . ?
C22 C21 C26 125.2(2) . . ?
C20 C21 C26 125.8(2) . . ?
C22 C21 Ru2 72.55(13) . . ?
C20 C21 Ru2 71.08(12) . . ?
C26 C21 Ru2 128.64(15) . . ?
C23 C22 C21 108.3(2) . . ?
C23 C22 C27 125.9(3) . . ?
C21 C22 C27 125.4(3) . . ?
C23 C22 Ru2 71.63(14) . . ?
C21 C22 Ru2 70.26(12) . . ?
C27 C22 Ru2 129.20(17) . . ?
C22 C23 C24 108.3(2) . . ?
C22 C23 C28 126.2(3) . . ?
C24 C23 C28 125.2(3) . . ?
C22 C23 Ru2 71.74(13) . . ?
C24 C23 Ru2 70.05(13) . . ?
C28 C23 Ru2 129.17(18) . . ?
C23 C24 C20 107.7(2) . . ?
C23 C24 C29 127.8(3) . . ?
C20 C24 C29 124.2(3) . . ?
C23 C24 Ru2 72.40(13) . . ?
C20 C24 Ru2 71.08(12) . . ?
C29 C24 Ru2 126.34(17) . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O12A K1 O21A 120.35(5) . . ?
O12A K1 O24A 98.87(5) . . ?
O21A K1 O24A 60.55(5) . . ?
O12A K1 O6A 97.81(5) . . ?
O21A K1 O6A 137.84(5) . . ?
O24A K1 O6A 98.92(5) . . ?
O12A K1 O15A 58.85(4) . . ?
O21A K1 O15A 95.19(5) . . ?
O24A K1 O15A 134.75(5) . . ?
O6A K1 O15A 121.36(5) . . ?
O12A K1 O3A 135.94(5) . . ?
O21A K1 O3A 97.80(5) . . ?
O24A K1 O3A 120.02(5) . . ?
O6A K1 O3A 58.82(5) . . ?
O15A K1 O3A 99.47(4) . . ?
O12A K1 N9A 61.29(5) . . ?
O21A K1 N9A 120.59(5) . . ?
O24A K1 N9A 60.83(5) . . ?
O6A K1 N9A 61.01(5) . . ?
O15A K1 N9A 119.75(5) . . ?
O3A K1 N9A 118.96(5) . . ?
O12A K1 N18A 118.48(5) . . ?
O21A K1 N18A 60.45(5) . . ?
O24A K1 N18A 120.17(5) . . ?
O6A K1 N18A 118.20(5) . . ?
O15A K1 N18A 59.90(5) . . ?
O3A K1 N18A 60.40(5) . . ?
N9A K1 N18A 178.95(5) . . ?
N18A C1A C2A 114.7(2) . . ?
N18A C1A H1A1 108.6 . . ?
C2A C1A H1A1 108.6 . . ?
N18A C1A H1A2 108.6 . . ?
C2A C1A H1A2 108.6 . . ?
H1A1 C1A H1A2 107.6 . . ?
O3A C2A C1A 109.5(2) . . ?
O3A C2A H2A1 109.8 . . ?
C1A C2A H2A1 109.8 . . ?
O3A C2A H2A2 109.8 . . ?
C1A C2A H2A2 109.8 . . ?
H2A1 C2A H2A2 108.2 . . ?
C2A O3A C4A 110.79(18) . . ?
C2A O3A K1 116.06(13) . . ?
C4A O3A K1 115.05(13) . . ?
O3A C4A C5A 108.96(19) . . ?
O3A C4A H4A1 109.9 . . ?
C5A C4A H4A1 109.9 . . ?
O3A C4A H4A2 109.9 . . ?
C5A C4A H4A2 109.9 . . ?
H4A1 C4A H4A2 108.3 . . ?
O6A C5A C4A 109.08(19) . . ?
O6A C5A H5A1 109.9 . . ?
C4A C5A H5A1 109.9 . . ?
O6A C5A H5A2 109.9 . . ?
C4A C5A H5A2 109.9 . . ?
H5A1 C5A H5A2 108.3 . . ?
C7A O6A C5A 110.42(17) . . ?
C7A O6A K1 114.93(12) . . ?
C5A O6A K1 115.75(14) . . ?
O6A C7A C8A 108.93(18) . . ?
O6A C7A H7A1 109.9 . . ?
C8A C7A H7A1 109.9 . . ?
O6A C7A H7A2 109.9 . . ?
C8A C7A H7A2 109.9 . . ?
H7A1 C7A H7A2 108.3 . . ?
N9A C8A C7A 113.6(2) . . ?
N9A C8A H8A1 108.8 . . ?
C7A C8A H8A1 108.8 . . ?
