#------------------------------------------------------------------------------
#$Date: 2021-09-06 14:01:32 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268730 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/75/7707587.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_7707587
loop_
_publ_author_name
'Cesari, Cristiana'
'Bortoluzzi, Marco'
'Femoni, Cristina'
'Iapalucci, Maria Carmela'
'Zacchini, Stefano'
_publ_section_title
;
 One-pot atmospheric pressure synthesis of
 [H₃Ru₄(CO)₁₂]<sup/>.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9610
_journal_page_last               9622
_journal_paper_doi               10.1039/d1dt01517f
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C50 H42 Br2 Cu6 N2 O34 Ru12'
_chemical_formula_weight         2968.75
_space_group_crystal_system      monoclinic
_space_group_IT_number           10
_space_group_name_Hall           '-P 2y'
_space_group_name_H-M_alt        'P 1 2/m 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-05-06 deposited with the CCDC.	2021-06-04 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.328(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.7124(12)
_cell_length_b                   19.7578(17)
_cell_length_c                   17.3324(15)
_cell_measurement_reflns_used    9966
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.2045
_cell_measurement_theta_min      2.3655
_cell_volume                     4374.2(7)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_molecular_graphics    'SCHAKAL99 (Keller, 1999)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'PHOTON2 area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0956
_diffrn_reflns_av_unetI/netI     0.0579
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            50323
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.048
_diffrn_reflns_theta_max         25.048
_diffrn_reflns_theta_min         1.629
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.412
_exptl_absorpt_correction_T_max  0.3330
_exptl_absorpt_correction_T_min  0.1743
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1661 (selected reflections only, before parameter refinement)
 R(int) = 0.0788 (selected reflections only, after parameter refinement)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.254
_exptl_crystal_description       plate
_exptl_crystal_F_000             2800
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.746
_refine_diff_density_min         -1.094
_refine_diff_density_rms         0.267
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     516
_refine_ls_number_reflns         8024
_refine_ls_number_restraints     270
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0900
_refine_ls_R_factor_gt           0.0643
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0805P)²+26.3393P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1579
_refine_ls_wR_factor_ref         0.1727
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5760
_reflns_number_total             8024
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt01517f3.cif
_cod_data_source_block           9
_cod_depositor_comments
'Adding full bibliography for 7707576--7707590.cif.'
_cod_original_sg_symbol_H-M      'P 2/m'
_cod_database_code               7707587
_shelx_shelxl_version_number     2014/7
_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   0.504
_shelx_estimated_absorpt_t_max   0.620
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'-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
Ru1 Ru 0.57142(7) 0.57720(4) 0.38116(5) 0.0369(2) Uani 1 1 d D . . . .
H1 H 0.6085(4) 0.5000 0.3181(3) 0.044 Uiso 1 2 d DS U P . .
Ru2 Ru 0.64782(8) 0.57167(5) 0.24943(6) 0.0475(3) Uani 1 1 d D . . . .
Ru3 Ru 0.45951(11) 0.5000 0.23025(8) 0.0483(4) Uani 1 2 d DS T P . .
Ru4 Ru 0.76201(10) 0.5000 0.39798(9) 0.0422(3) Uani 1 2 d DS T P . .
Ru5 Ru 0.58832(7) 0.89615(4) 0.25106(6) 0.0421(2) Uani 1 1 d D . . . .
Ru6 Ru 0.51060(11) 1.0000 0.32802(8) 0.0431(3) Uani 1 2 d DS T P . .
Ru7 Ru 0.72520(11) 1.0000 0.34450(8) 0.0473(3) Uani 1 2 d DS T P . .
Ru8 Ru 0.44266(9) 1.0000 0.15202(8) 0.0363(3) Uani 1 2 d DS T P . .
H2 H 0.5864(4) 1.0000 0.2455(3) 0.054 Uiso 1 2 d DS U P . .
Ru9 Ru 0.67154(9) 1.0000 0.16967(8) 0.0374(3) Uani 1 2 d DS T P . .
Cu1 Cu 0.40085(16) 0.5000 0.35926(12) 0.0464(5) Uani 1 2 d S T P . .
Cu2 Cu 0.5000 0.56191(9) 0.5000 0.0409(4) Uani 1 2 d S T P . .
Cu3 Cu 0.32421(15) 0.5000 0.48734(12) 0.0441(5) Uani 1 2 d S T P . .
Cu4 Cu 0.40727(14) 1.0000 -0.00754(12) 0.0394(4) Uani 1 2 d S T P . .
Cu5 Cu 0.53092(11) 0.90557(6) 0.08697(9) 0.0439(3) Uani 1 1 d . . . . .
Br1 Br 0.22548(16) 0.5000 0.34602(13) 0.0757(6) Uani 1 2 d S T P . .
Br2 Br 0.5000 0.81294(9) 0.0000 0.0756(6) Uani 1 2 d S T P . .
C1 C 0.4544(13) 0.6336(7) 0.3654(10) 0.075(4) Uani 1 1 d . . . . .
C2 C 0.6480(12) 0.6311(6) 0.4732(9) 0.065(4) Uani 1 1 d . . . . .
C3 C 0.6143(14) 0.6487(5) 0.3141(9) 0.073(5) Uani 1 1 d . . . . .
C4 C 0.7711(13) 0.6191(7) 0.2630(12) 0.087(5) Uani 1 1 d . . . . .
C5 C 0.5695(15) 0.6208(9) 0.1523(10) 0.092(6) Uani 1 1 d . . . . .
C6 C 0.6903(15) 0.5000 0.1768(11) 0.056(5) Uani 1 2 d S T P . .
C7 C 0.4456(17) 0.5000 0.1206(12) 0.080(7) Uani 1 2 d S T P . .
C8 C 0.3587(13) 0.4319(10) 0.2078(10) 0.094(6) Uani 1 1 d . . . . .
C9 C 0.8365(12) 0.5684(8) 0.4737(12) 0.087(5) Uani 1 1 d . . . . .
C10 C 0.8661(17) 0.5000 0.3476(12) 0.071(6) Uani 1 2 d S T P . .
C21 C 0.7341(10) 0.9316(6) 0.1271(9) 0.061(4) Uani 1 1 d . . . . .
C22 C 0.6744(12) 0.8347(6) 0.2240(10) 0.071(4) Uani 1 1 d . . . . .
C23 C 0.8116(18) 1.0000 0.2673(14) 0.080(6) Uani 1 2 d S TU P . .
C24 C 0.6283(14) 0.8572(7) 0.3578(9) 0.076(4) Uani 1 1 d . . . . .
C25 C 0.8155(12) 1.0663(10) 0.4045(10) 0.088(5) Uani 1 1 d . . . . .
C26 C 0.6481(13) 1.0000 0.4331(10) 0.049(4) Uani 1 2 d S T P . .
C27 C 0.4571(11) 0.9293(7) 0.3760(8) 0.063(4) Uani 1 1 d . . . . .
C28 C 0.3659(15) 1.0000 0.2336(11) 0.069(6) Uani 1 2 d S T P . .
C29 C 0.4744(13) 0.8353(7) 0.2143(10) 0.081(5) Uani 1 1 d . . . . .
