#------------------------------------------------------------------------------
#$Date: 2020-10-06 09:20:01 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/70/7127025.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7127025
loop_
_publ_author_name
'Li, Ai-Min'
'Wang, Yi'
'Zavalij, Peter Y.'
'Chen, Fu'
'Muñoz-Castro, Alvaro'
'Eichhorn, Bryan W.'
_publ_section_title
;
 [Cp*RuPb₁₁]³⁻ and
 [Cu@Cp*RuPb₁₁]²⁻: centered and non-centered
 transition-metal substituted zintl icosahedra.
;
_journal_issue                   74
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10859
_journal_page_last               10862
_journal_paper_doi               10.1039/d0cc03656k
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety
'2(C10 H15 Cu Pb11 Ru), 4(C12 H24 K O6), 3(C7 H8)'
_chemical_formula_sum            'C89 H150 Cu2 K4 O24 Pb22 Ru2'
_chemical_formula_weight         6647.88
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Hygroscopic,Heat-sensitive,Oxygen-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'SHELXL-2015 & ZCIF'
_audit_update_record
;
2020-04-24 deposited with the CCDC.	2020-08-06 downloaded from the CCDC.
;
_cell_angle_alpha                92.8432(11)
_cell_angle_beta                 104.2737(11)
_cell_angle_gamma                102.1908(10)
_cell_formula_units_Z            1
_cell_length_a                   13.1800(9)
_cell_length_b                   13.1850(9)
_cell_length_c                   20.7259(14)
_cell_measurement_reflns_used    13347
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      2.2
_cell_volume                     3392.1(4)
_computing_cell_refinement       'Apex2, Saint'
_computing_data_collection       'Apex2 (Bruker, 2010)'
_computing_data_reduction        'Apex2, Saint'
_computing_molecular_graphics    'Olex2 (Dolomanov, 2009)'
_computing_publication_material  'Apex2, SHELXL-2015, Platon (Spek, 2015)'
_computing_structure_refinement  'ShelXL-2015 (Sheldrick, 2015c)'
_computing_structure_solution    'ShelXT-2014 (Sheldrick, 2015a)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD area detector'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Bruker Smart Apex II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_measurement_specimen_support 'MiTeGen loop'
_diffrn_orient_matrix_type       standard
_diffrn_orient_matrix_UB_11      0.0760198
_diffrn_orient_matrix_UB_12      0.0004192
_diffrn_orient_matrix_UB_13      0.0016771
_diffrn_orient_matrix_UB_21      0.0071724
_diffrn_orient_matrix_UB_22      0.0274374
_diffrn_orient_matrix_UB_23      0.0498804
_diffrn_orient_matrix_UB_31      -0.0161381
_diffrn_orient_matrix_UB_32      -0.0756378
_diffrn_orient_matrix_UB_33      0.0040786
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0684
_diffrn_reflns_av_unetI/netI     0.0904
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            50338
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_min         1.589
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    27.875
_exptl_absorpt_correction_T_max  0.800
_exptl_absorpt_correction_T_min  0.062
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   'XPREP (Bruker, 2010)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.254
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2902
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.175
_exptl_crystal_size_min          0.008
_refine_diff_density_max         2.470
_refine_diff_density_min         -1.865
_refine_diff_density_rms         0.235
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.956
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     854
_refine_ls_number_reflns         19178
_refine_ls_number_restraints     979
_refine_ls_restrained_S_all      0.946
_refine_ls_R_factor_all          0.0830
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0011P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0517
_refine_ls_wR_factor_ref         0.0552
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10558
_reflns_number_total             19178
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc03656k2.cif
_cod_data_source_block           UM3286L
_cod_depositor_comments
'Adding full bibliography for 7127024--7127025.cif.'
_cod_database_code               7127025
_shelx_shelxl_version_number     2017/1
_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.
;
_shelx_estimated_absorpt_t_min   0.025
_shelx_estimated_absorpt_t_max   0.808
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Cu1 Cu 0.66925(7) 0.92346(6) 0.69031(5) 0.0332(2) Uani 1 1 d . . . . .
Pb1 Pb 0.66446(3) 0.95676(2) 0.54390(2) 0.04377(9) Uani 1 1 d . . . . .
Pb2 Pb 0.85117(2) 0.87584(2) 0.64401(2) 0.04313(9) Uani 1 1 d . . . . .
Pb3 Pb 0.83145(2) 1.10632(2) 0.66978(2) 0.04229(10) Uani 1 1 d . . . . .
Pb4 Pb 0.58202(2) 1.10534(2) 0.63384(2) 0.04344(10) Uani 1 1 d . . . . .
Pb5 Pb 0.45079(2) 0.87230(2) 0.58723(2) 0.04196(9) Uani 1 1 d . . . . .
Pb6 Pb 0.61839(2) 0.72829(2) 0.59550(2) 0.04047(9) Uani 1 1 d . . . . .
Pb7 Pb 0.71801(2) 1.11126(2) 0.79118(2) 0.04143(9) Uani 1 1 d . . . . .
Pb8 Pb 0.49124(2) 0.96902(2) 0.74309(2) 0.03959(9) Uani 1 1 d . . . . .
Pb9 Pb 0.51081(2) 0.74478(2) 0.71888(2) 0.03490(8) Uani 1 1 d . . . . .
Pb10 Pb 0.75225(2) 0.74606(2) 0.75271(2) 0.03781(9) Uani 1 1 d . . . . .
Pb11 Pb 0.87947(2) 0.97164(2) 0.79756(2) 0.04014(9) Uani 1 1 d . . . . .
Ru1 Ru 0.67139(5) 0.89525(4) 0.82569(4) 0.03329(17) Uani 1 1 d . . . . .
C1 C 0.7562(7) 0.8441(6) 0.9213(5) 0.053(2) Uani 1 1 d . . . . .
C2 C 0.7498(7) 0.9498(6) 0.9323(5) 0.045(2) Uani 1 1 d . . . . .
C3 C 0.6394(6) 0.9578(5) 0.9194(4) 0.0330(19) Uani 1 1 d . . . . .
C4 C 0.5738(6) 0.8509(5) 0.8962(4) 0.036(2) Uani 1 1 d . . . . .
C5 C 0.6423(6) 0.7797(5) 0.8962(4) 0.036(2) Uani 1 1 d . . . . .
C6 C 0.8505(7) 0.8023(7) 0.9404(6) 0.080(3) Uani 1 1 d . . . . .
H6A H 0.914818 0.857540 0.943577 0.120 Uiso 1 1 calc R U . . .
H6B H 0.846264 0.745724 0.906604 0.120 Uiso 1 1 calc R U . . .
H6C H 0.854537 0.775153 0.983865 0.120 Uiso 1 1 calc R U . . .
C7 C 0.8422(7) 1.0376(7) 0.9646(5) 0.074(3) Uani 1 1 d . . . . .
H7A H 0.852692 1.042650 1.013277 0.112 Uiso 1 1 calc R U . . .
H7B H 0.827699 1.102862 0.948099 0.112 Uiso 1 1 calc R U . . .
H7C H 0.907335 1.025423 0.953936 0.112 Uiso 1 1 calc R U . . .
C8 C 0.6003(8) 1.0502(5) 0.9347(5) 0.071(3) Uani 1 1 d . . . . .
H8A H 0.582416 1.046432 0.977883 0.106 Uiso 1 1 calc R U . . .
H8B H 0.535904 1.052436 0.899539 0.106 Uiso 1 1 calc R U . . .
H8C H 0.656381 1.113291 0.937061 0.106 Uiso 1 1 calc R U . . .
C9 C 0.4538(6) 0.8208(6) 0.8854(5) 0.054(3) Uani 1 1 d . . . . .
H9A H 0.424102 0.756282 0.854819 0.081 Uiso 1 1 calc R U . . .
H9B H 0.422003 0.876741 0.865822 0.081 Uiso 1 1 calc R U . . .
H9C H 0.436963 0.809653 0.928329 0.081 Uiso 1 1 calc R U . . .
C10 C 0.6142(7) 0.6660(5) 0.8904(5) 0.055(3) Uani 1 1 d . . . . .
H10A H 0.620936 0.642648 0.935119 0.082 Uiso 1 1 calc R U . . .
H10B H 0.662963 0.638561 0.869099 0.082 Uiso 1 1 calc R U . . .
H10C H 0.539977 0.640336 0.863156 0.082 Uiso 1 1 calc R U . . .
K1 K 0.40727(13) 1.22309(11) 0.76542(10) 0.0438(5) Uani 1 1 d . . . . .
C1A C 0.3119(7) 1.1209(7) 0.9061(4) 0.074(3) Uani 1 1 d D . . . .
H1A1 H 0.359061 1.070841 0.912220 0.089 Uiso 1 1 calc R U . . .
H1A2 H 0.255069 1.098558 0.929455 0.089 Uiso 1 1 calc R U . . .
O2A O 0.2661(4) 1.1229(4) 0.8389(3) 0.0548(17) Uani 1 1 d D . . . .
C3A C 0.2094(6) 1.0233(5) 0.8057(4) 0.056(3) Uani 1 1 d D . . . .
H3A1 H 0.160878 0.988196 0.831614 0.067 Uiso 1 1 calc R U . . .
H3A2 H 0.260685 0.979659 0.801939 0.067 Uiso 1 1 calc R U . . .
C4A C 0.1446(6) 1.0362(6) 0.7368(4) 0.058(3) Uani 1 1 d D . . . .
H4A1 H 0.104402 0.966950 0.712923 0.070 Uiso 1 1 calc R U . . .
H4A2 H 0.092008 1.078240 0.740668 0.070 Uiso 1 1 calc R U . . .
O5A O 0.2133(4) 1.0854(3) 0.7012(3) 0.0469(16) Uani 1 1 d D . . . .
C6A C 0.1547(6) 1.1141(6) 0.6406(4) 0.056(3) Uani 1 1 d D . . . .
H6A1 H 0.116274 1.167331 0.650545 0.067 Uiso 1 1 calc R U . . .
H6A2 H 0.100755 1.052310 0.614798 0.067 Uiso 1 1 calc R U . . .