N9A C8A H8A2 108.8 . . ?
C7A C8A H8A2 108.8 . . ?
H8A1 C8A H8A2 107.7 . . ?
C10A N9A C8A 109.56(19) . . ?
C10A N9A C26A 110.11(19) . . ?
C8A N9A C26A 109.89(19) . . ?
C10A N9A K1 108.54(13) . . ?
C8A N9A K1 109.30(13) . . ?
C26A N9A K1 109.42(15) . . ?
N9A C10A C11A 114.96(18) . . ?
N9A C10A H10A 108.5 . . ?
C11A C10A H10A 108.5 . . ?
N9A C10A H10B 108.5 . . ?
C11A C10A H10B 108.5 . . ?
H10A C10A H10B 107.5 . . ?
O12A C11A C10A 109.24(19) . . ?
O12A C11A H11A 109.8 . . ?
C10A C11A H11A 109.8 . . ?
O12A C11A H11B 109.8 . . ?
C10A C11A H11B 109.8 . . ?
H11A C11A H11B 108.3 . . ?
C13A O12A C11A 111.56(16) . . ?
C13A O12A K1 122.21(12) . . ?
C11A O12A K1 119.48(12) . . ?
O12A C13A C14A 108.82(18) . . ?
O12A C13A H13A 109.9 . . ?
C14A C13A H13A 109.9 . . ?
O12A C13A H13B 109.9 . . ?
C14A C13A H13B 109.9 . . ?
H13A C13A H13B 108.3 . . ?
O15A C14A C13A 109.90(18) . . ?
O15A C14A H14A 109.7 . . ?
C13A C14A H14A 109.7 . . ?
O15A C14A H14B 109.7 . . ?
C13A C14A H14B 109.7 . . ?
H14A C14A H14B 108.2 . . ?
C16A O15A C14A 112.02(16) . . ?
C16A O15A K1 118.31(13) . . ?
C14A O15A K1 111.77(12) . . ?
O15A C16A C17A 109.20(18) . . ?
O15A C16A H16D 109.8 . . ?
C17A C16A H16D 109.8 . . ?
O15A C16A H16E 109.8 . . ?
C17A C16A H16E 109.8 . . ?
H16D C16A H16E 108.3 . . ?
N18A C17A C16A 114.57(19) . . ?
N18A C17A H17D 108.6 . . ?
C16A C17A H17D 108.6 . . ?
N18A C17A H17E 108.6 . . ?
C16A C17A H17E 108.6 . . ?
H17D C17A H17E 107.6 . . ?
C19A N18A C1A 109.70(19) . . ?
C19A N18A C17A 109.9(2) . . ?
C1A N18A C17A 110.60(18) . . ?
C19A N18A K1 108.89(13) . . ?
C1A N18A K1 108.82(14) . . ?
C17A N18A K1 108.86(13) . . ?
N18A C19A C20A 114.1(2) . . ?
N18A C19A H19D 108.7 . . ?
C20A C19A H19D 108.7 . . ?
N18A C19A H19E 108.7 . . ?
C20A C19A H19E 108.7 . . ?
H19D C19A H19E 107.6 . . ?
O21A C20A C19A 109.58(18) . . ?
O21A C20A H20A 109.8 . . ?
C19A C20A H20A 109.8 . . ?
O21A C20A H20B 109.8 . . ?
C19A C20A H20B 109.8 . . ?
H20A C20A H20B 108.2 . . ?
C22A O21A C20A 111.1(2) . . ?
C22A O21A K1 116.56(15) . . ?
C20A O21A K1 118.43(13) . . ?
O21A C22A C23A 109.3(2) . . ?
O21A C22A H22A 109.8 . . ?
C23A C22A H22A 109.8 . . ?
O21A C22A H22B 109.8 . . ?
C23A C22A H22B 109.8 . . ?
H22A C22A H22B 108.3 . . ?
O24A C23A C22A 109.8(2) . . ?
O24A C23A H23A 109.7 . . ?
C22A C23A H23A 109.7 . . ?
O24A C23A H23B 109.7 . . ?
C22A C23A H23B 109.7 . . ?
H23A C23A H23B 108.2 . . ?
C25A O24A C23A 110.9(2) . . ?
C25A O24A K1 115.82(14) . . ?
C23A O24A K1 112.33(14) . . ?
O24A C25A C26A 109.0(2) . . ?
O24A C25A H25D 109.9 . . ?
C26A C25A H25D 109.9 . . ?
O24A C25A H25E 109.9 . . ?
C26A C25A H25E 109.9 . . ?
H25D C25A H25E 108.3 . . ?
N9A C26A C25A 113.0(2) . . ?
N9A C26A H26D 109.0 . . ?