C30 C 0.3482(10) 0.9324(7) 0.0959(8) 0.058(3) Uani 1 1 d . . . . .
O1 O 0.3932(9) 0.6740(6) 0.3532(8) 0.105(4) Uani 1 1 d . U . . .
O2 O 0.6900(9) 0.6713(5) 0.5180(7) 0.088(3) Uani 1 1 d . U . . .
O3 O 0.6110(11) 0.7074(6) 0.3118(8) 0.108(4) Uani 1 1 d . U . . .
O4 O 0.8404(11) 0.6506(7) 0.2711(10) 0.135(5) Uani 1 1 d . U . . .
O5 O 0.5278(13) 0.6521(8) 0.0967(8) 0.135(5) Uani 1 1 d . U . . .
O6 O 0.7285(14) 0.5000 0.1261(10) 0.094(5) Uani 1 2 d S TU P . .
O7 O 0.4309(15) 0.5000 0.0502(11) 0.120(6) Uani 1 2 d S TU P . .
O8 O 0.2972(12) 0.3896(9) 0.1883(9) 0.145(6) Uani 1 1 d . U . . .
O9 O 0.8874(10) 0.6082(7) 0.5144(9) 0.121(5) Uani 1 1 d . U . . .
O10 O 0.9358(12) 0.5000 0.3282(11) 0.100(5) Uani 1 2 d S TU P . .
O21 O 0.7873(8) 0.8962(5) 0.1106(7) 0.086(3) Uani 1 1 d . U . . .
O22 O 0.7275(11) 0.7941(6) 0.2135(8) 0.110(4) Uani 1 1 d . U . . .
O23 O 0.8986(14) 1.0000 0.2750(12) 0.143(7) Uani 1 2 d S TU P . .
O24 O 0.6518(11) 0.8323(5) 0.4221(7) 0.102(4) Uani 1 1 d . U . . .
O25 O 0.8762(12) 1.1076(8) 0.4383(10) 0.150(6) Uani 1 1 d . U . . .
O26 O 0.6747(10) 1.0000 0.5041(8) 0.070(4) Uani 1 2 d S TU P . .
O27 O 0.4184(9) 0.8888(6) 0.4027(7) 0.097(4) Uani 1 1 d . U . . .
O28 O 0.2785(12) 1.0000 0.2287(9) 0.101(5) Uani 1 2 d S TU P . .
O29 O 0.4090(10) 0.7970(7) 0.1967(9) 0.129(5) Uani 1 1 d . U . . .
O30 O 0.2777(8) 0.8955(6) 0.0673(7) 0.090(3) Uani 1 1 d . U . . .
N1 N 0.9050(17) 0.7886(11) 0.7151(14) 0.164(5) Uani 1 1 d D U . . .
C101 C 0.9997(19) 0.7876(15) 0.6945(15) 0.170(6) Uani 1 1 d D U . . .
H10A H 1.0507 0.7591 0.7348 0.205 Uiso 1 1 calc R U . . .
H10B H 1.0281 0.8331 0.7020 0.205 Uiso 1 1 calc R U . . .
C102 C 0.9907(19) 0.7633(15) 0.6068(16) 0.197(9) Uani 1 1 d D U . . .
H10C H 1.0583 0.7654 0.6022 0.296 Uiso 1 1 calc R U . . .
H10D H 0.9656 0.7175 0.5986 0.296 Uiso 1 1 calc DR U . . .
H10E H 0.9428 0.7920 0.5656 0.296 Uiso 1 1 calc DR U . . .
C103 C 0.8313(17) 0.8359(13) 0.6554(17) 0.185(6) Uani 1 1 d D U . . .
H10F H 0.7658 0.8360 0.6649 0.222 Uiso 1 1 calc R U . . .
H10G H 0.8169 0.8193 0.5997 0.222 Uiso 1 1 calc DR U . . .
C104 C 0.872(2) 0.9099(12) 0.6613(17) 0.198(10) Uani 1 1 d D U . . .
H10H H 0.8209 0.9374 0.6211 0.297 Uiso 1 1 calc R U . . .
H10I H 0.8851 0.9273 0.7158 0.297 Uiso 1 1 calc DR U . . .
H10J H 0.9362 0.9105 0.6505 0.297 Uiso 1 1 calc R U . . .
C105 C 0.8623(18) 0.7185(12) 0.7045(14) 0.176(6) Uani 1 1 d D U . . .
H10K H 0.7952 0.7202 0.7113 0.211 Uiso 1 1 calc DR U . . .
H10L H 0.8487 0.7052 0.6476 0.211 Uiso 1 1 calc DR U . . .
C106 C 0.9244(19) 0.6637(13) 0.7587(15) 0.166(8) Uani 1 1 d D U . . .
H10M H 0.8866 0.6218 0.7443 0.249 Uiso 1 1 calc R U . . .
H10N H 0.9903 0.6593 0.7514 0.249 Uiso 1 1 calc R U . . .
H10O H 0.9366 0.6744 0.8154 0.249 Uiso 1 1 calc R U . . .
C107 C 0.9458(18) 0.8142(14) 0.8000(14) 0.175(6) Uani 1 1 d D U . . .
H10P H 0.9767 0.8587 0.8027 0.210 Uiso 1 1 calc DR U . . .
H10Q H 0.9975 0.7837 0.8365 0.210 Uiso 1 1 calc R U . . .
C108 C 0.845(2) 0.8171(16) 0.8221(16) 0.224(10) Uani 1 1 d D U . . .
H10R H 0.8633 0.8336 0.8777 0.335 Uiso 1 1 calc R U . . .
H10S H 0.7952 0.8469 0.7844 0.335 Uiso 1 1 calc R U . . .
H10T H 0.8159 0.7726 0.8179 0.335 Uiso 1 1 calc DR U . . .
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'
Br Br -0.2901 2.4595 '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'
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'
Ru Ru -1.2594 0.8363 '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
C2 Ru1 C1 88.4(7) . . ?
C2 Ru1 C3 84.5(6) . . ?
C1 Ru1 C3 85.1(6) . . ?
C2 Ru1 Cu2 69.5(4) . . ?
C1 Ru1 Cu2 68.8(5) . . ?
C3 Ru1 Cu2 143.0(3) . . ?
C2 Ru1 Cu3 69.0(4) . 3_666 ?
C1 Ru1 Cu3 128.4(5) . 3_666 ?
C3 Ru1 Cu3 134.4(5) . 3_666 ?
Cu2 Ru1 Cu3 59.94(5) . 3_666 ?
C2 Ru1 Cu1 128.6(4) . . ?
C1 Ru1 Cu1 70.5(5) . . ?
C3 Ru1 Cu1 136.3(5) . . ?
Cu2 Ru1 Cu1 59.29(5) . . ?
Cu3 Ru1 Cu1 88.02(6) 3_666 . ?
C2 Ru1 Ru2 116.5(4) . . ?
C1 Ru1 Ru2 116.6(5) . . ?
C3 Ru1 Ru2 45.9(3) . . ?
Cu2 Ru1 Ru2 171.11(5) . . ?