C7A C 0.2301(7) 1.1568(5) 0.6004(4) 0.062(3) Uani 1 1 d D . . . .
H7A1 H 0.274028 1.106421 0.594512 0.075 Uiso 1 1 calc R U . . .
H7A2 H 0.188852 1.168005 0.555584 0.075 Uiso 1 1 calc R U . . .
O8A O 0.2987(4) 1.2534(3) 0.6341(3) 0.0462(16) Uani 1 1 d D . . . .
C9A C 0.3693(6) 1.2980(6) 0.5960(4) 0.050(2) Uani 1 1 d D . . . .
H9A1 H 0.327463 1.314761 0.552875 0.060 Uiso 1 1 calc R U . . .
H9A2 H 0.411425 1.247939 0.586414 0.060 Uiso 1 1 calc R U . . .
C10A C 0.4442(6) 1.3964(5) 0.6357(4) 0.047(2) Uani 1 1 d D . . . .
H10D H 0.488921 1.433121 0.608200 0.057 Uiso 1 1 calc R U . . .
H10E H 0.402121 1.443789 0.649071 0.057 Uiso 1 1 calc R U . . .
O11A O 0.5109(4) 1.3672(3) 0.6936(3) 0.0504(17) Uani 1 1 d D . . . .
C12A C 0.5902(6) 1.4545(5) 0.7318(4) 0.054(3) Uani 1 1 d D . . . .
H12A H 0.555406 1.511464 0.740424 0.065 Uiso 1 1 calc R U . . .
H12B H 0.642977 1.480535 0.706288 0.065 Uiso 1 1 calc R U . . .
C13A C 0.6463(6) 1.4232(5) 0.7964(4) 0.060(3) Uani 1 1 d D . . . .
H13A H 0.676902 1.362940 0.788009 0.072 Uiso 1 1 calc R U . . .
H13B H 0.706001 1.481708 0.820952 0.072 Uiso 1 1 calc R U . . .
O14A O 0.5714(4) 1.3960(3) 0.8349(3) 0.0526(17) Uani 1 1 d D . . . .
C15A C 0.6200(7) 1.3779(7) 0.8992(5) 0.081(4) Uani 1 1 d D . . . .
H15A H 0.675179 1.440556 0.922606 0.097 Uiso 1 1 calc R U . . .
H15B H 0.655283 1.318828 0.897751 0.097 Uiso 1 1 calc R U . . .
C16A C 0.5322(8) 1.3523(6) 0.9353(5) 0.082(4) Uani 1 1 d D . . . .
H16A H 0.564427 1.347731 0.983292 0.098 Uiso 1 1 calc R U . . .
H16B H 0.491654 1.407873 0.932090 0.098 Uiso 1 1 calc R U . . .
O17A O 0.4631(5) 1.2568(4) 0.9056(3) 0.0621(18) Uani 1 1 d D . . . .
C18A C 0.3777(7) 1.2310(7) 0.9351(5) 0.080(3) Uani 1 1 d D . . . .
H18A H 0.331534 1.281685 0.925910 0.096 Uiso 1 1 calc R U . . .
H18B H 0.405818 1.233656 0.984263 0.096 Uiso 1 1 calc R U . . .
K1B K 0.9224(4) 0.6230(4) 0.6077(3) 0.0469(12) Uani 0.569(4) 1 d . U P A 1
C1B C 0.8934(10) 0.4340(9) 0.7296(7) 0.058(3) Uani 0.569(4) 1 d D U P A 1
H1B1 H 0.940973 0.392614 0.716410 0.070 Uiso 0.569(4) 1 calc R U P A 1
H1B2 H 0.847426 0.390276 0.753700 0.070 Uiso 0.569(4) 1 calc R U P A 1
O2B O 0.8294(7) 0.4631(7) 0.6729(4) 0.051(2) Uani 0.569(4) 1 d D U P A 1
C3B C 0.7530(10) 0.3767(8) 0.6343(6) 0.051(3) Uani 0.569(4) 1 d D U P A 1
H3B1 H 0.700770 0.348058 0.659575 0.061 Uiso 0.569(4) 1 calc R U P A 1
H3B2 H 0.789525 0.321500 0.624884 0.061 Uiso 0.569(4) 1 calc R U P A 1
C4B C 0.6939(9) 0.4093(12) 0.5685(6) 0.048(3) Uani 0.569(4) 1 d D U P A 1
H4B1 H 0.639350 0.348717 0.541683 0.057 Uiso 0.569(4) 1 calc R U P A 1
H4B2 H 0.656709 0.464217 0.577516 0.057 Uiso 0.569(4) 1 calc R U P A 1
O5B O 0.7688(6) 0.4467(6) 0.5340(4) 0.0518(19) Uani 0.569(4) 1 d D U P A 1
C6B C 0.7204(10) 0.4616(13) 0.4672(6) 0.058(3) Uani 0.569(4) 1 d D U P A 1
H6B1 H 0.671542 0.509254 0.467077 0.069 Uiso 0.569(4) 1 calc R U P A 1
H6B2 H 0.677105 0.393853 0.442441 0.069 Uiso 0.569(4) 1 calc R U P A 1
C7B C 0.8039(11) 0.5062(9) 0.4333(7) 0.054(2) Uani 0.569(4) 1 d D U P A 1
H7B1 H 0.849425 0.456124 0.430704 0.065 Uiso 0.569(4) 1 calc R U P A 1
H7B2 H 0.768723 0.517479 0.387075 0.065 Uiso 0.569(4) 1 calc R U P A 1
O8B O 0.8698(7) 0.6028(6) 0.4682(4) 0.054(2) Uani 0.569(4) 1 d D U P A 1
C9B C 0.9514(10) 0.6475(10) 0.4364(7) 0.058(2) Uani 0.569(4) 1 d D U P A 1
H9B1 H 0.918419 0.655279 0.389057 0.070 Uiso 0.569(4) 1 calc R U P A 1
H9B2 H 1.002746 0.602176 0.437595 0.070 Uiso 0.569(4) 1 calc R U P A 1
C10B C 1.0084(14) 0.7529(10) 0.4746(6) 0.058(3) Uani 0.569(4) 1 d D U P A 1
H10F H 1.058312 0.791460 0.450759 0.070 Uiso 0.569(4) 1 calc R U P A 1
H10G H 0.955426 0.794417 0.478592 0.070 Uiso 0.569(4) 1 calc R U P A 1
O11B O 1.0667(7) 0.7368(6) 0.5394(4) 0.056(2) Uani 0.569(4) 1 d D U P A 1
C12B C 1.1277(12) 0.8310(9) 0.5802(6) 0.053(3) Uani 0.569(4) 1 d D U P A 1
H12C H 1.078639 0.875218 0.587534 0.063 Uiso 0.569(4) 1 calc R U P A 1
H12D H 1.178230 0.870334 0.556975 0.063 Uiso 0.569(4) 1 calc R U P A 1
C13B C 1.1889(9) 0.8071(11) 0.6456(6) 0.055(3) Uani 0.569(4) 1 d D U P A 1
H13C H 1.237742 0.762599 0.638321 0.065 Uiso 0.569(4) 1 calc R U P A 1
H13D H 1.233295 0.872707 0.672637 0.065 Uiso 0.569(4) 1 calc R U P A 1
O14B O 1.1170(7) 0.7547(8) 0.6807(5) 0.058(2) Uani 0.569(4) 1 d D U P A 1
C15B C 1.1720(9) 0.7248(11) 0.7399(7) 0.064(3) Uani 0.569(4) 1 d D U P A 1
H15C H 1.224915 0.786098 0.767133 0.077 Uiso 0.569(4) 1 calc R U P A 1
H15D H 1.211453 0.672431 0.730052 0.077 Uiso 0.569(4) 1 calc R U P A 1
C16B C 1.0922(11) 0.6786(9) 0.7786(6) 0.068(3) Uani 0.569(4) 1 d D U P A 1
H16C H 1.130480 0.665699 0.823835 0.082 Uiso 0.569(4) 1 calc R U P A 1
H16D H 1.045269 0.726515 0.783370 0.082 Uiso 0.569(4) 1 calc R U P A 1
O17B O 1.0311(8) 0.5841(7) 0.7407(4) 0.062(2) Uani 0.569(4) 1 d D U P A 1
C18B C 0.9614(10) 0.5323(9) 0.7754(6) 0.060(3) Uani 0.569(4) 1 d D U P A 1
H18C H 0.914827 0.577269 0.785597 0.072 Uiso 0.569(4) 1 calc R U P A 1
H18D H 1.002527 0.513175 0.817952 0.072 Uiso 0.569(4) 1 calc R U P A 1
K1C K 0.8961(5) 0.6378(4) 0.5757(3) 0.0352(13) Uani 0.431(4) 1 d . U P A 2
C1C C 0.8780(18) 0.4284(16) 0.6834(13) 0.055(3) Uani 0.431(4) 1 d . U P A 2
H1C1 H 0.836058 0.389355 0.711528 0.066 Uiso 0.431(4) 1 calc R U P A 2
H1C2 H 0.916833 0.381546 0.665761 0.066 Uiso 0.431(4) 1 calc R U P A 2
O2C O 0.8051(11) 0.4639(9) 0.6274(9) 0.049(2) Uani 0.431(4) 1 d . U P A 2
C3C C 0.7291(17) 0.3864(16) 0.5856(13) 0.051(3) Uani 0.431(4) 1 d . U P A 2
H3C1 H 0.682158 0.346440 0.610729 0.061 Uiso 0.431(4) 1 calc R U P A 2
H3C2 H 0.763835 0.337928 0.565655 0.061 Uiso 0.431(4) 1 calc R U P A 2
C4C C 0.6651(16) 0.4351(14) 0.5327(13) 0.051(3) Uani 0.431(4) 1 d . U P A 2
H4C1 H 0.631670 0.484279 0.553134 0.062 Uiso 0.431(4) 1 calc R U P A 2