C25A C26A H26D 109.0 . . ?
N9A C26A H26E 109.0 . . ?
C25A C26A H26E 109.0 . . ?
H26D C26A H26E 107.8 . . ?
O24B K2 O15B 119.84(5) . . ?
O24B K2 O12B 98.27(5) . . ?
O15B K2 O12B 60.57(5) . . ?
O24B K2 O6B 97.10(5) . . ?
O15B K2 O6B 138.42(5) . . ?
O12B K2 O6B 98.20(5) . . ?
O24B K2 O21B 61.34(5) . . ?
O15B K2 O21B 99.11(5) . . ?
O12B K2 O21B 141.02(5) . . ?
O6B K2 O21B 116.11(5) . . ?
O24B K2 O3B 138.28(5) . . ?
O15B K2 O3B 96.92(5) . . ?
O12B K2 O3B 117.90(5) . . ?
O6B K2 O3B 59.75(4) . . ?
O21B K2 O3B 96.10(5) . . ?
O24B K2 N9B 60.28(5) . . ?
O15B K2 N9B 120.41(5) . . ?
O12B K2 N9B 60.82(6) . . ?
O6B K2 N9B 60.46(5) . . ?
O21B K2 N9B 120.09(5) . . ?
O3B K2 N9B 118.99(5) . . ?
O24B K2 N18B 120.44(5) . . ?
O15B K2 N18B 60.21(5) . . ?
O12B K2 N18B 119.59(6) . . ?
O6B K2 N18B 118.40(5) . . ?
O21B K2 N18B 60.40(5) . . ?
O3B K2 N18B 59.86(4) . . ?
N9B K2 N18B 178.84(5) . . ?
N18B C1B C2B 113.4(2) . . ?
N18B C1B H1B1 108.9 . . ?
C2B C1B H1B1 108.9 . . ?
N18B C1B H1B2 108.9 . . ?
C2B C1B H1B2 108.9 . . ?
H1B1 C1B H1B2 107.7 . . ?
O3B C2B C1B 108.93(18) . . ?
O3B C2B H2B1 109.9 . . ?
C1B C2B H2B1 109.9 . . ?
O3B C2B H2B2 109.9 . . ?
C1B C2B H2B2 109.9 . . ?
H2B1 C2B H2B2 108.3 . . ?
C2B O3B C4B 111.01(17) . . ?
C2B O3B K2 118.83(12) . . ?
C4B O3B K2 114.29(12) . . ?
O3B C4B C5B 109.96(18) . . ?
O3B C4B H4B1 109.7 . . ?
C5B C4B H4B1 109.7 . . ?
O3B C4B H4B2 109.7 . . ?
C5B C4B H4B2 109.7 . . ?
H4B1 C4B H4B2 108.2 . . ?
O6B C5B C4B 109.42(18) . . ?
O6B C5B H5B1 109.8 . . ?
C4B C5B H5B1 109.8 . . ?
O6B C5B H5B2 109.8 . . ?
C4B C5B H5B2 109.8 . . ?
H5B1 C5B H5B2 108.2 . . ?
C7B O6B C5B 110.85(16) . . ?
C7B O6B K2 119.69(13) . . ?
C5B O6B K2 115.65(12) . . ?
O6B C7B C8B 109.47(17) . . ?
O6B C7B H7B1 109.8 . . ?
C8B C7B H7B1 109.8 . . ?
O6B C7B H7B2 109.8 . . ?
C8B C7B H7B2 109.8 . . ?
H7B1 C7B H7B2 108.2 . . ?
N9B C8B C7B 114.00(19) . . ?
N9B C8B H8B1 108.8 . . ?
C7B C8B H8B1 108.8 . . ?
N9B C8B H8B2 108.8 . . ?
C7B C8B H8B2 108.8 . . ?
H8B1 C8B H8B2 107.6 . . ?
C26B N9B C10B 110.6(2) . . ?
C26B N9B C8B 110.5(2) . . ?
C10B N9B C8B 110.52(18) . . ?
C26B N9B K2 108.34(13) . . ?
C10B N9B K2 107.76(15) . . ?
C8B N9B K2 109.06(13) . . ?
N9B C10B C11B 114.5(2) . . ?
N9B C10B H10C 108.6 . . ?
C11B C10B H10C 108.6 . . ?
N9B C10B H10D 108.6 . . ?
C11B C10B H10D 108.6 . . ?
H10C C10B H10D 107.6 . . ?
O12B C11B C10B 109.2(2) . . ?
O12B C11B H11C 109.8 . . ?
C10B C11B H11C 109.8 . . ?
O12B C11B H11D 109.8 . . ?
C10B C11B H11D 109.8 . . ?