Cu3 Ru1 Ru2 114.99(5) 3_666 . ?
Cu1 Ru1 Ru2 114.79(5) . . ?
C2 Ru1 Ru3 175.5(4) . . ?
C1 Ru1 Ru3 92.1(5) . . ?
C3 Ru1 Ru3 91.0(4) . . ?
Cu2 Ru1 Ru3 114.86(4) . . ?
Cu3 Ru1 Ru3 113.98(4) 3_666 . ?
Cu1 Ru1 Ru3 55.64(5) . . ?
Ru2 Ru1 Ru3 59.29(4) . . ?
C2 Ru1 Ru4 90.4(5) . . ?
C1 Ru1 Ru4 174.3(4) . . ?
C3 Ru1 Ru4 89.2(4) . . ?
Cu2 Ru1 Ru4 115.94(5) . . ?
Cu3 Ru1 Ru4 56.08(5) 3_666 . ?
Cu1 Ru1 Ru4 114.40(4) . . ?
Ru2 Ru1 Ru4 59.10(4) . . ?
Ru3 Ru1 Ru4 88.66(4) . . ?
C2 Ru1 Ru1 124.3(4) . 4_565 ?
C1 Ru1 Ru1 126.1(5) . 4_565 ?
C3 Ru1 Ru1 133.7(3) . 4_565 ?
Cu2 Ru1 Ru1 83.33(4) . 4_565 ?
Cu3 Ru1 Ru1 55.35(3) 3_666 4_565 ?
Cu1 Ru1 Ru1 55.62(3) . 4_565 ?
Ru2 Ru1 Ru1 87.80(2) . 4_565 ?
Ru3 Ru1 Ru1 58.67(2) . 4_565 ?
Ru4 Ru1 Ru1 58.84(2) . 4_565 ?
C2 Ru1 H1 134.6(5) . . ?
C1 Ru1 H1 136.5(5) . . ?
C3 Ru1 H1 91.9(3) . . ?
Cu2 Ru1 H1 125.09(12) . . ?
Cu3 Ru1 H1 82.55(14) 3_666 . ?
Cu1 Ru1 H1 82.79(14) . . ?
Ru2 Ru1 H1 46.03(11) . . ?
Ru3 Ru1 H1 44.50(15) . . ?
Ru4 Ru1 H1 44.21(15) . . ?
Ru1 Ru1 H1 41.77(11) 4_565 . ?
C4 Ru2 C5 92.8(8) . . ?
C4 Ru2 C3 86.0(6) . . ?
C5 Ru2 C3 86.5(7) . . ?
C4 Ru2 C6 88.8(6) . . ?
C5 Ru2 C6 90.2(7) . . ?
C3 Ru2 C6 173.7(5) . . ?
C4 Ru2 Ru2 120.0(4) . 4_565 ?
C5 Ru2 Ru2 120.7(6) . 4_565 ?
C3 Ru2 Ru2 138.3(3) . 4_565 ?
C6 Ru2 Ru2 47.9(3) . 4_565 ?
C4 Ru2 Ru1 117.4(6) . . ?
C5 Ru2 Ru1 116.0(5) . . ?
C3 Ru2 Ru1 46.1(3) . . ?
C6 Ru2 Ru1 140.1(3) . . ?
Ru2 Ru2 Ru1 92.20(2) 4_565 . ?
C4 Ru2 Ru4 87.8(6) . . ?
C5 Ru2 Ru4 178.2(5) . . ?
C3 Ru2 Ru4 91.9(4) . . ?
C6 Ru2 Ru4 91.4(5) . . ?
Ru2 Ru2 Ru4 60.27(2) 4_565 . ?
Ru1 Ru2 Ru4 62.34(3) . . ?
C4 Ru2 Ru3 179.4(5) . . ?
C5 Ru2 Ru3 87.4(6) . . ?
C3 Ru2 Ru3 93.4(4) . . ?
C6 Ru2 Ru3 91.8(4) . . ?
Ru2 Ru2 Ru3 60.28(2) 4_565 . ?
Ru1 Ru2 Ru3 61.99(4) . . ?
Ru4 Ru2 Ru3 92.02(4) . . ?
C4 Ru2 H1 133.7(6) . . ?
C5 Ru2 H1 133.2(6) . . ?
C3 Ru2 H1 92.1(4) . . ?
C6 Ru2 H1 94.1(3) . . ?
Ru2 Ru2 H1 46.17(11) 4_565 . ?
Ru1 Ru2 H1 46.03(10) . . ?
Ru4 Ru2 H1 46.04(15) . . ?
Ru3 Ru2 H1 46.02(15) . . ?
C7 Ru3 C8 89.7(7) . 4_565 ?
C7 Ru3 C8 89.7(7) . . ?
C8 Ru3 C8 92.3(12) 4_565 . ?
C7 Ru3 Cu1 158.0(7) . . ?
C8 Ru3 Cu1 75.3(5) 4_565 . ?
C8 Ru3 Cu1 75.3(5) . . ?
C7 Ru3 Ru2 82.5(6) . . ?
C8 Ru3 Ru2 103.7(6) 4_565 . ?
C8 Ru3 Ru2 162.1(6) . . ?
Cu1 Ru3 Ru2 116.29(6) . . ?
C7 Ru3 Ru2 82.5(6) . 4_565 ?
C8 Ru3 Ru2 162.1(6) 4_565 4_565 ?
C8 Ru3 Ru2 103.7(6) . 4_565 ?
Cu1 Ru3 Ru2 116.29(6) . 4_565 ?
Ru2 Ru3 Ru2 59.44(5) . 4_565 ?
C7 Ru3 Ru1 138.2(4) . . ?
C8 Ru3 Ru1 85.3(5) 4_565 . ?
C8 Ru3 Ru1 132.0(5) . . ?
Cu1 Ru3 Ru1 57.72(5) . . ?
Ru2 Ru3 Ru1 58.72(3) . . ?
Ru2 Ru3 Ru1 89.79(5) 4_565 . ?
C7 Ru3 Ru1 138.2(4) . 4_565 ?
C8 Ru3 Ru1 132.0(5) 4_565 4_565 ?
C8 Ru3 Ru1 85.3(5) . 4_565 ?
Cu1 Ru3 Ru1 57.72(5) . 4_565 ?
Ru2 Ru3 Ru1 89.79(5) . 4_565 ?
Ru2 Ru3 Ru1 58.72(3) 4_565 4_565 ?
Ru1 Ru3 Ru1 62.67(4) . 4_565 ?
C7 Ru3 H1 117.8(7) . . ?
C8 Ru3 H1 128.0(6) 4_565 . ?
C8 Ru3 H1 128.0(6) . . ?
Cu1 Ru3 H1 84.21(16) . . ?
Ru2 Ru3 H1 45.69(11) . . ?
Ru2 Ru3 H1 45.69(11) 4_565 . ?
Ru1 Ru3 H1 44.19(10) . . ?
Ru1 Ru3 H1 44.19(10) 4_565 . ?
C9 Ru4 C9 90.5(11) 4_565 . ?
C9 Ru4 C10 90.7(7) 4_565 . ?
C9 Ru4 C10 90.7(7) . . ?