H4C2 H 0.606860 0.380628 0.502663 0.062 Uiso 0.431(4) 1 calc R U P A 2
O5C O 0.7342(11) 0.4918(10) 0.4934(9) 0.050(2) Uani 0.431(4) 1 d . U P A 2
C6C C 0.7626(17) 0.4164(14) 0.4519(12) 0.056(3) Uani 0.431(4) 1 d . U P A 2
H6C1 H 0.697529 0.368163 0.422883 0.067 Uiso 0.431(4) 1 calc R U P A 2
H6C2 H 0.807910 0.375274 0.479730 0.067 Uiso 0.431(4) 1 calc R U P A 2
C7C C 0.8224(17) 0.4809(15) 0.4123(13) 0.056(3) Uani 0.431(4) 1 d . U P A 2
H7C1 H 0.842298 0.434374 0.380905 0.067 Uiso 0.431(4) 1 calc R U P A 2
H7C2 H 0.774129 0.520073 0.385038 0.067 Uiso 0.431(4) 1 calc R U P A 2
O8C O 0.9179(10) 0.5538(9) 0.4497(7) 0.048(2) Uani 0.431(4) 1 d . U P A 2
C9C C 0.9701(17) 0.6247(15) 0.4122(12) 0.056(3) Uani 0.431(4) 1 d . U P A 2
H9C1 H 0.917000 0.656517 0.382565 0.068 Uiso 0.431(4) 1 calc R U P A 2
H9C2 H 1.004060 0.587366 0.383878 0.068 Uiso 0.431(4) 1 calc R U P A 2
C10C C 1.0536(16) 0.7074(14) 0.4598(12) 0.053(3) Uani 0.431(4) 1 d . U P A 2
H10H H 1.107620 0.674704 0.487825 0.064 Uiso 0.431(4) 1 calc R U P A 2
H10I H 1.091045 0.756697 0.434017 0.064 Uiso 0.431(4) 1 calc R U P A 2
O11C O 1.0108(14) 0.7629(11) 0.5015(9) 0.054(2) Uani 0.431(4) 1 d . U P A 2
C12C C 1.0864(17) 0.8424(15) 0.5417(13) 0.060(3) Uani 0.431(4) 1 d . U P A 2
H12E H 1.048455 0.893545 0.555486 0.072 Uiso 0.431(4) 1 calc R U P A 2
H12F H 1.131924 0.877661 0.514149 0.072 Uiso 0.431(4) 1 calc R U P A 2
C13C C 1.1595(18) 0.8194(17) 0.6033(14) 0.057(3) Uani 0.431(4) 1 d . U P A 2
H13E H 1.210188 0.780894 0.591195 0.068 Uiso 0.431(4) 1 calc R U P A 2
H13F H 1.201865 0.885324 0.630733 0.068 Uiso 0.431(4) 1 calc R U P A 2
O14C O 1.0985(12) 0.7596(11) 0.6397(10) 0.063(3) Uani 0.431(4) 1 d . U P A 2
C15C C 1.1639(18) 0.7298(18) 0.6897(14) 0.065(3) Uani 0.431(4) 1 d . U P A 2
H15E H 1.213059 0.791404 0.718858 0.077 Uiso 0.431(4) 1 calc R U P A 2
H15F H 1.207803 0.687905 0.672671 0.077 Uiso 0.431(4) 1 calc R U P A 2
C16C C 1.0997(18) 0.6683(16) 0.7268(13) 0.068(3) Uani 0.431(4) 1 d . U P A 2
H16E H 1.150421 0.647142 0.764544 0.082 Uiso 0.431(4) 1 calc R U P A 2
H16F H 1.064096 0.716016 0.746700 0.082 Uiso 0.431(4) 1 calc R U P A 2
O17C O 1.0185(13) 0.5769(11) 0.6975(9) 0.065(3) Uani 0.431(4) 1 d . U P A 2
C18C C 0.9511(18) 0.5158(15) 0.7213(13) 0.061(3) Uani 0.431(4) 1 d . U P A 2
H18E H 0.908284 0.559423 0.737904 0.073 Uiso 0.431(4) 1 calc R U P A 2
H18F H 0.993429 0.490615 0.761044 0.073 Uiso 0.431(4) 1 calc R U P A 2
C1D C 0.0642(8) 0.2826(8) 0.8635(7) 0.113(5) Uani 1 1 d D U . . .
H1D1 H -0.005609 0.280863 0.832320 0.169 Uiso 1 1 calc R U . . .
H1D2 H 0.061936 0.302784 0.909198 0.169 Uiso 1 1 calc R U . . .
H1D3 H 0.079789 0.213275 0.861031 0.169 Uiso 1 1 calc R U . . .
C2D C 0.1460(8) 0.3565(7) 0.8460(6) 0.077(3) Uani 1 1 d D U . . .
C3D C 0.1694(8) 0.3416(6) 0.7861(6) 0.076(3) Uani 1 1 d D U . . .
H3D H 0.129248 0.281704 0.756145 0.092 Uiso 1 1 calc R U . . .
C4D C 0.2513(9) 0.4123(8) 0.7670(6) 0.096(4) Uani 1 1 d D U . . .
H4D H 0.263651 0.399428 0.724449 0.115 Uiso 1 1 calc R U . . .
C5D C 0.3074(10) 0.4911(9) 0.8053(7) 0.111(4) Uani 1 1 d D U . . .
H5D H 0.366543 0.534506 0.794198 0.133 Uiso 1 1 calc R U . . .
C6D C 0.2804(9) 0.5146(8) 0.8667(6) 0.104(4) Uani 1 1 d D U . . .
H6D H 0.317240 0.578775 0.893139 0.125 Uiso 1 1 calc R U . . .
C7D C 0.2046(9) 0.4492(7) 0.8883(6) 0.093(4) Uani 1 1 d D U . . .
H7D H 0.191173 0.464853 0.930268 0.112 Uiso 1 1 calc R U . . .
C1E C 0.912(3) 0.3443(18) 1.0004(17) 0.133(10) Uani 0.5 1 d D U P B -1
H1E1 H 0.853715 0.347672 1.021755 0.199 Uiso 0.5 1 calc R U P B -1
H1E2 H 0.964086 0.311464 1.028771 0.199 Uiso 0.5 1 calc R U P B -1
H1E3 H 0.881600 0.303023 0.956624 0.199 Uiso 0.5 1 calc R U P B -1
C2E C 0.964(2) 0.4476(18) 0.9919(14) 0.128(9) Uani 0.5 1 d D U P B -1
C3E C 0.940(3) 0.484(2) 0.9307(13) 0.146(11) Uani 0.5 1 d D U P B -1
H3E H 0.893294 0.436801 0.893913 0.175 Uiso 0.5 1 calc R U P B -1
C4E C 0.981(2) 0.588(2) 0.9190(13) 0.169(11) Uani 0.5 1 d D U P B -1
H4E H 0.949511 0.615227 0.879436 0.203 Uiso 0.5 1 calc R U P B -1
C5E C 1.061(3) 0.643(2) 0.9621(16) 0.162(13) Uani 0.5 1 d D U P B -1
H5E H 1.097690 0.708729 0.952550 0.194 Uiso 0.5 1 calc R U P B -1
C6E C 1.096(3) 0.606(2) 1.0257(15) 0.148(11) Uani 0.5 1 d D U P B -1
H6E H 1.150440 0.651880 1.059531 0.178 Uiso 0.5 1 calc R U P B -1
C7E C 1.055(3) 0.509(2) 1.0406(13) 0.112(8) Uani 0.5 1 d D U P B -1
H7E H 1.085188 0.483457 1.081329 0.134 Uiso 0.5 1 calc R U P B -1
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'
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'
Cu Cu 0.3201 1.2651 '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'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
Ru1 Cu1 Pb2 116.69(4) . . ?
Ru1 Cu1 Pb8 60.67(2) . . ?
Pb2 Cu1 Pb8 177.36(4) . . ?
Ru1 Cu1 Pb9 61.08(2) . . ?
Pb2 Cu1 Pb9 117.72(3) . . ?
Pb8 Cu1 Pb9 61.490(18) . . ?
Ru1 Cu1 Pb3 115.78(4) . . ?
Pb2 Cu1 Pb3 63.569(19) . . ?
Pb8 Cu1 Pb3 117.08(3) . . ?
Pb9 Cu1 Pb3 176.84(4) . . ?
Ru1 Cu1 Pb10 60.44(2) . . ?
Pb2 Cu1 Pb10 66.12(2) . . ?
Pb8 Cu1 Pb10 111.75(3) . . ?
Pb9 Cu1 Pb10 61.883(18) . . ?
Pb3 Cu1 Pb10 117.33(3) . . ?
Ru1 Cu1 Pb6 116.48(3) . . ?
Pb2 Cu1 Pb6 63.85(2) . . ?
Pb8 Cu1 Pb6 117.03(3) . . ?
Pb9 Cu1 Pb6 65.264(19) . . ?
Pb3 Cu1 Pb6 117.49(3) . . ?
Pb10 Cu1 Pb6 65.914(19) . . ?
Ru1 Cu1 Pb7 60.36(2) . . ?
Pb2 Cu1 Pb7 117.29(3) . . ?
Pb8 Cu1 Pb7 61.68(2) . . ?
Pb9 Cu1 Pb7 112.01(3) . . ?
Pb3 Cu1 Pb7 65.193(19) . . ?
Pb10 Cu1 Pb7 111.56(4) . . ?
Pb6 Cu1 Pb7 176.83(4) . . ?
Ru1 Cu1 Pb11 59.81(3) . . ?
Pb2 Cu1 Pb11 66.26(2) . . ?
Pb8 Cu1 Pb11 111.47(4) . . ?
Pb9 Cu1 Pb11 111.65(3) . . ?
Pb3 Cu1 Pb11 65.93(2) . . ?
Pb10 Cu1 Pb11 61.13(2) . . ?
Pb6 Cu1 Pb11 117.63(3) . . ?
Pb7 Cu1 Pb11 61.41(2) . . ?
Ru1 Cu1 Pb4 116.60(3) . . ?
Pb2 Cu1 Pb4 116.46(3) . . ?