H11C C11B H11D 108.3 . . ?
C11B O12B C13B 110.94(19) . . ?
C11B O12B K2 119.78(14) . . ?
C13B O12B K2 113.47(14) . . ?
O12B C13B C14B 109.1(2) . . ?
O12B C13B H13C 109.9 . . ?
C14B C13B H13C 109.9 . . ?
O12B C13B H13D 109.9 . . ?
C14B C13B H13D 109.9 . . ?
H13C C13B H13D 108.3 . . ?
O15B C14B C13B 109.2(2) . . ?
O15B C14B H14C 109.8 . . ?
C13B C14B H14C 109.8 . . ?
O15B C14B H14D 109.8 . . ?
C13B C14B H14D 109.8 . . ?
H14C C14B H14D 108.3 . . ?
C16B O15B C14B 111.56(19) . . ?
C16B O15B K2 120.49(13) . . ?
C14B O15B K2 116.28(15) . . ?
O15B C16B C17B 109.2(2) . . ?
O15B C16B H16F 109.8 . . ?
C17B C16B H16F 109.8 . . ?
O15B C16B H16G 109.8 . . ?
C17B C16B H16G 109.8 . . ?
H16F C16B H16G 108.3 . . ?
N18B C17B C16B 114.0(2) . . ?
N18B C17B H17F 108.7 . . ?
C16B C17B H17F 108.7 . . ?
N18B C17B H17G 108.7 . . ?
C16B C17B H17G 108.7 . . ?
H17F C17B H17G 107.6 . . ?
C19B N18B C1B 110.62(19) . . ?
C19B N18B C17B 110.00(19) . . ?
C1B N18B C17B 110.21(19) . . ?
C19B N18B K2 108.97(14) . . ?
C1B N18B K2 109.11(13) . . ?
C17B N18B K2 107.87(13) . . ?
N18B C19B C20B 114.0(2) . . ?
N18B C19B H19F 108.7 . . ?
C20B C19B H19F 108.7 . . ?
N18B C19B H19G 108.7 . . ?
C20B C19B H19G 108.7 . . ?
H19F C19B H19G 107.6 . . ?
O21B C20B C19B 109.44(19) . . ?
O21B C20B H20C 109.8 . . ?
C19B C20B H20C 109.8 . . ?
O21B C20B H20D 109.8 . . ?
C19B C20B H20D 109.8 . . ?
H20C C20B H20D 108.2 . . ?
C20B O21B C22B 109.92(17) . . ?
C20B O21B K2 117.82(13) . . ?
C22B O21B K2 111.31(13) . . ?
O21B C22B C23B 110.16(19) . . ?
O21B C22B H22C 109.6 . . ?
C23B C22B H22C 109.6 . . ?
O21B C22B H22D 109.6 . . ?
C23B C22B H22D 109.6 . . ?
H22C C22B H22D 108.1 . . ?
O24B C23B C22B 109.7(2) . . ?
O24B C23B H23C 109.7 . . ?
C22B C23B H23C 109.7 . . ?
O24B C23B H23D 109.7 . . ?
C22B C23B H23D 109.7 . . ?
H23C C23B H23D 108.2 . . ?
C25B O24B C23B 111.70(19) . . ?
C25B O24B K2 121.70(13) . . ?
C23B O24B K2 115.62(14) . . ?
O24B C25B C26B 109.7(2) . . ?
O24B C25B H25F 109.7 . . ?
C26B C25B H25F 109.7 . . ?
O24B C25B H25G 109.7 . . ?
C26B C25B H25G 109.7 . . ?
H25F C25B H25G 108.2 . . ?
N9B C26B C25B 114.1(2) . . ?
N9B C26B H26F 108.7 . . ?
C25B C26B H26F 108.7 . . ?
N9B C26B H26G 108.7 . . ?
C25B C26B H26G 108.7 . . ?
H26F C26B H26G 107.6 . . ?
C2C C1C H1C1 109.5 . . ?
C2C C1C H1C2 109.5 . . ?
H1C1 C1C H1C2 109.5 . . ?
C2C C1C H1C3 109.5 . . ?
H1C1 C1C H1C3 109.5 . . ?
H1C2 C1C H1C3 109.5 . . ?
C3C C2C C7C 118.3(3) . . ?
C3C C2C C1C 120.6(3) . . ?
C7C C2C C1C 121.0(3) . . ?
C4C C3C C2C 122.7(3) . . ?
C4C C3C H3C 118.7 . . ?
C2C C3C H3C 118.7 . . ?
C3C C4C C5C 119.1(3) . . ?
C3C C4C H4C 120.5 . . ?
C5C C4C H4C 120.5 . . ?
C6C C5C C4C 121.8(3) . . ?