C9 Ru4 Cu3 75.9(5) 4_565 3_666 ?
C9 Ru4 Cu3 75.9(5) . 3_666 ?
C10 Ru4 Cu3 160.8(6) . 3_666 ?
C9 Ru4 Ru2 104.5(6) 4_565 4_565 ?
C9 Ru4 Ru2 162.8(6) . 4_565 ?
C10 Ru4 Ru2 81.1(5) . 4_565 ?
Cu3 Ru4 Ru2 115.29(6) 3_666 4_565 ?
C9 Ru4 Ru2 162.8(6) 4_565 . ?
C9 Ru4 Ru2 104.5(6) . . ?
C10 Ru4 Ru2 81.1(5) . . ?
Cu3 Ru4 Ru2 115.29(6) 3_666 . ?
Ru2 Ru4 Ru2 59.46(5) 4_565 . ?
C9 Ru4 Ru1 86.3(5) 4_565 4_565 ?
C9 Ru4 Ru1 132.1(5) . 4_565 ?
C10 Ru4 Ru1 137.1(4) . 4_565 ?
Cu3 Ru4 Ru1 56.91(4) 3_666 4_565 ?
Ru2 Ru4 Ru1 58.56(3) 4_565 4_565 ?
Ru2 Ru4 Ru1 89.52(5) . 4_565 ?
C9 Ru4 Ru1 132.1(5) 4_565 . ?
C9 Ru4 Ru1 86.3(5) . . ?
C10 Ru4 Ru1 137.1(4) . . ?
Cu3 Ru4 Ru1 56.91(4) 3_666 . ?
Ru2 Ru4 Ru1 89.52(5) 4_565 . ?
Ru2 Ru4 Ru1 58.56(3) . . ?
Ru1 Ru4 Ru1 62.32(4) 4_565 . ?
C9 Ru4 H1 128.8(5) 4_565 . ?
C9 Ru4 H1 128.8(5) . . ?
C10 Ru4 H1 116.2(7) . . ?
Cu3 Ru4 H1 83.00(16) 3_666 . ?
Ru2 Ru4 H1 45.71(11) 4_565 . ?
Ru2 Ru4 H1 45.71(11) . . ?
Ru1 Ru4 H1 43.90(10) 4_565 . ?
Ru1 Ru4 H1 43.90(10) . . ?
C22 Ru5 C29 91.2(7) . . ?
C22 Ru5 C24 89.8(6) . . ?
C29 Ru5 C24 88.9(7) . . ?
C22 Ru5 Cu5 75.3(5) . . ?
C29 Ru5 Cu5 78.3(5) . . ?
C24 Ru5 Cu5 160.0(4) . . ?
C22 Ru5 Ru7 105.3(5) . . ?
C29 Ru5 Ru7 160.3(5) . . ?
C24 Ru5 Ru7 80.8(5) . . ?
Cu5 Ru5 Ru7 115.66(5) . . ?
C22 Ru5 Ru6 164.0(5) . . ?
C29 Ru5 Ru6 102.2(5) . . ?
C24 Ru5 Ru6 81.9(4) . . ?
Cu5 Ru5 Ru6 115.62(5) . . ?
Ru7 Ru5 Ru6 59.91(4) . . ?
C22 Ru5 Ru8 131.6(4) . . ?
C29 Ru5 Ru8 86.8(4) . . ?
C24 Ru5 Ru8 138.4(5) . . ?
Cu5 Ru5 Ru8 56.96(4) . . ?
Ru7 Ru5 Ru8 89.80(3) . . ?
Ru6 Ru5 Ru8 58.80(4) . . ?
C22 Ru5 Ru9 86.7(4) . . ?
C29 Ru5 Ru9 134.3(5) . . ?
C24 Ru5 Ru9 136.6(5) . . ?
Cu5 Ru5 Ru9 57.06(4) . . ?
Ru7 Ru5 Ru9 58.77(4) . . ?
Ru6 Ru5 Ru9 89.92(3) . . ?
Ru8 Ru5 Ru9 62.20(3) . . ?
C22 Ru5 H2 129.5(4) . . ?
C29 Ru5 H2 128.7(5) . . ?
C24 Ru5 H2 116.5(4) . . ?
Cu5 Ru5 H2 83.49(15) . . ?
Ru7 Ru5 H2 45.80(15) . . ?
Ru6 Ru5 H2 45.87(15) . . ?
Ru8 Ru5 H2 44.07(15) . . ?
Ru9 Ru5 H2 44.11(15) . . ?
C27 Ru6 C27 94.3(8) . 4_575 ?
C27 Ru6 C28 86.2(5) . . ?
C27 Ru6 C28 86.2(5) 4_575 . ?
C27 Ru6 C26 89.3(5) . . ?
C27 Ru6 C26 89.3(5) 4_575 . ?
C28 Ru6 C26 173.5(7) . . ?
C27 Ru6 Ru8 116.1(4) . . ?
C27 Ru6 Ru8 116.1(4) 4_575 . ?
C28 Ru6 Ru8 45.9(5) . . ?
C26 Ru6 Ru8 140.6(5) . . ?
C27 Ru6 Ru7 120.3(4) . . ?
C27 Ru6 Ru7 120.3(4) 4_575 . ?
C28 Ru6 Ru7 137.7(5) . . ?
C26 Ru6 Ru7 48.8(5) . . ?
Ru8 Ru6 Ru7 91.77(5) . . ?
C27 Ru6 Ru5 86.9(4) . . ?
C27 Ru6 Ru5 178.2(4) 4_575 . ?
C28 Ru6 Ru5 92.5(4) . . ?
C26 Ru6 Ru5 92.0(3) . . ?
Ru8 Ru6 Ru5 62.09(3) . . ?
Ru7 Ru6 Ru5 60.00(3) . . ?
C27 Ru6 Ru5 178.2(4) . 4_575 ?
C27 Ru6 Ru5 86.9(4) 4_575 4_575 ?
C28 Ru6 Ru5 92.5(4) . 4_575 ?
C26 Ru6 Ru5 92.0(3) . 4_575 ?
Ru8 Ru6 Ru5 62.09(3) . 4_575 ?
Ru7 Ru6 Ru5 60.00(3) . 4_575 ?
Ru5 Ru6 Ru5 91.83(5) . 4_575 ?
C27 Ru6 H2 132.7(4) . . ?
C27 Ru6 H2 132.7(4) 4_575 . ?
C28 Ru6 H2 91.8(5) . . ?
C26 Ru6 H2 94.7(5) . . ?
Ru8 Ru6 H2 45.93(15) . . ?
Ru7 Ru6 H2 45.85(15) . . ?
Ru5 Ru6 H2 45.94(3) . . ?
Ru5 Ru6 H2 45.94(3) 4_575 . ?
C25 Ru7 C25 90.6(12) 4_575 . ?
C25 Ru7 C23 86.5(7) 4_575 . ?
C25 Ru7 C23 86.5(7) . . ?
C25 Ru7 C26 90.1(6) 4_575 . ?
C25 Ru7 C26 90.1(6) . . ?
C23 Ru7 C26 175.2(8) . . ?