Pb8 Cu1 Pb4 65.631(19) . . ?
Pb9 Cu1 Pb4 116.85(3) . . ?
Pb3 Cu1 Pb4 63.776(18) . . ?
Pb10 Cu1 Pb4 177.02(4) . . ?
Pb6 Cu1 Pb4 116.33(4) . . ?
Pb7 Cu1 Pb4 66.12(2) . . ?
Pb11 Cu1 Pb4 118.07(3) . . ?
Ru1 Cu1 Pb5 117.35(3) . . ?
Pb2 Cu1 Pb5 116.17(4) . . ?
Pb8 Cu1 Pb5 66.06(2) . . ?
Pb9 Cu1 Pb5 66.09(2) . . ?
Pb3 Cu1 Pb5 116.26(3) . . ?
Pb10 Cu1 Pb5 118.06(3) . . ?
Pb6 Cu1 Pb5 63.36(2) . . ?
Pb7 Cu1 Pb5 117.45(3) . . ?
Pb11 Cu1 Pb5 177.15(4) . . ?
Pb4 Cu1 Pb5 62.59(2) . . ?
Ru1 Cu1 Pb1 178.99(4) . . ?
Pb2 Cu1 Pb1 64.23(2) . . ?
Pb8 Cu1 Pb1 118.41(3) . . ?
Pb9 Cu1 Pb1 119.02(3) . . ?
Pb3 Cu1 Pb1 64.11(2) . . ?
Pb10 Cu1 Pb1 120.55(3) . . ?
Pb6 Cu1 Pb1 64.20(2) . . ?
Pb7 Cu1 Pb1 118.96(3) . . ?
Pb11 Cu1 Pb1 120.69(3) . . ?
Pb4 Cu1 Pb1 62.42(2) . . ?
Pb5 Cu1 Pb1 62.15(2) . . ?
Cu1 Pb1 Pb5 58.569(19) . . ?
Cu1 Pb1 Pb4 58.201(18) . . ?
Pb5 Pb1 Pb4 59.963(10) . . ?
Cu1 Pb1 Pb2 56.186(18) . . ?
Pb5 Pb1 Pb2 106.459(13) . . ?
Pb4 Pb1 Pb2 106.203(15) . . ?
Cu1 Pb1 Pb3 56.661(18) . . ?
Pb5 Pb1 Pb3 107.024(14) . . ?
Pb4 Pb1 Pb3 59.799(11) . . ?
Pb2 Pb1 Pb3 58.362(11) . . ?
Cu1 Pb1 Pb6 56.909(17) . . ?
Pb5 Pb1 Pb6 59.681(9) . . ?
Pb4 Pb1 Pb6 106.729(13) . . ?
Pb2 Pb1 Pb6 58.686(10) . . ?
Pb3 Pb1 Pb6 105.251(14) . . ?
Cu1 Pb2 Pb3 58.639(16) . . ?
Cu1 Pb2 Pb6 58.788(19) . . ?
Pb3 Pb2 Pb6 109.141(12) . . ?
Cu1 Pb2 Pb1 59.59(2) . . ?
Pb3 Pb2 Pb1 60.954(11) . . ?
Pb6 Pb2 Pb1 61.011(10) . . ?
Cu1 Pb2 Pb10 57.556(19) . . ?
Pb3 Pb2 Pb10 106.470(12) . . ?
Pb6 Pb2 Pb10 61.317(10) . . ?
Pb1 Pb2 Pb10 109.466(12) . . ?
Cu1 Pb2 Pb11 57.67(2) . . ?
Pb3 Pb2 Pb11 61.344(10) . . ?
Pb6 Pb2 Pb11 106.663(12) . . ?
Pb1 Pb2 Pb11 109.584(12) . . ?
Pb10 Pb2 Pb11 55.985(10) . . ?
Cu1 Pb2 K1C 132.47(9) . . ?
Pb3 Pb2 K1C 164.40(10) . . ?
Pb6 Pb2 K1C 76.24(9) . . ?
Pb1 Pb2 K1C 112.56(10) . . ?
Pb10 Pb2 K1C 89.01(10) . . ?
Pb11 Pb2 K1C 132.26(10) . . ?
Cu1 Pb2 K1B 131.66(7) . . ?
Pb3 Pb2 K1B 169.66(7) . . ?
Pb6 Pb2 K1B 80.19(7) . . ?
Pb1 Pb2 K1B 122.95(8) . . ?
Pb10 Pb2 K1B 81.72(8) . . ?
Pb11 Pb2 K1B 121.24(9) . . ?
Cu1 Pb3 Pb2 57.792(18) . . ?
Cu1 Pb3 Pb4 58.831(19) . . ?
Pb2 Pb3 Pb4 107.637(11) . . ?
Cu1 Pb3 Pb1 59.23(2) . . ?
Pb2 Pb3 Pb1 60.684(11) . . ?
Pb4 Pb3 Pb1 59.281(10) . . ?
Cu1 Pb3 Pb7 57.72(2) . . ?
Pb2 Pb3 Pb7 106.454(11) . . ?
Pb4 Pb3 Pb7 61.884(11) . . ?
Pb1 Pb3 Pb7 108.699(12) . . ?
Cu1 Pb3 Pb11 57.43(2) . . ?
Pb2 Pb3 Pb11 61.332(11) . . ?
Pb4 Pb3 Pb11 107.115(11) . . ?
Pb1 Pb3 Pb11 109.365(11) . . ?
Pb7 Pb3 Pb11 56.516(10) . . ?
Cu1 Pb4 Pb5 58.938(19) . . ?
Cu1 Pb4 Pb1 59.38(2) . . ?
Pb5 Pb4 Pb1 59.947(10) . . ?
Cu1 Pb4 Pb3 57.394(17) . . ?
Pb5 Pb4 Pb3 107.889(11) . . ?
Pb1 Pb4 Pb3 60.920(10) . . ?
Cu1 Pb4 Pb8 56.291(19) . . ?
Pb5 Pb4 Pb8 61.544(11) . . ?
Pb1 Pb4 Pb8 107.978(11) . . ?
Pb3 Pb4 Pb8 104.342(13) . . ?
Cu1 Pb4 Pb7 56.57(2) . . ?
Pb5 Pb4 Pb7 106.597(12) . . ?
Pb1 Pb4 Pb7 108.333(13) . . ?
Pb3 Pb4 Pb7 59.789(11) . . ?
Pb8 Pb4 Pb7 55.810(10) . . ?
Cu1 Pb5 Pb1 59.28(2) . . ?
Cu1 Pb5 Pb4 58.470(17) . . ?
Pb1 Pb5 Pb4 60.091(9) . . ?
Cu1 Pb5 Pb6 57.662(18) . . ?
Pb1 Pb5 Pb6 61.269(10) . . ?
Pb4 Pb5 Pb6 108.065(12) . . ?
Cu1 Pb5 Pb8 55.86(2) . . ?
Pb1 Pb5 Pb8 107.411(12) . . ?
Pb4 Pb5 Pb8 60.670(10) . . ?
Pb6 Pb5 Pb8 104.161(13) . . ?
Cu1 Pb5 Pb9 56.036(18) . . ?
Pb1 Pb5 Pb9 108.040(12) . . ?
Pb4 Pb5 Pb9 105.294(14) . . ?
Pb6 Pb5 Pb9 59.881(10) . . ?
Pb8 Pb5 Pb9 55.212(10) . . ?
Cu1 Pb6 Pb2 57.359(18) . . ?
Cu1 Pb6 Pb5 58.98(2) . . ?
Pb2 Pb6 Pb5 107.244(12) . . ?
Cu1 Pb6 Pb1 58.89(2) . . ?
Pb2 Pb6 Pb1 60.302(10) . . ?
Pb5 Pb6 Pb1 59.050(10) . . ?
Cu1 Pb6 Pb9 57.067(18) . . ?
Pb2 Pb6 Pb9 105.652(13) . . ?
Pb5 Pb6 Pb9 61.765(10) . . ?
Pb1 Pb6 Pb9 107.787(11) . . ?
Cu1 Pb6 Pb10 56.97(2) . . ?
Pb2 Pb6 Pb10 60.800(11) . . ?
Pb5 Pb6 Pb10 107.121(13) . . ?
Pb1 Pb6 Pb10 108.508(12) . . ?
Pb9 Pb6 Pb10 56.540(11) . . ?
Cu1 Pb6 K1C 112.31(9) . . ?
Pb2 Pb6 K1C 56.65(8) . . ?
Pb5 Pb6 K1C 157.88(8) . . ?
Pb1 Pb6 K1C 98.84(8) . . ?
Pb9 Pb6 K1C 133.51(9) . . ?
Pb10 Pb6 K1C 79.32(9) . . ?
Ru1 Pb7 Cu1 56.99(2) . . ?
Ru1 Pb7 Pb8 58.495(14) . . ?
Cu1 Pb7 Pb8 58.600(18) . . ?
Ru1 Pb7 Pb11 58.047(13) . . ?
Cu1 Pb7 Pb11 59.39(2) . . ?
Pb8 Pb7 Pb11 107.348(11) . . ?
Ru1 Pb7 Pb3 106.096(16) . . ?
Cu1 Pb7 Pb3 57.084(18) . . ?
Pb8 Pb7 Pb3 107.670(14) . . ?
Pb11 Pb7 Pb3 62.327(11) . . ?
Ru1 Pb7 Pb4 106.328(17) . . ?
Cu1 Pb7 Pb4 57.31(2) . . ?
Pb8 Pb7 Pb4 61.428(11) . . ?
Pb11 Pb7 Pb4 108.909(13) . . ?
Pb3 Pb7 Pb4 58.328(11) . . ?
Ru1 Pb8 Cu1 57.42(3) . . ?
Ru1 Pb8 Pb9 59.320(14) . . ?
Cu1 Pb8 Pb9 59.455(16) . . ?
Ru1 Pb8 Pb7 58.656(13) . . ?
Cu1 Pb8 Pb7 59.718(19) . . ?
Pb9 Pb8 Pb7 108.763(12) . . ?
Ru1 Pb8 Pb4 107.488(16) . . ?