C6C C5C H5C 119.1 . . ?
C4C C5C H5C 119.1 . . ?
C5C C6C C7C 118.6(3) . . ?
C5C C6C H6C 120.7 . . ?
C7C C6C H6C 120.7 . . ?
C2C C7C C6C 119.5(3) . . ?
C2C C7C H7C 120.3 . . ?
C6C C7C H7C 120.3 . . ?
C2D C1D H1D1 109.5 . . ?
C2D C1D H1D2 109.5 . . ?
H1D1 C1D H1D2 109.5 . . ?
C2D C1D H1D3 109.5 . . ?
H1D1 C1D H1D3 109.5 . . ?
H1D2 C1D H1D3 109.5 . . ?
C3D C2D C7D 120.0 . . ?
C3D C2D C1D 120.5(3) . . ?
C7D C2D C1D 119.5(3) . . ?
C2D C3D C4D 120.0 . . ?
C2D C3D H3D 120.0 . . ?
C4D C3D H3D 120.0 . . ?
C5D C4D C3D 120.0 . . ?
C5D C4D H4D 120.0 . . ?
C3D C4D H4D 120.0 . . ?
C6D C5D C4D 120.0 . . ?
C6D C5D H5D 120.0 . . ?
C4D C5D H5D 120.0 . . ?
C7D C6D C5D 120.0 . . ?
C7D C6D H6D 120.0 . . ?
C5D C6D H6D 120.0 . . ?
C6D C7D C2D 120.0 . . ?
C6D C7D H7D 120.0 . . ?
C2D C7D H7D 120.0 . . ?
C2E C1E H1E1 109.5 . . ?
C2E C1E H1E2 109.5 . . ?
H1E1 C1E H1E2 109.5 . . ?
C2E C1E H1E3 109.5 . . ?
H1E1 C1E H1E3 109.5 . . ?
H1E2 C1E H1E3 109.5 . . ?
C3E C2E C7E 120.0 . . ?
C3E C2E C1E 119.5(4) . . ?
C7E C2E C1E 120.3(4) . . ?
C2E C3E C4E 120.0 . . ?
C2E C3E H3E 120.0 . . ?
C4E C3E H3E 120.0 . . ?
C3E C4E C5E 120.0 . . ?
C3E C4E H4E 120.0 . . ?
C5E C4E H4E 120.0 . . ?
C6E C5E C4E 120.0 . . ?
C6E C5E H5E 120.0 . . ?
C4E C5E H5E 120.0 . . ?
C5E C6E C7E 120.0 . . ?
C5E C6E H6E 120.0 . . ?
C7E C6E H6E 120.0 . . ?
C6E C7E C2E 120.0 . . ?
C6E C7E H7E 120.0 . . ?
C2E C7E H7E 120.0 . . ?
C2F C1F H1F1 109.5 . . ?
C2F C1F H1F2 109.5 . . ?
H1F1 C1F H1F2 109.5 . . ?
C2F C1F H1F3 109.5 . . ?
H1F1 C1F H1F3 109.5 . . ?
H1F2 C1F H1F3 109.5 . . ?
C3F C2F C7F 120.0 . . ?
C3F C2F C1F 121.3(4) . . ?
C7F C2F C1F 118.7(4) . . ?
C2F C3F C4F 120.0 . . ?
C2F C3F H3F 120.0 . . ?
C4F C3F H3F 120.0 . . ?
C5F C4F C3F 120.0 . . ?
C5F C4F H4F 120.0 . . ?
C3F C4F H4F 120.0 . . ?
C4F C5F C6F 120.0 . . ?
C4F C5F H5F 120.0 . . ?
C6F C5F H5F 120.0 . . ?
C7F C6F C5F 120.0 . . ?
C7F C6F H6F 120.0 . . ?
C5F C6F H6F 120.0 . . ?
C6F C7F C2F 120.0 . . ?
C6F C7F H7F 120.0 . . ?
C2F C7F H7F 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C14 C10 C11 C12 -0.3(2) . . . . ?
C15 C10 C11 C12 175.9(2) . . . . ?
Ru1 C10 C11 C12 -62.49(14) . . . . ?
C14 C10 C11 C16 -176.05(19) . . . . ?
C15 C10 C11 C16 0.2(3) . . . . ?
Ru1 C10 C11 C16 121.8(2) . . . . ?
C14 C10 C11 Ru1 62.15(14) . . . . ?
C15 C10 C11 Ru1 -121.6(2) . . . . ?
C10 C11 C12 C13 0.7(2) . . . . ?
C16 C11 C12 C13 176.42(19) . . . . ?
Ru1 C11 C12 C13 -60.44(14) . . . . ?
C10 C11 C12 C17 -172.59(19) . . . . ?