C25 Ru7 Ru9 117.5(5) 4_575 . ?
C25 Ru7 Ru9 117.5(5) . . ?
C23 Ru7 Ru9 45.9(6) . . ?
C26 Ru7 Ru9 138.9(5) . . ?
C25 Ru7 Ru6 120.9(6) 4_575 . ?
C25 Ru7 Ru6 120.9(6) . . ?
C23 Ru7 Ru6 137.9(7) . . ?
C26 Ru7 Ru6 46.9(5) . . ?
Ru9 Ru7 Ru6 92.04(5) . . ?
C25 Ru7 Ru5 88.7(6) 4_575 . ?
C25 Ru7 Ru5 179.0(6) . . ?
C23 Ru7 Ru5 92.6(5) . . ?
C26 Ru7 Ru5 90.7(3) . . ?
Ru9 Ru7 Ru5 62.21(3) . . ?
Ru6 Ru7 Ru5 60.09(3) . . ?
C25 Ru7 Ru5 179.0(6) 4_575 4_575 ?
C25 Ru7 Ru5 88.7(6) . 4_575 ?
C23 Ru7 Ru5 92.6(5) . 4_575 ?
C26 Ru7 Ru5 90.7(3) . 4_575 ?
Ru9 Ru7 Ru5 62.21(3) . 4_575 ?
Ru6 Ru7 Ru5 60.09(3) . 4_575 ?
Ru5 Ru7 Ru5 91.93(5) . 4_575 ?
C25 Ru7 H2 134.6(6) 4_575 . ?
C25 Ru7 H2 134.6(6) . . ?
C23 Ru7 H2 92.0(7) . . ?
C26 Ru7 H2 92.8(5) . . ?
Ru9 Ru7 H2 46.06(15) . . ?
Ru6 Ru7 H2 45.98(15) . . ?
Ru5 Ru7 H2 45.99(3) . . ?
Ru5 Ru7 H2 45.99(3) 4_575 . ?
C30 Ru8 C30 91.2(9) . 4_575 ?
C30 Ru8 C28 85.8(5) . . ?
C30 Ru8 C28 85.8(5) 4_575 . ?
C30 Ru8 Cu4 67.9(4) . . ?
C30 Ru8 Cu4 67.9(4) 4_575 . ?
C28 Ru8 Cu4 141.5(5) . . ?
C30 Ru8 Cu5 127.7(4) . 4_575 ?
C30 Ru8 Cu5 67.5(4) 4_575 4_575 ?
C28 Ru8 Cu5 135.53(8) . 4_575 ?
Cu4 Ru8 Cu5 59.81(4) . 4_575 ?
C30 Ru8 Cu5 67.5(4) . . ?
C30 Ru8 Cu5 127.7(4) 4_575 . ?
C28 Ru8 Cu5 135.53(8) . . ?
Cu4 Ru8 Cu5 59.81(4) . . ?
Cu5 Ru8 Cu5 88.04(7) 4_575 . ?
C30 Ru8 Ru6 116.9(4) . . ?
C30 Ru8 Ru6 116.9(4) 4_575 . ?
C28 Ru8 Ru6 46.4(5) . . ?
Cu4 Ru8 Ru6 172.16(7) . . ?
Cu5 Ru8 Ru6 115.34(5) 4_575 . ?
Cu5 Ru8 Ru6 115.34(5) . . ?
C30 Ru8 Ru5 175.9(4) . 4_575 ?
C30 Ru8 Ru5 90.0(4) 4_575 4_575 ?
C28 Ru8 Ru5 90.4(4) . 4_575 ?
Cu4 Ru8 Ru5 116.13(4) . 4_575 ?
Cu5 Ru8 Ru5 56.37(4) 4_575 4_575 ?
Cu5 Ru8 Ru5 114.56(5) . 4_575 ?
Ru6 Ru8 Ru5 59.11(3) . 4_575 ?
C30 Ru8 Ru5 90.0(4) . . ?
C30 Ru8 Ru5 175.9(4) 4_575 . ?
C28 Ru8 Ru5 90.4(4) . . ?
Cu4 Ru8 Ru5 116.13(4) . . ?
Cu5 Ru8 Ru5 114.56(5) 4_575 . ?
Cu5 Ru8 Ru5 56.37(4) . . ?
Ru6 Ru8 Ru5 59.11(3) . . ?
Ru5 Ru8 Ru5 88.46(5) 4_575 . ?
C30 Ru8 Ru9 123.2(4) . . ?
C30 Ru8 Ru9 123.2(4) 4_575 . ?
C28 Ru8 Ru9 134.6(5) . . ?
Cu4 Ru8 Ru9 83.95(6) . . ?
Cu5 Ru8 Ru9 55.66(4) 4_575 . ?
Cu5 Ru8 Ru9 55.66(4) . . ?
Ru6 Ru8 Ru9 88.20(5) . . ?
Ru5 Ru8 Ru9 58.96(3) 4_575 . ?
Ru5 Ru8 Ru9 58.96(3) . . ?
C30 Ru8 H2 134.3(4) . . ?
C30 Ru8 H2 134.3(4) 4_575 . ?
C28 Ru8 H2 92.4(5) . . ?
Cu4 Ru8 H2 126.09(16) . . ?
Cu5 Ru8 H2 83.16(12) 4_575 . ?
Cu5 Ru8 H2 83.16(12) . . ?
Ru6 Ru8 H2 46.06(15) . . ?
Ru5 Ru8 H2 44.26(2) 4_575 . ?
Ru5 Ru8 H2 44.26(3) . . ?
Ru9 Ru8 H2 42.14(15) . . ?
C21 Ru9 C21 91.4(8) . 4_575 ?
C21 Ru9 C23 84.3(6) . . ?
C21 Ru9 C23 84.3(6) 4_575 . ?
C21 Ru9 Cu4 69.5(4) . 3_675 ?
C21 Ru9 Cu4 69.5(4) 4_575 3_675 ?
C23 Ru9 Cu4 141.6(6) . 3_675 ?
C21 Ru9 Cu5 68.6(4) . . ?
C21 Ru9 Cu5 128.8(4) 4_575 . ?
C23 Ru9 Cu5 135.69(8) . . ?
Cu4 Ru9 Cu5 59.49(4) 3_675 . ?
C21 Ru9 Cu5 128.8(4) . 4_575 ?
C21 Ru9 Cu5 68.6(4) 4_575 4_575 ?
C23 Ru9 Cu5 135.69(8) . 4_575 ?
Cu4 Ru9 Cu5 59.49(4) 3_675 4_575 ?
Cu5 Ru9 Cu5 87.78(7) . 4_575 ?
C21 Ru9 Ru7 116.0(4) . . ?
C21 Ru9 Ru7 116.0(4) 4_575 . ?
C23 Ru9 Ru7 47.0(6) . . ?
Cu4 Ru9 Ru7 171.33(7) 3_675 . ?
Cu5 Ru9 Ru7 115.13(5) . . ?
Cu5 Ru9 Ru7 115.13(5) 4_575 . ?
C21 Ru9 Ru5 174.8(4) . 4_575 ?