Cu1 Pb8 Pb4 58.078(19) . . ?
Pb9 Pb8 Pb4 108.877(13) . . ?
Pb7 Pb8 Pb4 62.762(11) . . ?
Ru1 Pb8 Pb5 107.816(17) . . ?
Cu1 Pb8 Pb5 58.07(2) . . ?
Pb9 Pb8 Pb5 62.519(10) . . ?
Pb7 Pb8 Pb5 109.175(12) . . ?
Pb4 Pb8 Pb5 57.787(11) . . ?
Ru1 Pb8 K1 129.40(3) . . ?
Cu1 Pb8 K1 130.30(3) . . ?
Pb9 Pb8 K1 168.52(3) . . ?
Pb7 Pb8 K1 82.67(3) . . ?
Pb4 Pb8 K1 76.86(3) . . ?
Pb5 Pb8 K1 115.48(3) . . ?
Ru1 Pb9 Cu1 57.03(3) . . ?
Ru1 Pb9 Pb8 58.524(14) . . ?
Cu1 Pb9 Pb8 59.055(18) . . ?
Ru1 Pb9 Pb10 58.271(14) . . ?
Cu1 Pb9 Pb10 59.304(19) . . ?
Pb8 Pb9 Pb10 107.706(11) . . ?
Ru1 Pb9 Pb6 106.676(16) . . ?
Cu1 Pb9 Pb6 57.67(2) . . ?
Pb8 Pb9 Pb6 108.606(11) . . ?
Pb10 Pb9 Pb6 62.334(11) . . ?
Ru1 Pb9 Pb5 107.021(15) . . ?
Cu1 Pb9 Pb5 57.88(2) . . ?
Pb8 Pb9 Pb5 62.269(11) . . ?
Pb10 Pb9 Pb5 109.023(12) . . ?
Pb6 Pb9 Pb5 58.354(11) . . ?
Ru1 Pb10 Cu1 57.07(2) . . ?
Ru1 Pb10 Pb11 58.237(13) . . ?
Cu1 Pb10 Pb11 59.64(2) . . ?
Ru1 Pb10 Pb9 58.906(14) . . ?
Cu1 Pb10 Pb9 58.813(17) . . ?
Pb11 Pb10 Pb9 107.966(11) . . ?
Ru1 Pb10 Pb2 105.578(15) . . ?
Cu1 Pb10 Pb2 56.329(19) . . ?
Pb11 Pb10 Pb2 62.228(11) . . ?
Pb9 Pb10 Pb2 106.977(13) . . ?
Ru1 Pb10 Pb6 106.220(18) . . ?
Cu1 Pb10 Pb6 57.11(2) . . ?
Pb11 Pb10 Pb6 108.935(12) . . ?
Pb9 Pb10 Pb6 61.125(10) . . ?
Pb2 Pb10 Pb6 57.884(11) . . ?
Ru1 Pb11 Cu1 57.14(2) . . ?
Ru1 Pb11 Pb10 58.902(13) . . ?
Cu1 Pb11 Pb10 59.229(17) . . ?
Ru1 Pb11 Pb7 58.718(14) . . ?
Cu1 Pb11 Pb7 59.202(18) . . ?
Pb10 Pb11 Pb7 108.215(12) . . ?
Ru1 Pb11 Pb2 105.735(17) . . ?
Cu1 Pb11 Pb2 56.07(2) . . ?
Pb10 Pb11 Pb2 61.786(11) . . ?
Pb7 Pb11 Pb2 106.953(14) . . ?
Ru1 Pb11 Pb3 105.698(17) . . ?
Cu1 Pb11 Pb3 56.635(18) . . ?
Pb10 Pb11 Pb3 107.904(14) . . ?
Pb7 Pb11 Pb3 61.157(11) . . ?
Pb2 Pb11 Pb3 57.324(11) . . ?
C4 Ru1 C5 38.0(2) . . ?
C4 Ru1 C2 63.8(3) . . ?
C5 Ru1 C2 64.7(3) . . ?
C4 Ru1 C1 64.2(3) . . ?
C5 Ru1 C1 39.8(3) . . ?
C2 Ru1 C1 37.4(3) . . ?
C4 Ru1 C3 38.8(2) . . ?
C5 Ru1 C3 64.9(3) . . ?
C2 Ru1 C3 37.8(3) . . ?
C1 Ru1 C3 63.7(3) . . ?
C4 Ru1 Cu1 145.9(2) . . ?
C5 Ru1 Cu1 145.0(2) . . ?
C2 Ru1 Cu1 146.8(2) . . ?
C1 Ru1 Cu1 146.2(2) . . ?
C3 Ru1 Cu1 146.16(19) . . ?
C4 Ru1 Pb11 151.0(2) . . ?
C5 Ru1 Pb11 124.3(2) . . ?
C2 Ru1 Pb11 88.2(2) . . ?
C1 Ru1 Pb11 89.2(2) . . ?
C3 Ru1 Pb11 120.17(18) . . ?
Cu1 Ru1 Pb11 63.05(2) . . ?
C4 Ru1 Pb8 88.7(2) . . ?
C5 Ru1 Pb8 120.3(2) . . ?
C2 Ru1 Pb8 124.8(2) . . ?
C1 Ru1 Pb8 151.8(2) . . ?
C3 Ru1 Pb8 90.7(2) . . ?
Cu1 Ru1 Pb8 61.91(2) . . ?
Pb11 Ru1 Pb8 115.19(2) . . ?
C4 Ru1 Pb10 123.77(18) . . ?
C5 Ru1 Pb10 89.43(19) . . ?
C2 Ru1 Pb10 120.6(2) . . ?
C1 Ru1 Pb10 88.5(2) . . ?
C3 Ru1 Pb10 151.24(19) . . ?
Cu1 Ru1 Pb10 62.49(2) . . ?
Pb11 Ru1 Pb10 62.860(15) . . ?
Pb8 Ru1 Pb10 114.47(3) . . ?
C4 Ru1 Pb7 120.95(18) . . ?
C5 Ru1 Pb7 152.2(2) . . ?
C2 Ru1 Pb7 90.45(19) . . ?
C1 Ru1 Pb7 123.6(2) . . ?
C3 Ru1 Pb7 87.96(16) . . ?
Cu1 Ru1 Pb7 62.65(2) . . ?
Pb11 Ru1 Pb7 63.235(13) . . ?
Pb8 Ru1 Pb7 62.849(15) . . ?
Pb10 Ru1 Pb7 115.16(2) . . ?
C4 Ru1 Pb9 90.1(2) . . ?
C5 Ru1 Pb9 87.5(2) . . ?
C2 Ru1 Pb9 151.3(2) . . ?
C1 Ru1 Pb9 121.7(2) . . ?
C3 Ru1 Pb9 124.72(18) . . ?
Cu1 Ru1 Pb9 61.89(2) . . ?
Pb11 Ru1 Pb9 115.00(2) . . ?
Pb8 Ru1 Pb9 62.156(16) . . ?
Pb10 Ru1 Pb9 62.823(16) . . ?
Pb7 Ru1 Pb9 114.56(2) . . ?
C2 C1 C6 127.2(8) . . ?
C2 C1 C5 107.1(7) . . ?
C6 C1 C5 125.0(7) . . ?
C2 C1 Ru1 70.3(5) . . ?
C6 C1 Ru1 133.2(8) . . ?
C5 C1 Ru1 69.0(4) . . ?
C1 C2 C3 110.9(7) . . ?
C1 C2 C7 125.0(8) . . ?
C3 C2 C7 123.1(7) . . ?
C1 C2 Ru1 72.3(5) . . ?
C3 C2 Ru1 72.4(5) . . ?
C7 C2 Ru1 131.1(6) . . ?
C2 C3 C8 127.0(7) . . ?
C2 C3 C4 105.8(6) . . ?
C8 C3 C4 126.8(7) . . ?
C2 C3 Ru1 69.8(4) . . ?
C8 C3 Ru1 131.7(6) . . ?
C4 C3 Ru1 69.0(4) . . ?
C5 C4 C3 110.0(6) . . ?
C5 C4 C9 125.6(6) . . ?
C3 C4 C9 123.7(7) . . ?
C5 C4 Ru1 71.2(4) . . ?
C3 C4 Ru1 72.2(4) . . ?
C9 C4 Ru1 130.7(6) . . ?
C4 C5 C10 128.7(7) . . ?
C4 C5 C1 106.2(6) . . ?
C10 C5 C1 123.5(7) . . ?
C4 C5 Ru1 70.8(4) . . ?
C10 C5 Ru1 134.0(6) . . ?
C1 C5 Ru1 71.2(4) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O5A K1 O17A 118.08(16) . . ?
O5A K1 O11A 120.07(17) . . ?
O17A K1 O11A 119.29(16) . . ?
O5A K1 O14A 165.92(16) . . ?
O17A K1 O14A 59.23(16) . . ?
O11A K1 O14A 60.10(15) . . ?
O5A K1 O8A 61.01(14) . . ?
O17A K1 O8A 154.71(16) . . ?
O11A K1 O8A 59.92(15) . . ?
O14A K1 O8A 114.75(15) . . ?
O5A K1 O2A 58.74(16) . . ?
O17A K1 O2A 59.35(17) . . ?
O11A K1 O2A 162.89(16) . . ?
O14A K1 O2A 116.38(18) . . ?
O8A K1 O2A 113.15(16) . . ?
O5A K1 Pb8 77.42(11) . . ?
O17A K1 Pb8 99.86(12) . . ?
O11A K1 Pb8 108.01(11) . . ?
O14A K1 Pb8 116.42(12) . . ?
O8A K1 Pb8 104.20(11) . . ?
O2A K1 Pb8 88.67(11) . . ?
O2A C1A C18A 108.0(7) . . ?
O2A C1A H1A1 110.1 . . ?
C18A C1A H1A1 110.1 . . ?
O2A C1A H1A2 110.1 . . ?
C18A C1A H1A2 110.1 . . ?
H1A1 C1A H1A2 108.4 . . ?
C1A O2A C3A 113.0(6) . . ?