C16 C11 C12 C17 3.1(3) . . . . ?
Ru1 C11 C12 C17 126.2(2) . . . . ?
C10 C11 C12 Ru1 61.18(14) . . . . ?
C16 C11 C12 Ru1 -123.1(2) . . . . ?
C11 C12 C13 C14 -0.8(2) . . . . ?
C17 C12 C13 C14 172.52(19) . . . . ?
Ru1 C12 C13 C14 -61.41(13) . . . . ?
C11 C12 C13 C18 -172.77(19) . . . . ?
C17 C12 C13 C18 0.6(3) . . . . ?
Ru1 C12 C13 C18 126.7(2) . . . . ?
C11 C12 C13 Ru1 60.56(14) . . . . ?
C17 C12 C13 Ru1 -126.1(2) . . . . ?
C12 C13 C14 C10 0.6(2) . . . . ?
C18 C13 C14 C10 172.61(19) . . . . ?
Ru1 C13 C14 C10 -61.75(14) . . . . ?
C12 C13 C14 C19 -175.1(2) . . . . ?
C18 C13 C14 C19 -3.1(3) . . . . ?
Ru1 C13 C14 C19 122.6(2) . . . . ?
C12 C13 C14 Ru1 62.38(13) . . . . ?
C18 C13 C14 Ru1 -125.6(2) . . . . ?
C11 C10 C14 C13 -0.2(2) . . . . ?
C15 C10 C14 C13 -176.4(2) . . . . ?
Ru1 C10 C14 C13 62.44(14) . . . . ?
C11 C10 C14 C19 175.4(2) . . . . ?
C15 C10 C14 C19 -0.8(4) . . . . ?
Ru1 C10 C14 C19 -122.0(2) . . . . ?
C11 C10 C14 Ru1 -62.62(14) . . . . ?
C15 C10 C14 Ru1 121.2(2) . . . . ?
C24 C20 C21 C22 -1.1(2) . . . . ?
C25 C20 C21 C22 172.5(2) . . . . ?
Ru2 C20 C21 C22 -63.35(15) . . . . ?
C24 C20 C21 C26 -173.2(2) . . . . ?
C25 C20 C21 C26 0.4(3) . . . . ?
Ru2 C20 C21 C26 124.5(2) . . . . ?
C24 C20 C21 Ru2 62.27(14) . . . . ?
C25 C20 C21 Ru2 -124.1(2) . . . . ?
C20 C21 C22 C23 0.6(2) . . . . ?
C26 C21 C22 C23 172.7(2) . . . . ?
Ru2 C21 C22 C23 -61.86(16) . . . . ?
C20 C21 C22 C27 -172.9(2) . . . . ?
C26 C21 C22 C27 -0.7(4) . . . . ?
Ru2 C21 C22 C27 124.7(2) . . . . ?
C20 C21 C22 Ru2 62.41(14) . . . . ?
C26 C21 C22 Ru2 -125.4(2) . . . . ?
C21 C22 C23 C24 0.2(3) . . . . ?
C27 C22 C23 C24 173.6(2) . . . . ?
Ru2 C22 C23 C24 -60.79(16) . . . . ?
C21 C22 C23 C28 -173.4(2) . . . . ?
C27 C22 C23 C28 0.1(4) . . . . ?
Ru2 C22 C23 C28 125.6(3) . . . . ?
C21 C22 C23 Ru2 60.99(15) . . . . ?
C27 C22 C23 Ru2 -125.6(2) . . . . ?
C22 C23 C24 C20 -0.9(3) . . . . ?
C28 C23 C24 C20 172.8(2) . . . . ?
Ru2 C23 C24 C20 -62.73(15) . . . . ?
C22 C23 C24 C29 -175.4(2) . . . . ?
C28 C23 C24 C29 -1.8(4) . . . . ?
Ru2 C23 C24 C29 122.7(2) . . . . ?
C22 C23 C24 Ru2 61.86(16) . . . . ?
C28 C23 C24 Ru2 -124.5(2) . . . . ?
C21 C20 C24 C23 1.2(2) . . . . ?
C25 C20 C24 C23 -172.2(2) . . . . ?
Ru2 C20 C24 C23 63.58(16) . . . . ?
C21 C20 C24 C29 176.0(2) . . . . ?
C25 C20 C24 C29 2.6(4) . . . . ?
Ru2 C20 C24 C29 -121.6(2) . . . . ?
C21 C20 C24 Ru2 -62.40(14) . . . . ?
C25 C20 C24 Ru2 124.2(2) . . . . ?
N18A C1A C2A O3A 65.9(3) . . . . ?
C1A C2A O3A C4A 176.8(2) . . . . ?