C21 Ru9 Ru5 89.9(4) 4_575 4_575 ?
C23 Ru9 Ru5 90.9(4) . 4_575 ?
Cu4 Ru9 Ru5 115.69(4) 3_675 4_575 ?
Cu5 Ru9 Ru5 114.25(5) . 4_575 ?
Cu5 Ru9 Ru5 56.27(4) 4_575 4_575 ?
Ru7 Ru9 Ru5 59.02(3) . 4_575 ?
C21 Ru9 Ru5 89.9(4) . . ?
C21 Ru9 Ru5 174.8(4) 4_575 . ?
C23 Ru9 Ru5 90.9(4) . . ?
Cu4 Ru9 Ru5 115.69(4) 3_675 . ?
Cu5 Ru9 Ru5 56.27(4) . . ?
Cu5 Ru9 Ru5 114.25(5) 4_575 . ?
Ru7 Ru9 Ru5 59.02(3) . . ?
Ru5 Ru9 Ru5 88.33(5) 4_575 . ?
C21 Ru9 Ru8 124.0(4) . . ?
C21 Ru9 Ru8 124.0(4) 4_575 . ?
C23 Ru9 Ru8 135.0(6) . . ?
Cu4 Ru9 Ru8 83.34(6) 3_675 . ?
Cu5 Ru9 Ru8 55.46(4) . . ?
Cu5 Ru9 Ru8 55.46(4) 4_575 . ?
Ru7 Ru9 Ru8 87.99(5) . . ?
Ru5 Ru9 Ru8 58.84(3) 4_575 . ?
Ru5 Ru9 Ru8 58.84(3) . . ?
C21 Ru9 H2 134.1(4) . . ?
C21 Ru9 H2 134.1(4) 4_575 . ?
C23 Ru9 H2 93.0(6) . . ?
Cu4 Ru9 H2 125.38(16) 3_675 . ?
Cu5 Ru9 H2 82.93(12) . . ?
Cu5 Ru9 H2 82.93(11) 4_575 . ?
Ru7 Ru9 H2 45.95(15) . . ?
Ru5 Ru9 H2 44.19(2) 4_575 . ?
Ru5 Ru9 H2 44.19(2) . . ?
Ru8 Ru9 H2 42.04(15) . . ?
Br1 Cu1 Cu2 104.99(8) . 3_666 ?
Br1 Cu1 Cu2 104.99(8) . . ?
Cu2 Cu1 Cu2 55.58(8) 3_666 . ?
Br1 Cu1 Ru3 122.57(10) . . ?
Cu2 Cu1 Ru3 125.01(7) 3_666 . ?
Cu2 Cu1 Ru3 125.01(7) . . ?
Br1 Cu1 Ru1 145.43(3) . . ?
Cu2 Cu1 Ru1 90.18(7) 3_666 . ?
Cu2 Cu1 Ru1 58.44(4) . . ?
Ru3 Cu1 Ru1 66.65(5) . . ?
Br1 Cu1 Ru1 145.43(3) . 4_565 ?
Cu2 Cu1 Ru1 58.44(4) 3_666 4_565 ?
Cu2 Cu1 Ru1 90.18(7) . 4_565 ?
Ru3 Cu1 Ru1 66.65(5) . 4_565 ?
Ru1 Cu1 Ru1 68.76(6) . 4_565 ?
Br1 Cu1 Cu3 53.32(8) . . ?
Cu2 Cu1 Cu3 58.41(5) 3_666 . ?
Cu2 Cu1 Cu3 58.41(5) . . ?
Ru3 Cu1 Cu3 175.89(10) . . ?
Ru1 Cu1 Cu3 116.57(7) . . ?
Ru1 Cu1 Cu3 116.57(7) 4_565 . ?
Cu2 Cu2 Ru1 96.67(4) 3_666 2_656 ?
Cu2 Cu2 Ru1 96.67(4) 3_666 . ?
Ru1 Cu2 Ru1 166.66(8) 2_656 . ?
Cu2 Cu2 Cu1 62.21(4) 3_666 . ?
Ru1 Cu2 Cu1 125.01(5) 2_656 . ?
Ru1 Cu2 Cu1 62.27(4) . . ?
Cu2 Cu2 Cu1 62.21(4) 3_666 3_666 ?
Ru1 Cu2 Cu1 62.27(4) 2_656 3_666 ?
Ru1 Cu2 Cu1 125.00(5) . 3_666 ?
Cu1 Cu2 Cu1 124.42(8) . 3_666 ?
Cu2 Cu2 Cu3 62.40(4) 3_666 3_666 ?
Ru1 Cu2 Cu3 125.70(5) 2_656 3_666 ?
Ru1 Cu2 Cu3 61.58(4) . 3_666 ?
Cu1 Cu2 Cu3 90.57(6) . 3_666 ?
Cu1 Cu2 Cu3 63.77(6) 3_666 3_666 ?
Cu2 Cu2 Cu3 62.40(4) 3_666 . ?
Ru1 Cu2 Cu3 61.58(4) 2_656 . ?
Ru1 Cu2 Cu3 125.70(5) . . ?
Cu1 Cu2 Cu3 63.77(6) . . ?
Cu1 Cu2 Cu3 90.57(6) 3_666 . ?
Cu3 Cu2 Cu3 124.80(8) 3_666 . ?
Br1 Cu3 Cu2 104.56(8) . 3_666 ?
Br1 Cu3 Cu2 104.56(8) . . ?
Cu2 Cu3 Cu2 55.20(8) 3_666 . ?
Br1 Cu3 Ru4 122.71(10) . 3_666 ?
Cu2 Cu3 Ru4 125.39(7) 3_666 3_666 ?
Cu2 Cu3 Ru4 125.39(7) . 3_666 ?
Br1 Cu3 Ru1 145.11(3) . 2_656 ?
Cu2 Cu3 Ru1 90.22(7) 3_666 2_656 ?
Cu2 Cu3 Ru1 58.48(4) . 2_656 ?
Ru4 Cu3 Ru1 67.01(5) 3_666 2_656 ?
Br1 Cu3 Ru1 145.11(3) . 3_666 ?
Cu2 Cu3 Ru1 58.48(4) 3_666 3_666 ?
Cu2 Cu3 Ru1 90.23(7) . 3_666 ?
Ru4 Cu3 Ru1 67.01(5) 3_666 3_666 ?
Ru1 Cu3 Ru1 69.30(6) 2_656 3_666 ?
Br1 Cu3 Cu1 53.41(8) . . ?
Cu2 Cu3 Cu1 57.82(5) 3_666 . ?
Cu2 Cu3 Cu1 57.82(5) . . ?
Ru4 Cu3 Cu1 176.12(10) 3_666 . ?
Ru1 Cu3 Cu1 116.01(7) 2_656 . ?
Ru1 Cu3 Cu1 116.01(7) 3_666 . ?
Cu4 Cu4 Ru9 96.96(10) 3_675 3_675 ?
Cu4 Cu4 Ru8 95.75(10) 3_675 . ?
Ru9 Cu4 Ru8 167.29(9) 3_675 . ?
Cu4 Cu4 Cu5 62.55(6) 3_675 2_655 ?