C1A O2A K1 115.7(4) . . ?
C3A O2A K1 110.0(4) . . ?
O2A C3A C4A 108.9(6) . . ?
O2A C3A H3A1 109.9 . . ?
C4A C3A H3A1 109.9 . . ?
O2A C3A H3A2 109.9 . . ?
C4A C3A H3A2 109.9 . . ?
H3A1 C3A H3A2 108.3 . . ?
O5A C4A C3A 109.3(6) . . ?
O5A C4A H4A1 109.8 . . ?
C3A C4A H4A1 109.8 . . ?
O5A C4A H4A2 109.8 . . ?
C3A C4A H4A2 109.8 . . ?
H4A1 C4A H4A2 108.3 . . ?
C4A O5A C6A 110.9(6) . . ?
C4A O5A K1 121.5(5) . . ?
C6A O5A K1 116.1(4) . . ?
O5A C6A C7A 109.5(6) . . ?
O5A C6A H6A1 109.8 . . ?
C7A C6A H6A1 109.8 . . ?
O5A C6A H6A2 109.8 . . ?
C7A C6A H6A2 109.8 . . ?
H6A1 C6A H6A2 108.2 . . ?
O8A C7A C6A 109.4(6) . . ?
O8A C7A H7A1 109.8 . . ?
C6A C7A H7A1 109.8 . . ?
O8A C7A H7A2 109.8 . . ?
C6A C7A H7A2 109.8 . . ?
H7A1 C7A H7A2 108.2 . . ?
C9A O8A C7A 110.9(5) . . ?
C9A O8A K1 113.3(4) . . ?
C7A O8A K1 109.7(4) . . ?
O8A C9A C10A 108.6(6) . . ?
O8A C9A H9A1 110.0 . . ?
C10A C9A H9A1 110.0 . . ?
O8A C9A H9A2 110.0 . . ?
C10A C9A H9A2 110.0 . . ?
H9A1 C9A H9A2 108.3 . . ?
O11A C10A C9A 107.9(5) . . ?
O11A C10A H10D 110.1 . . ?
C9A C10A H10D 110.1 . . ?
O11A C10A H10E 110.1 . . ?
C9A C10A H10E 110.1 . . ?
H10D C10A H10E 108.4 . . ?
C10A O11A C12A 112.0(5) . . ?
C10A O11A K1 116.4(4) . . ?
C12A O11A K1 116.9(4) . . ?
O11A C12A C13A 109.9(5) . . ?
O11A C12A H12A 109.7 . . ?
C13A C12A H12A 109.7 . . ?
O11A C12A H12B 109.7 . . ?
C13A C12A H12B 109.7 . . ?
H12A C12A H12B 108.2 . . ?
O14A C13A C12A 108.8(6) . . ?
O14A C13A H13A 109.9 . . ?
C12A C13A H13A 109.9 . . ?
O14A C13A H13B 109.9 . . ?
C12A C13A H13B 109.9 . . ?
H13A C13A H13B 108.3 . . ?
C15A O14A C13A 112.4(6) . . ?
C15A O14A K1 112.3(4) . . ?
C13A O14A K1 109.0(4) . . ?
O14A C15A C16A 107.1(7) . . ?
O14A C15A H15A 110.3 . . ?
C16A C15A H15A 110.3 . . ?
O14A C15A H15B 110.3 . . ?
C16A C15A H15B 110.3 . . ?
H15A C15A H15B 108.5 . . ?
O17A C16A C15A 108.5(7) . . ?
O17A C16A H16A 110.0 . . ?
C15A C16A H16A 110.0 . . ?
O17A C16A H16B 110.0 . . ?
C15A C16A H16B 110.0 . . ?
H16A C16A H16B 108.4 . . ?
C18A O17A C16A 111.2(6) . . ?
C18A O17A K1 115.5(5) . . ?
C16A O17A K1 116.9(5) . . ?
O17A C18A C1A 108.9(7) . . ?
O17A C18A H18A 109.9 . . ?
C1A C18A H18A 109.9 . . ?
O17A C18A H18B 109.9 . . ?
C1A C18A H18B 109.9 . . ?
H18A C18A H18B 108.3 . . ?
O8B K1B O2B 119.3(3) . . ?
O8B K1B O14B 119.7(3) . . ?
O2B K1B O14B 116.8(3) . . ?
O8B K1B O5B 60.1(2) . . ?
O2B K1B O5B 59.3(2) . . ?
O14B K1B O5B 162.0(4) . . ?
O8B K1B O11B 59.8(2) . . ?
O2B K1B O11B 159.4(3) . . ?
O14B K1B O11B 59.8(2) . . ?
O5B K1B O11B 116.7(3) . . ?
O8B K1B O17B 155.6(4) . . ?
O2B K1B O17B 58.5(3) . . ?
O14B K1B O17B 58.6(2) . . ?
O5B K1B O17B 113.3(3) . . ?
O11B K1B O17B 112.8(3) . . ?
O8B K1B Pb2 101.2(2) . . ?
O2B K1B Pb2 112.7(3) . . ?
O14B K1B Pb2 75.5(3) . . ?
O5B K1B Pb2 122.5(2) . . ?
O11B K1B Pb2 86.8(2) . . ?
O17B K1B Pb2 101.5(3) . . ?
O2B C1B C18B 109.2(8) . . ?
O2B C1B H1B1 109.8 . . ?
C18B C1B H1B1 109.8 . . ?
O2B C1B H1B2 109.8 . . ?
C18B C1B H1B2 109.8 . . ?
H1B1 C1B H1B2 108.3 . . ?
C1B O2B C3B 111.7(8) . . ?
C1B O2B K1B 118.7(7) . . ?
C3B O2B K1B 118.9(6) . . ?
O2B C3B C4B 110.1(8) . . ?
O2B C3B H3B1 109.6 . . ?
C4B C3B H3B1 109.6 . . ?
O2B C3B H3B2 109.6 . . ?
C4B C3B H3B2 109.6 . . ?
H3B1 C3B H3B2 108.1 . . ?
O5B C4B C3B 108.0(9) . . ?
O5B C4B H4B1 110.1 . . ?
C3B C4B H4B1 110.1 . . ?
O5B C4B H4B2 110.1 . . ?
C3B C4B H4B2 110.1 . . ?
H4B1 C4B H4B2 108.4 . . ?
C4B O5B C6B 112.5(8) . . ?
C4B O5B K1B 110.8(7) . . ?
C6B O5B K1B 114.3(7) . . ?
O5B C6B C7B 110.4(9) . . ?
O5B C6B H6B1 109.6 . . ?
C7B C6B H6B1 109.6 . . ?
O5B C6B H6B2 109.6 . . ?
C7B C6B H6B2 109.6 . . ?
H6B1 C6B H6B2 108.1 . . ?
O8B C7B C6B 111.5(9) . . ?
O8B C7B H7B1 109.3 . . ?
C6B C7B H7B1 109.3 . . ?
O8B C7B H7B2 109.3 . . ?
C6B C7B H7B2 109.3 . . ?
H7B1 C7B H7B2 108.0 . . ?
C7B O8B C9B 112.4(8) . . ?
C7B O8B K1B 118.0(6) . . ?
C9B O8B K1B 118.1(7) . . ?
O8B C9B C10B 106.9(9) . . ?
O8B C9B H9B1 110.3 . . ?
C10B C9B H9B1 110.3 . . ?
O8B C9B H9B2 110.3 . . ?
C10B C9B H9B2 110.3 . . ?
H9B1 C9B H9B2 108.6 . . ?
O11B C10B C9B 108.2(9) . . ?
O11B C10B H10F 110.1 . . ?
C9B C10B H10F 110.1 . . ?
O11B C10B H10G 110.1 . . ?
C9B C10B H10G 110.1 . . ?
H10F C10B H10G 108.4 . . ?
C10B O11B C12B 113.8(8) . . ?
C10B O11B K1B 110.0(8) . . ?
C12B O11B K1B 109.3(8) . . ?
O11B C12B C13B 110.4(9) . . ?
O11B C12B H12C 109.6 . . ?
C13B C12B H12C 109.6 . . ?
O11B C12B H12D 109.6 . . ?
C13B C12B H12D 109.6 . . ?
H12C C12B H12D 108.1 . . ?
O14B C13B C12B 110.1(9) . . ?
O14B C13B H13C 109.6 . . ?
C12B C13B H13C 109.6 . . ?
O14B C13B H13D 109.6 . . ?
C12B C13B H13D 109.6 . . ?
H13C C13B H13D 108.2 . . ?
C15B O14B C13B 111.4(8) . . ?
C15B O14B K1B 118.7(7) . . ?
C13B O14B K1B 119.0(6) . . ?
O14B C15B C16B 109.3(9) . . ?
O14B C15B H15C 109.8 . . ?
C16B C15B H15C 109.8 . . ?
O14B C15B H15D 109.8 . . ?
C16B C15B H15D 109.8 . . ?
H15C C15B H15D 108.3 . . ?
O17B C16B C15B 105.6(9) . . ?
O17B C16B H16C 110.6 . . ?
C15B C16B H16C 110.6 . . ?
O17B C16B H16D 110.6 . . ?
C15B C16B H16D 110.6 . . ?
H16C C16B H16D 108.7 . . ?
C18B O17B C16B 109.4(8) . . ?
C18B O17B K1B 113.4(7) . . ?
C16B O17B K1B 110.2(7) . . ?
O17B C18B C1B 106.5(8) . . ?
O17B C18B H18C 110.4 . . ?
C1B C18B H18C 110.4 . . ?
O17B C18B H18D 110.4 . . ?
C1B C18B H18D 110.4 . . ?
H18C C18B H18D 108.6 . . ?
O5C K1C O2C 61.1(5) . . ?
O5C K1C O14C 162.6(5) . . ?
O2C K1C O14C 121.7(5) . . ?
O5C K1C O11C 110.2(6) . . ?
O2C K1C O11C 160.7(5) . . ?
O14C K1C O11C 61.0(5) . . ?
O5C K1C O8C 59.2(4) . . ?
O2C K1C O8C 103.3(4) . . ?