C1A C2A O3A K1 -49.6(2) . . . . ?
C2A O3A C4A C5A -177.2(2) . . . . ?
K1 O3A C4A C5A 48.7(2) . . . . ?
O3A C4A C5A O6A -65.0(3) . . . . ?
C4A C5A O6A C7A -178.1(2) . . . . ?
C4A C5A O6A K1 49.2(2) . . . . ?
C5A O6A C7A C8A 174.9(2) . . . . ?
K1 O6A C7A C8A -51.9(2) . . . . ?
O6A C7A C8A N9A 67.0(3) . . . . ?
C7A C8A N9A C10A -163.28(19) . . . . ?
C7A C8A N9A C26A 75.6(3) . . . . ?
C7A C8A N9A K1 -44.5(2) . . . . ?
C8A N9A C10A C11A 76.4(2) . . . . ?
C26A N9A C10A C11A -162.6(2) . . . . ?
K1 N9A C10A C11A -42.8(2) . . . . ?
N9A C10A C11A O12A 60.7(3) . . . . ?
C10A C11A O12A C13A 161.88(18) . . . . ?
C10A C11A O12A K1 -46.3(2) . . . . ?
C11A O12A C13A C14A -173.93(17) . . . . ?
K1 O12A C13A C14A 35.1(2) . . . . ?
O12A C13A C14A O15A -58.8(2) . . . . ?
C13A C14A O15A C16A -170.28(18) . . . . ?
C13A C14A O15A K1 54.3(2) . . . . ?
C14A O15A C16A C17A -178.05(19) . . . . ?
K1 O15A C16A C17A -45.8(2) . . . . ?
O15A C16A C17A N18A 64.1(3) . . . . ?
C2A C1A N18A C19A -163.9(2) . . . . ?
C2A C1A N18A C17A 74.6(3) . . . . ?
C2A C1A N18A K1 -44.9(2) . . . . ?
C16A C17A N18A C19A 72.0(2) . . . . ?
C16A C17A N18A C1A -166.7(2) . . . . ?
C16A C17A N18A K1 -47.2(2) . . . . ?
C1A N18A C19A C20A 76.1(2) . . . . ?
C17A N18A C19A C20A -162.03(19) . . . . ?
K1 N18A C19A C20A -42.8(2) . . . . ?
N18A C19A C20A O21A 62.9(3) . . . . ?
C19A C20A O21A C22A 171.9(2) . . . . ?
C19A C20A O21A K1 -49.2(2) . . . . ?
C20A O21A C22A C23A -176.0(2) . . . . ?
K1 O21A C22A C23A 44.2(3) . . . . ?
O21A C22A C23A O24A -64.4(3) . . . . ?
C22A C23A O24A C25A -177.2(2) . . . . ?
C22A C23A O24A K1 51.4(3) . . . . ?
C23A O24A C25A C26A 178.7(2) . . . . ?
K1 O24A C25A C26A -51.7(2) . . . . ?
C10A N9A C26A C25A 74.6(3) . . . . ?
C8A N9A C26A C25A -164.6(2) . . . . ?
K1 N9A C26A C25A -44.6(3) . . . . ?
O24A C25A C26A N9A 66.4(3) . . . . ?
N18B C1B C2B O3B -64.3(3) . . . . ?
C1B C2B O3B C4B -177.98(19) . . . . ?
C1B C2B O3B K2 46.4(2) . . . . ?
C2B O3B C4B C5B 174.50(19) . . . . ?
K2 O3B C4B C5B -47.8(2) . . . . ?
O3B C4B C5B O6B 64.0(2) . . . . ?
C4B C5B O6B C7B 171.61(19) . . . . ?
C4B C5B O6B K2 -48.0(2) . . . . ?
C5B O6B C7B C8B -179.1(2) . . . . ?
K2 O6B C7B C8B 42.3(2) . . . . ?
O6B C7B C8B N9B -61.5(3) . . . . ?
C7B C8B N9B C26B 166.6(2) . . . . ?
C7B C8B N9B C10B -70.7(3) . . . . ?
C7B C8B N9B K2 47.6(2) . . . . ?
C26B N9B C10B C11B -69.8(3) . . . . ?
C8B N9B C10B C11B 167.5(2) . . . . ?
K2 N9B C10B C11B 48.4(2) . . . . ?
N9B C10B C11B O12B -62.5(3) . . . . ?
C10B C11B O12B C13B 177.4(2) . . . . ?
C10B C11B O12B K2 42.2(3) . . . . ?
C11B O12B C13B C14B 169.5(2) . . . . ?
K2 O12B C13B C14B -52.3(2) . . . . ?
O12B C13B C14B O15B 63.7(3) . . . . ?