Ru9 Cu4 Cu5 61.63(5) 3_675 2_655 ?
Ru8 Cu4 Cu5 125.34(6) . 2_655 ?
Cu4 Cu4 Cu5 62.55(6) 3_675 3_675 ?
Ru9 Cu4 Cu5 61.63(5) 3_675 3_675 ?
Ru8 Cu4 Cu5 125.34(6) . 3_675 ?
Cu5 Cu4 Cu5 90.15(8) 2_655 3_675 ?
Cu4 Cu4 Cu5 61.96(6) 3_675 . ?
Ru9 Cu4 Cu5 125.81(6) 3_675 . ?
Ru8 Cu4 Cu5 61.16(5) . . ?
Cu5 Cu4 Cu5 64.49(6) 2_655 . ?
Cu5 Cu4 Cu5 124.51(7) 3_675 . ?
Cu4 Cu4 Cu5 61.97(6) 3_675 4_575 ?
Ru9 Cu4 Cu5 125.81(6) 3_675 4_575 ?
Ru8 Cu4 Cu5 61.16(5) . 4_575 ?
Cu5 Cu4 Cu5 124.51(7) 2_655 4_575 ?
Cu5 Cu4 Cu5 64.49(6) 3_675 4_575 ?
Cu5 Cu4 Cu5 89.54(8) . 4_575 ?
Br2 Cu5 Cu4 103.74(6) . 3_675 ?
Br2 Cu5 Cu4 103.31(6) . . ?
Cu4 Cu5 Cu4 55.49(7) 3_675 . ?
Br2 Cu5 Ru5 123.61(6) . . ?
Cu4 Cu5 Ru5 125.46(7) 3_675 . ?
Cu4 Cu5 Ru5 125.64(6) . . ?
Br2 Cu5 Ru8 145.16(7) . . ?
Cu4 Cu5 Ru8 90.41(5) 3_675 . ?
Cu4 Cu5 Ru8 59.03(5) . . ?
Ru5 Cu5 Ru8 66.67(4) . . ?
Br2 Cu5 Ru9 145.35(7) . . ?
Cu4 Cu5 Ru9 58.88(5) 3_675 . ?
Cu4 Cu5 Ru9 90.83(5) . . ?
Ru5 Cu5 Ru9 66.67(4) . . ?
Ru8 Cu5 Ru9 68.88(4) . . ?
Br2 Cu5 Cu5 52.39(4) . 2_655 ?
Cu4 Cu5 Cu5 58.00(5) 3_675 2_655 ?
Cu4 Cu5 Cu5 57.52(5) . 2_655 ?
Ru5 Cu5 Cu5 175.99(3) . 2_655 ?
Ru8 Cu5 Cu5 116.29(6) . 2_655 ?
Ru9 Cu5 Cu5 116.62(6) . 2_655 ?
Cu3 Br1 Cu1 73.27(9) . . ?
Cu5 Br2 Cu5 75.22(9) 2_655 . ?
O1 C1 Ru1 170.0(14) . . ?
O2 C2 Ru1 168.3(13) . . ?
O3 C3 Ru2 137.8(11) . . ?
O3 C3 Ru1 133.9(11) . . ?
Ru2 C3 Ru1 88.0(4) . . ?
O4 C4 Ru2 175.6(14) . . ?
O5 C5 Ru2 176.2(19) . . ?
O6 C6 Ru2 137.7(3) . . ?
O6 C6 Ru2 137.7(3) . 4_565 ?
Ru2 C6 Ru2 84.2(6) . 4_565 ?
O7 C7 Ru3 176(2) . . ?
O8 C8 Ru3 174.9(17) . . ?
O9 C9 Ru4 173.0(16) . . ?
O10 C10 Ru4 171(2) . . ?
O21 C21 Ru9 167.7(13) . . ?
O22 C22 Ru5 174.1(13) . . ?
O23 C23 Ru9 135.8(19) . . ?
O23 C23 Ru7 137(2) . . ?
Ru9 C23 Ru7 87.1(8) . . ?
O24 C24 Ru5 178.7(14) . . ?
O25 C25 Ru7 175.0(17) . . ?
O26 C26 Ru6 140.0(15) . . ?
O26 C26 Ru7 135.7(14) . . ?
Ru6 C26 Ru7 84.3(6) . . ?
O27 C27 Ru6 175.4(13) . . ?
O28 C28 Ru8 136.1(16) . . ?
O28 C28 Ru6 136.2(15) . . ?
Ru8 C28 Ru6 87.7(7) . . ?
O29 C29 Ru5 175.9(15) . . ?
O30 C30 Ru8 167.8(12) . . ?
C107 N1 C101 101.6(19) . . ?
C107 N1 C103 113(2) . . ?
C101 N1 C103 106(2) . . ?
C107 N1 C105 116(2) . . ?
C101 N1 C105 108(2) . . ?
C103 N1 C105 111(2) . . ?
N1 C101 C102 119(2) . . ?
N1 C101 H10A 107.6 . . ?
C102 C101 H10A 107.6 . . ?
N1 C101 H10B 107.6 . . ?
C102 C101 H10B 107.6 . . ?
H10A C101 H10B 107.1 . . ?
C101 C102 H10C 109.5 . . ?
C101 C102 H10D 109.5 . . ?
H10C C102 H10D 109.5 . . ?
C101 C102 H10E 109.5 . . ?
H10C C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
N1 C103 C104 114(2) . . ?
N1 C103 H10F 108.7 . . ?
C104 C103 H10F 108.7 . . ?
N1 C103 H10G 108.7 . . ?
C104 C103 H10G 108.7 . . ?
H10F C103 H10G 107.6 . . ?
C103 C104 H10H 109.5 . . ?
C103 C104 H10I 109.5 . . ?
H10H C104 H10I 109.5 . . ?
C103 C104 H10J 109.5 . . ?
H10H C104 H10J 109.5 . . ?
H10I C104 H10J 109.5 . . ?
C106 C105 N1 119(2) . . ?
C106 C105 H10K 107.5 . . ?
N1 C105 H10K 107.5 . . ?
C106 C105 H10L 107.5 . . ?
N1 C105 H10L 107.5 . . ?
H10K C105 H10L 107.0 . . ?
C105 C106 H10M 109.5 . . ?
C105 C106 H10N 109.5 . . ?
H10M C106 H10N 109.5 . . ?
C105 C106 H10O 109.5 . . ?
H10M C106 H10O 109.5 . . ?
H10N C106 H10O 109.5 . . ?
N1 C107 C108 102.2(19) . . ?
N1 C107 H10P 111.3 . . ?
C108 C107 H10P 111.3 . . ?
N1 C107 H10Q 111.3 . . ?
C108 C107 H10Q 111.3 . . ?
H10P C107 H10Q 109.2 . . ?
C107 C108 H10R 109.5 . . ?
C107 C108 H10S 109.5 . . ?
H10R C108 H10S 109.5 . . ?
C107 C108 H10T 109.5 . . ?
H10R C108 H10T 109.5 . . ?
H10S C108 H10T 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C2 1.888(14) . ?
Ru1 C1 1.889(14) . ?