O14C K1C O8C 104.8(5) . . ?
O11C K1C O8C 59.4(4) . . ?
O5C K1C O17C 118.5(5) . . ?
O2C K1C O17C 61.1(4) . . ?
O14C K1C O17C 60.6(5) . . ?
O11C K1C O17C 117.2(5) . . ?
O8C K1C O17C 118.0(5) . . ?
O5C K1C C18C 102.2(5) . . ?
O2C K1C C18C 41.9(5) . . ?
O14C K1C C18C 80.1(5) . . ?
O11C K1C C18C 137.8(6) . . ?
O8C K1C C18C 122.6(5) . . ?
O17C K1C C18C 20.6(4) . . ?
O5C K1C C4C 23.5(5) . . ?
O2C K1C C4C 40.9(5) . . ?
O14C K1C C4C 162.4(5) . . ?
O11C K1C C4C 133.5(6) . . ?
O8C K1C C4C 81.0(5) . . ?
O17C K1C C4C 101.8(5) . . ?
C18C K1C C4C 82.8(5) . . ?
O5C K1C C12C 131.4(6) . . ?
O2C K1C C12C 161.7(5) . . ?
O14C K1C C12C 41.8(6) . . ?
O11C K1C C12C 21.3(5) . . ?
O8C K1C C12C 78.8(5) . . ?
O17C K1C C12C 101.6(5) . . ?
C18C K1C C12C 121.7(6) . . ?
C4C K1C C12C 154.3(6) . . ?
O5C K1C C16C 141.5(5) . . ?
O2C K1C C16C 83.1(5) . . ?
O14C K1C C16C 38.9(5) . . ?
O11C K1C C16C 99.0(6) . . ?
O8C K1C C16C 122.8(5) . . ?
O17C K1C C16C 23.0(4) . . ?
C18C K1C C16C 41.3(5) . . ?
C4C K1C C16C 124.0(6) . . ?
C12C K1C C16C 80.7(6) . . ?
O5C K1C Pb2 121.7(3) . . ?
O2C K1C Pb2 113.1(4) . . ?
O14C K1C Pb2 74.2(4) . . ?
O11C K1C Pb2 86.1(3) . . ?
O8C K1C Pb2 137.5(3) . . ?
O17C K1C Pb2 98.8(4) . . ?
C18C K1C Pb2 99.4(4) . . ?
C4C K1C Pb2 113.0(4) . . ?
C12C K1C Pb2 73.4(4) . . ?
C16C K1C Pb2 83.7(4) . . ?
O5C K1C Pb6 76.3(3) . . ?
O2C K1C Pb6 81.5(3) . . ?
O14C K1C Pb6 120.6(4) . . ?
O11C K1C Pb6 114.3(4) . . ?
O8C K1C Pb6 123.0(3) . . ?
O17C K1C Pb6 113.7(4) . . ?
C18C K1C Pb6 98.9(4) . . ?
C4C K1C Pb6 66.2(3) . . ?
C12C K1C Pb6 112.9(4) . . ?
C16C K1C Pb6 114.2(4) . . ?
Pb2 K1C Pb6 47.11(7) . . ?
C18C C1C O2C 108.4(17) . . ?
C18C C1C H1C1 110.0 . . ?
O2C C1C H1C1 110.0 . . ?
C18C C1C H1C2 110.0 . . ?
O2C C1C H1C2 110.0 . . ?
H1C1 C1C H1C2 108.4 . . ?
C3C O2C C1C 115.0(14) . . ?
C3C O2C K1C 119.4(13) . . ?
C1C O2C K1C 115.7(11) . . ?
O2C C3C C4C 107.8(16) . . ?
O2C C3C H3C1 110.1 . . ?
C4C C3C H3C1 110.1 . . ?
O2C C3C H3C2 110.1 . . ?
C4C C3C H3C2 110.1 . . ?
H3C1 C3C H3C2 108.5 . . ?
C3C C4C O5C 110.4(16) . . ?
C3C C4C K1C 82.9(11) . . ?
O5C C4C K1C 46.8(9) . . ?
C3C C4C H4C1 109.6 . . ?
O5C C4C H4C1 109.6 . . ?
K1C C4C H4C1 85.1 . . ?
C3C C4C H4C2 109.6 . . ?
O5C C4C H4C2 109.6 . . ?
K1C C4C H4C2 156.4 . . ?
H4C1 C4C H4C2 108.1 . . ?
C6C O5C C4C 108.7(13) . . ?
C6C O5C K1C 117.7(11) . . ?
C4C O5C K1C 109.6(13) . . ?
O5C C6C C7C 103.5(15) . . ?
O5C C6C H6C1 111.1 . . ?
C7C C6C H6C1 111.1 . . ?
O5C C6C H6C2 111.1 . . ?
C7C C6C H6C2 111.1 . . ?
H6C1 C6C H6C2 109.0 . . ?
O8C C7C C6C 115(2) . . ?
O8C C7C H7C1 108.4 . . ?
C6C C7C H7C1 108.4 . . ?
O8C C7C H7C2 108.4 . . ?
C6C C7C H7C2 108.4 . . ?
H7C1 C7C H7C2 107.5 . . ?
C9C O8C C7C 115.8(17) . . ?
C9C O8C K1C 117.2(10) . . ?
C7C O8C K1C 112.3(11) . . ?
O8C C9C C10C 108.5(19) . . ?
O8C C9C H9C1 110.0 . . ?
C10C C9C H9C1 110.0 . . ?
O8C C9C H9C2 110.0 . . ?
C10C C9C H9C2 110.0 . . ?
H9C1 C9C H9C2 108.4 . . ?
O11C C10C C9C 112.8(17) . . ?
O11C C10C H10H 109.0 . . ?
C9C C10C H10H 109.0 . . ?
O11C C10C H10I 109.0 . . ?
C9C C10C H10I 109.0 . . ?
H10H C10C H10I 107.8 . . ?
C12C O11C C10C 112.4(17) . . ?
C12C O11C K1C 110.9(14) . . ?
C10C O11C K1C 113.7(11) . . ?
O11C C12C C13C 119.4(18) . . ?
O11C C12C K1C 47.8(10) . . ?
C13C C12C K1C 84.6(12) . . ?
O11C C12C H12E 107.5 . . ?
C13C C12C H12E 107.5 . . ?
K1C C12C H12E 90.2 . . ?
O11C C12C H12F 107.5 . . ?
C13C C12C H12F 107.5 . . ?
K1C C12C H12F 154.2 . . ?
H12E C12C H12F 107.0 . . ?
O14C C13C C12C 109.0(18) . . ?
O14C C13C H13E 109.9 . . ?
C12C C13C H13E 109.9 . . ?
O14C C13C H13F 109.9 . . ?
C12C C13C H13F 109.9 . . ?
H13E C13C H13F 108.3 . . ?
C15C O14C C13C 108.4(18) . . ?
C15C O14C K1C 122.5(13) . . ?
C13C O14C K1C 120.2(15) . . ?
O14C C15C C16C 108(2) . . ?
O14C C15C H15E 110.2 . . ?
C16C C15C H15E 110.2 . . ?
O14C C15C H15F 110.2 . . ?
C16C C15C H15F 110.2 . . ?
H15E C15C H15F 108.5 . . ?
O17C C16C C15C 123(2) . . ?
O17C C16C K1C 52.5(11) . . ?
C15C C16C K1C 83.2(15) . . ?
O17C C16C H16E 106.6 . . ?
C15C C16C H16E 106.6 . . ?
K1C C16C H16E 157.6 . . ?
O17C C16C H16F 106.6 . . ?
C15C C16C H16F 106.6 . . ?
K1C C16C H16F 89.2 . . ?
H16E C16C H16F 106.5 . . ?
C18C O17C C16C 132(2) . . ?
C18C O17C K1C 106.6(14) . . ?
C16C O17C K1C 104.5(12) . . ?
O17C C18C C1C 123(2) . . ?
O17C C18C K1C 52.8(12) . . ?
C1C C18C K1C 85.3(15) . . ?
O17C C18C H18E 106.7 . . ?
C1C C18C H18E 106.7 . . ?
K1C C18C H18E 85.5 . . ?
O17C C18C H18F 106.7 . . ?
C1C C18C H18F 106.7 . . ?
K1C C18C H18F 159.1 . . ?
H18E C18C H18F 106.6 . . ?
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 117.1(7) . . ?
C3D C2D C1D 120.5(10) . . ?
C7D C2D C1D 122.4(10) . . ?
C2D C3D C4D 122.4(9) . . ?
C2D C3D H3D 118.8 . . ?
C4D C3D H3D 118.8 . . ?
C5D C4D C3D 121.1(8) . . ?
C5D C4D H4D 119.5 . . ?
C3D C4D H4D 119.5 . . ?
C4D C5D C6D 118.5(8) . . ?
C4D C5D H5D 120.8 . . ?
C6D C5D H5D 120.8 . . ?
C7D C6D C5D 122.9(9) . . ?
C7D C6D H6D 118.5 . . ?
C5D C6D H6D 118.5 . . ?
C6D C7D C2D 117.6(8) . . ?
C6D C7D H7D 121.2 . . ?
C2D C7D H7D 121.2 . . ?
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 116.3(10) . . ?
C3E C2E C1E 119.7(15) . . ?
C7E C2E C1E 122.9(14) . . ?
C2E C3E C4E 123.4(13) . . ?
C2E C3E H3E 118.3 . . ?
C4E C3E H3E 118.3 . . ?
C5E C4E C3E 118.8(11) . . ?
C5E C4E H4E 120.6 . . ?
C3E C4E H4E 120.6 . . ?
C4E C5E C6E 118.8(11) . . ?
C4E C5E H5E 120.6 . . ?
C6E C5E H5E 120.6 . . ?
C7E C6E C5E 124.0(13) . . ?
C7E C6E H6E 118.0 . . ?
C5E C6E H6E 118.0 . . ?
C6E C7E C2E 116.3(11) . . ?
C6E C7E H7E 121.9 . . ?
C2E C7E H7E 121.9 . . ?