C13B C14B O15B C16B 173.3(2) . . . . ?
C13B C14B O15B K2 -43.3(2) . . . . ?
C14B O15B C16B C17B -173.7(2) . . . . ?
K2 O15B C16B C17B 44.6(2) . . . . ?
O15B C16B C17B N18B -62.5(3) . . . . ?
C2B C1B N18B C19B -72.3(3) . . . . ?
C2B C1B N18B C17B 165.8(2) . . . . ?
C2B C1B N18B K2 47.5(2) . . . . ?
C16B C17B N18B C19B 165.7(2) . . . . ?
C16B C17B N18B C1B -72.1(2) . . . . ?
C16B C17B N18B K2 46.9(2) . . . . ?
C1B N18B C19B C20B 164.3(2) . . . . ?
C17B N18B C19B C20B -73.7(3) . . . . ?
K2 N18B C19B C20B 44.4(2) . . . . ?
N18B C19B C20B O21B -64.0(3) . . . . ?
C19B C20B O21B C22B 177.7(2) . . . . ?
C19B C20B O21B K2 48.8(2) . . . . ?
C20B O21B C22B C23B 176.4(2) . . . . ?
K2 O21B C22B C23B -51.2(2) . . . . ?
O21B C22B C23B O24B 65.3(3) . . . . ?
C22B C23B O24B C25B 170.5(2) . . . . ?
C22B C23B O24B K2 -44.7(3) . . . . ?
C23B O24B C25B C26B -178.0(2) . . . . ?
K2 O24B C25B C26B 39.6(3) . . . . ?
C10B N9B C26B C25B 165.7(2) . . . . ?
C8B N9B C26B C25B -71.6(3) . . . . ?
K2 N9B C26B C25B 47.8(3) . . . . ?
O24B C25B C26B N9B -59.6(3) . . . . ?
C7C C2C C3C C4C 0.0(4) . . . . ?
C1C C2C C3C C4C -176.4(3) . . . . ?
C2C C3C C4C C5C -0.3(4) . . . . ?
C3C C4C C5C C6C 0.3(4) . . . . ?
C4C C5C C6C C7C 0.2(4) . . . . ?
C3C C2C C7C C6C 0.5(4) . . . . ?
C1C C2C C7C C6C 176.8(3) . . . . ?
C5C C6C C7C C2C -0.5(4) . . . . ?
C7D C2D C3D C4D 0.0 . . . . ?
C1D C2D C3D C4D -177.4(7) . . . . ?
C2D C3D C4D C5D 0.0 . . . . ?
C3D C4D C5D C6D 0.0 . . . . ?
C4D C5D C6D C7D 0.0 . . . . ?
C5D C6D C7D C2D 0.0 . . . . ?
C3D C2D C7D C6D 0.0 . . . . ?
C1D C2D C7D C6D 177.4(7) . . . . ?
C7E C2E C3E C4E 0.0 . . . . ?
C1E C2E C3E C4E -175.0(9) . . . . ?
C2E C3E C4E C5E 0.0 . . . . ?
C3E C4E C5E C6E 0.0 . . . . ?
C4E C5E C6E C7E 0.0 . . . . ?
C5E C6E C7E C2E 0.0 . . . . ?
C3E C2E C7E C6E 0.0 . . . . ?
C1E C2E C7E C6E 175.0(9) . . . . ?
C7F C2F C3F C4F 0.0 . . . . ?
C1F C2F C3F C4F 178.2(16) . . . . ?
C2F C3F C4F C5F 0.0 . . . . ?
C3F C4F C5F C6F 0.0 . . . . ?
C4F C5F C6F C7F 0.0 . . . . ?
C5F C6F C7F C2F 0.0 . . . . ?
C3F C2F C7F C6F 0.0 . . . . ?
C1F C2F C7F C6F -178.2(16) . . . . ?

_refine_diff_density_max         0.895
_refine_diff_density_min         -0.626
_refine_diff_density_rms         0.086



_diffrn_radiation_monochromator  graphite
_diffrn_orient_matrix_type       standard
_diffrn_orient_matrix_UB_11      0.0758820
_diffrn_orient_matrix_UB_12      -0.0155066
_diffrn_orient_matrix_UB_13      -0.0141118
_diffrn_orient_matrix_UB_21      -0.0090702
_diffrn_orient_matrix_UB_22      0.0589819
_diffrn_orient_matrix_UB_23      -0.0251462
_diffrn_orient_matrix_UB_31      0.0173136
_diffrn_orient_matrix_UB_32      0.0383453
_diffrn_orient_matrix_UB_33      0.0312806
_diffrn_measurement_specimen_support 'MiTeGen loop'
_diffrn_detector                 'CCD area detector'