Ru1 C3 2.047(12) . ?
Ru1 Cu2 2.6001(8) . ?
Ru1 Cu3 2.6826(18) 3_666 ?
Ru1 Cu1 2.7009(18) . ?
Ru1 Ru2 2.8394(12) . ?
Ru1 Ru3 2.9331(15) . ?
Ru1 Ru4 2.9475(13) . ?
Ru1 Ru1 3.0504(16) 4_565 ?
Ru1 H1 2.045(4) . ?
Ru2 C4 1.872(15) . ?
Ru2 C5 1.901(14) . ?
Ru2 C3 2.040(11) . ?
Ru2 C6 2.112(12) . ?
Ru2 Ru2 2.8321(18) 4_565 ?
Ru2 Ru4 2.8554(16) . ?
Ru2 Ru3 2.8565(15) . ?
Ru2 H1 2.045(4) . ?
Ru3 C7 1.840(19) . ?
Ru3 C8 1.866(17) 4_565 ?
Ru3 C8 1.866(17) . ?
Ru3 Cu1 2.637(2) . ?
Ru3 Ru2 2.8565(15) 4_565 ?
Ru3 Ru1 2.9331(15) 4_565 ?
Ru3 H1 2.056(5) . ?
Ru4 C9 1.901(16) 4_565 ?
Ru4 C9 1.901(16) . ?
Ru4 C10 1.92(2) . ?
Ru4 Cu3 2.657(2) 3_666 ?
Ru4 Ru2 2.8554(16) 4_565 ?
Ru4 Ru1 2.9475(13) 4_565 ?
Ru4 H1 2.056(5) . ?
Ru5 C22 1.868(13) . ?
Ru5 C29 1.889(15) . ?
Ru5 C24 1.892(15) . ?
Ru5 Cu5 2.6672(17) . ?
Ru5 Ru7 2.8539(13) . ?
Ru5 Ru6 2.8564(12) . ?
Ru5 Ru8 2.9414(12) . ?
Ru5 Ru9 2.9449(12) . ?
Ru5 H2 2.0537(9) . ?
Ru6 C27 1.904(15) . ?
Ru6 C27 1.904(15) 4_575 ?
Ru6 C28 2.062(19) . ?
Ru6 C26 2.091(17) . ?
Ru6 Ru8 2.8471(18) . ?
Ru6 Ru7 2.851(2) . ?
Ru6 Ru5 2.8564(12) 4_575 ?
Ru6 H2 2.051(5) . ?
Ru7 C25 1.843(16) 4_575 ?
Ru7 C25 1.843(16) . ?
Ru7 C23 2.09(2) . ?
Ru7 C26 2.157(17) . ?
Ru7 Ru9 2.8462(18) . ?
Ru7 Ru5 2.8539(13) 4_575 ?
Ru7 H2 2.047(5) . ?
Ru8 C30 1.869(13) . ?
Ru8 C30 1.869(13) 4_575 ?
Ru8 C28 2.046(18) . ?
Ru8 Cu4 2.628(2) . ?
Ru8 Cu5 2.6851(16) 4_575 ?
Ru8 Cu5 2.6851(16) . ?
Ru8 Ru5 2.9414(12) 4_575 ?
Ru8 Ru9 3.0406(17) . ?
Ru8 H2 2.047(5) . ?
Ru9 C21 1.888(12) . ?
Ru9 C21 1.889(12) 4_575 ?
Ru9 C23 2.05(2) . ?
Ru9 Cu4 2.618(2) 3_675 ?
Ru9 Cu5 2.6914(16) . ?
Ru9 Cu5 2.6914(16) 4_575 ?
Ru9 Ru5 2.9449(12) 4_575 ?
Ru9 H2 2.051(5) . ?
Cu1 Br1 2.331(3) . ?
Cu1 Cu2 2.623(2) 3_666 ?
Cu1 Cu2 2.623(2) . ?
Cu1 Ru1 2.7009(18) 4_565 ?
Cu1 Cu3 2.780(3) . ?
Cu2 Cu2 2.446(3) 3_666 ?
Cu2 Ru1 2.6001(8) 2_656 ?
Cu2 Cu1 2.623(2) 3_666 ?
Cu2 Cu3 2.6401(19) 3_666 ?
Cu2 Cu3 2.6401(19) . ?
Cu3 Br1 2.328(3) . ?
Cu3 Cu2 2.6401(19) 3_666 ?
Cu3 Ru4 2.657(2) 3_666 ?
Cu3 Ru1 2.6826(18) 2_656 ?
Cu3 Ru1 2.6826(18) 3_666 ?
Cu4 Cu4 2.460(4) 3_675 ?
Cu4 Ru9 2.618(2) 3_675 ?
Cu4 Cu5 2.6353(18) 2_655 ?
Cu4 Cu5 2.6353(18) 3_675 ?
Cu4 Cu5 2.6493(19) . ?
Cu4 Cu5 2.6494(19) 4_575 ?
Cu5 Br2 2.3101(19) . ?
Cu5 Cu4 2.6351(18) 3_675 ?
Cu5 Cu5 2.819(3) 2_655 ?
Br2 Cu5 2.3100(19) 2_655 ?
C1 O1 1.123(16) . ?
C2 O2 1.113(15) . ?
C3 O3 1.159(15) . ?
C4 O4 1.101(17) . ?
C5 O5 1.113(17) . ?
C6 O6 1.176(19) . ?
C6 Ru2 2.112(12) 4_565 ?
C7 O7 1.16(2) . ?
C8 O8 1.147(19) . ?
C9 O9 1.117(17) . ?
C10 O10 1.12(2) . ?
C21 O21 1.120(14) . ?
C22 O22 1.141(15) . ?
C23 O23 1.15(3) . ?
C24 O24 1.151(16) . ?
C25 O25 1.161(18) . ?
C26 O26 1.150(19) . ?
C27 O27 1.146(16) . ?
C28 O28 1.17(2) . ?
C29 O29 1.127(16) . ?
C30 O30 1.167(14) . ?
N1 C107 1.460(17) . ?
N1 C101 1.466(17) . ?
N1 C103 1.485(17) . ?
N1 C105 1.488(17) . ?
C101 C102 1.556(17) . ?
C101 H10A 0.9700 . ?
C101 H10B 0.9700 . ?
C102 H10C 0.9600 . ?
C102 H10D 0.9600 . ?
C102 H10E 0.9600 . ?
C103 C104 1.556(18) . ?
C103 H10F 0.9700 . ?
C103 H10G 0.9700 . ?
C104 H10H 0.9600 . ?
C104 H10I 0.9600 . ?
C104 H10J 0.9600 . ?
C105 C106 1.483(17) . ?
C105 H10K 0.9700 . ?
C105 H10L 0.9700 . ?
C106 H10M 0.9600 . ?
C106 H10N 0.9600 . ?
C106 H10O 0.9600 . ?
C107 C108 1.560(17) . ?
C107 H10P 0.9700 . ?
C107 H10Q 0.9700 . ?
C108 H10R 0.9600 . ?
C108 H10S 0.9600 . ?
C108 H10T 0.9600 . ?