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
Cu1 Ru1 2.8428(13) . ?
Cu1 Pb2 2.9624(9) . ?
Cu1 Pb8 2.9762(9) . ?
Cu1 Pb9 2.9886(8) . ?
Cu1 Pb3 2.9896(8) . ?
Cu1 Pb10 3.0039(9) . ?
Cu1 Pb6 3.0088(10) . ?
Cu1 Pb7 3.0111(10) . ?
Cu1 Pb11 3.0168(11) . ?
Cu1 Pb4 3.0367(9) . ?
Cu1 Pb5 3.0518(10) . ?
Cu1 Pb1 3.0748(11) . ?
Pb1 Pb5 3.1622(4) . ?
Pb1 Pb4 3.1668(5) . ?
Pb1 Pb2 3.2109(5) . ?
Pb1 Pb3 3.2193(5) . ?
Pb1 Pb6 3.2333(4) . ?
Pb2 Pb3 3.1352(4) . ?
Pb2 Pb6 3.1580(4) . ?
Pb2 Pb10 3.2547(5) . ?
Pb2 Pb11 3.2681(6) . ?
Pb2 K1C 3.601(6) . ?
Pb2 K1B 3.739(5) . ?
Pb3 Pb4 3.1837(5) . ?
Pb3 Pb7 3.2327(5) . ?
Pb3 Pb11 3.2684(5) . ?
Pb4 Pb5 3.1627(4) . ?
Pb4 Pb8 3.2590(5) . ?
Pb4 Pb7 3.2994(6) . ?
Pb5 Pb6 3.1829(4) . ?
Pb5 Pb8 3.2865(6) . ?
Pb5 Pb9 3.2940(5) . ?
Pb6 Pb9 3.2341(5) . ?
Pb6 Pb10 3.2710(6) . ?
Pb6 K1C 4.187(6) . ?
Pb7 Ru1 2.9462(6) . ?
Pb7 Pb8 3.0696(4) . ?
Pb7 Pb11 3.0781(4) . ?
Pb8 Ru1 2.9412(7) . ?
Pb8 Pb9 3.0493(4) . ?
Pb8 K1 3.7849(16) . ?
Pb9 Ru1 2.9659(7) . ?
Pb9 Pb10 3.0812(5) . ?
Pb10 Ru1 2.9459(7) . ?
Pb10 Pb11 3.0615(4) . ?
Pb11 Ru1 2.9251(6) . ?
Ru1 C4 2.197(7) . ?
Ru1 C5 2.203(7) . ?
Ru1 C2 2.207(9) . ?
Ru1 C1 2.234(9) . ?
Ru1 C3 2.241(8) . ?
C1 C2 1.424(10) . ?
C1 C6 1.440(11) . ?
C1 C5 1.509(11) . ?
C2 C3 1.442(10) . ?
C2 C7 1.483(10) . ?
C3 C8 1.469(10) . ?
C3 C4 1.477(9) . ?
C4 C5 1.434(9) . ?
C4 C9 1.503(9) . ?
C5 C10 1.458(9) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
K1 O5A 2.779(5) . ?
K1 O17A 2.804(6) . ?
K1 O11A 2.806(5) . ?
K1 O14A 2.829(5) . ?
K1 O8A 2.836(6) . ?
K1 O2A 2.843(5) . ?
C1A O2A 1.380(8) . ?
C1A C18A 1.532(11) . ?
C1A H1A1 0.9900 . ?
C1A H1A2 0.9900 . ?
O2A C3A 1.413(7) . ?
C3A C4A 1.511(9) . ?
C3A H3A1 0.9900 . ?
C3A H3A2 0.9900 . ?
C4A O5A 1.384(7) . ?
C4A H4A1 0.9900 . ?
C4A H4A2 0.9900 . ?
O5A C6A 1.417(8) . ?
C6A C7A 1.488(9) . ?
C6A H6A1 0.9900 . ?
C6A H6A2 0.9900 . ?
C7A O8A 1.429(7) . ?
C7A H7A1 0.9900 . ?
C7A H7A2 0.9900 . ?
O8A C9A 1.419(7) . ?
C9A C10A 1.512(10) . ?
C9A H9A1 0.9900 . ?
C9A H9A2 0.9900 . ?
C10A O11A 1.425(7) . ?
C10A H10D 0.9900 . ?
C10A H10E 0.9900 . ?
O11A C12A 1.427(6) . ?
C12A C13A 1.484(9) . ?
C12A H12A 0.9900 . ?
C12A H12B 0.9900 . ?
C13A O14A 1.418(8) . ?
C13A H13A 0.9900 . ?
C13A H13B 0.9900 . ?
O14A C15A 1.385(8) . ?
C15A C16A 1.517(10) . ?
C15A H15A 0.9900 . ?
C15A H15B 0.9900 . ?
C16A O17A 1.399(7) . ?
C16A H16A 0.9900 . ?
C16A H16B 0.9900 . ?
O17A C18A 1.398(8) . ?
C18A H18A 0.9900 . ?
C18A H18B 0.9900 . ?
K1B O8B 2.787(9) . ?
K1B O2B 2.788(9) . ?
K1B O14B 2.797(9) . ?
K1B O5B 2.823(8) . ?
K1B O11B 2.865(9) . ?
K1B O17B 2.902(10) . ?
C1B O2B 1.390(9) . ?
C1B C18B 1.533(13) . ?
C1B H1B1 0.9900 . ?
C1B H1B2 0.9900 . ?
O2B C3B 1.407(9) . ?
C3B C4B 1.525(11) . ?
C3B H3B1 0.9900 . ?
C3B H3B2 0.9900 . ?
C4B O5B 1.381(9) . ?
C4B H4B1 0.9900 . ?
C4B H4B2 0.9900 . ?
O5B C6B 1.418(10) . ?
C6B C7B 1.482(11) . ?
C6B H6B1 0.9900 . ?
C6B H6B2 0.9900 . ?
C7B O8B 1.425(9) . ?
C7B H7B1 0.9900 . ?
C7B H7B2 0.9900 . ?
O8B C9B 1.435(9) . ?
C9B C10B 1.510(12) . ?
C9B H9B1 0.9900 . ?
C9B H9B2 0.9900 . ?
C10B O11B 1.423(10) . ?
C10B H10F 0.9900 . ?
C10B H10G 0.9900 . ?
O11B C12B 1.430(9) . ?
C12B C13B 1.483(10) . ?
C12B H12C 0.9900 . ?
C12B H12D 0.9900 . ?
C13B O14B 1.421(9) . ?
C13B H13C 0.9900 . ?
C13B H13D 0.9900 . ?
O14B C15B 1.384(10) . ?
C15B C16B 1.522(11) . ?
C15B H15C 0.9900 . ?
C15B H15D 0.9900 . ?
C16B O17B 1.409(9) . ?
C16B H16C 0.9900 . ?
C16B H16D 0.9900 . ?
O17B C18B 1.390(9) . ?
C18B H18C 0.9900 . ?
C18B H18D 0.9900 . ?
K1C O5C 2.704(15) . ?
K1C O2C 2.749(13) . ?
K1C O14C 2.773(15) . ?
K1C O11C 2.778(16) . ?
K1C O8C 2.889(15) . ?
K1C O17C 2.892(17) . ?
K1C C18C 3.48(2) . ?
K1C C4C 3.492(19) . ?
K1C C12C 3.50(2) . ?
K1C C16C 3.53(3) . ?
C1C C18C 1.39(3) . ?
C1C O2C 1.48(3) . ?
C1C H1C1 0.9900 . ?
C1C H1C2 0.9900 . ?
O2C C3C 1.36(2) . ?
C3C C4C 1.47(3) . ?
C3C H3C1 0.9900 . ?
C3C H3C2 0.9900 . ?
C4C O5C 1.48(2) . ?
C4C H4C1 0.9900 . ?
C4C H4C2 0.9900 . ?
O5C C6C 1.45(2) . ?
C6C C7C 1.46(3) . ?
C6C H6C1 0.9900 . ?
C6C H6C2 0.9900 . ?
C7C O8C 1.43(2) . ?
C7C H7C1 0.9900 . ?
C7C H7C2 0.9900 . ?
O8C C9C 1.42(2) . ?
C9C C10C 1.49(3) . ?
C9C H9C1 0.9900 . ?
C9C H9C2 0.9900 . ?
C10C O11C 1.40(2) . ?
C10C H10H 0.9900 . ?
C10C H10I 0.9900 . ?
O11C C12C 1.36(2) . ?
C12C C13C 1.48(3) . ?
C12C H12E 0.9900 . ?
C12C H12F 0.9900 . ?
C13C O14C 1.39(3) . ?
C13C H13E 0.9900 . ?
C13C H13F 0.9900 . ?
O14C C15C 1.31(3) . ?
C15C C16C 1.43(3) . ?
C15C H15E 0.9900 . ?
C15C H15F 0.9900 . ?
C16C O17C 1.42(2) . ?
C16C H16E 0.9900 . ?
C16C H16F 0.9900 . ?
O17C C18C 1.28(2) . ?
C18C H18E 0.9900 . ?
C18C H18F 0.9900 . ?
C1D C2D 1.424(11) . ?
C1D H1D1 0.9800 . ?
C1D H1D2 0.9800 . ?
C1D H1D3 0.9800 . ?
C2D C3D 1.365(10) . ?
C2D C7D 1.422(12) . ?
C3D C4D 1.419(10) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.249(13) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.438(11) . ?
C5D H5D 0.9500 . ?
C6D C7D 1.355(10) . ?
C6D H6D 0.9500 . ?
C7D H7D 0.9500 . ?
C1E C2E 1.430(13) . ?
C1E H1E1 0.9800 . ?
C1E H1E2 0.9800 . ?
C1E H1E3 0.9800 . ?
C2E C3E 1.365(12) . ?
C2E C7E 1.421(15) . ?
C3E C4E 1.425(12) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.257(16) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.432(12) . ?
C5E H5E 0.9500 . ?
C6E C7E 1.365(12) . ?
C6E H6E 0.9500 . ?
C7E H7E 0.9500 . ?
