#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:11:17 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179680 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/02/7000276.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_7000276
loop_
_publ_author_name
'Cadenbach, Thomas'
'Bollermann, Timo'
'Gemel, Christian'
'Fischer, Roland A.'
_publ_section_title
;
 Synthesis and structure of electron rich ruthenium polyhydride
 complexes and clusters containing AlCp* and GaCp*
;
_journal_issue                   2
_journal_name_full               'Dalton Transactions'
_journal_page_first              322
_journal_page_last               329
_journal_paper_doi               10.1039/b807917j
_journal_year                    2009
_chemical_formula_sum            'C40 H65 Al Ru3'
_chemical_formula_weight         876.11
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                112.383(4)
_cell_angle_beta                 91.855(3)
_cell_angle_gamma                92.893(3)
_cell_formula_units_Z            4
_cell_length_a                   11.5481(4)
_cell_length_b                   18.8345(5)
_cell_length_c                   19.5558(8)
_cell_measurement_reflns_used    200
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      0
_cell_volume                     3921.8(3)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.170.32 (release 06.06.2003 CrysAlis170 VC++)
(compiled Jun 6 2003,13:53:32)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.170.32 (release 06.06.2003 CrysAlis170 VC++)
(compiled Jun 6 2003,13:53:32)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.170.32 (release 06.06.2003 CrysAlis170 VC++)
(compiled Jun 6 2003,13:53:32)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 'not measured'
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0584
_diffrn_reflns_av_sigmaI/netI    0.0785
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            75251
_diffrn_reflns_theta_full        27.58
_diffrn_reflns_theta_max         27.58
_diffrn_reflns_theta_min         2.70
_diffrn_standards_decay_%        'not measured'
_diffrn_standards_interval_count 'not measured'
_diffrn_standards_interval_time  'not measured'
_diffrn_standards_number         'not measured'
_exptl_absorpt_coefficient_mu    1.188
_exptl_absorpt_correction_T_max  0.811
_exptl_absorpt_correction_T_min  0.743
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       prism
_exptl_crystal_F_000             1800
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.918
_refine_diff_density_min         -0.606
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.883
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     878
_refine_ls_number_reflns         17983
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      0.883
_refine_ls_R_factor_all          0.0580
_refine_ls_R_factor_gt           0.0293
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0312P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0608
_refine_ls_wR_factor_ref         0.0639
_reflns_number_gt                11750
_reflns_number_total             17983
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b807917j.txt
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        3921.8(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7000276
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru2 Ru 0.23594(2) 0.943126(13) 0.279708(13) 0.01367(6) Uani 1 1 d . . .
Ru3 Ru 0.30306(2) 1.001824(13) 0.179902(13) 0.01226(6) Uani 1 1 d . . .
Ru1 Ru 0.34699(2) 1.105494(14) 0.343079(13) 0.01518(6) Uani 1 1 d . . .
Ru4 Ru 0.88333(2) 0.562938(13) 0.235982(13) 0.01380(6) Uani 1 1 d . A .
Ru5 Ru 0.79793(2) 0.414403(13) 0.182078(13) 0.01381(6) Uani 1 1 d . . .
Ru6 Ru 0.79254(2) 0.502815(14) 0.347364(13) 0.01564(6) Uani 1 1 d . . .
Al1 Al 0.45225(8) 0.99502(5) 0.27394(5) 0.0162(2) Uani 1 1 d . . .
Al2 Al 0.66675(8) 0.51787(5) 0.25310(5) 0.0167(2) Uani 1 1 d . A .
C1 C 0.1697(3) 0.90679(17) 0.36741(17) 0.0193(7) Uani 1 1 d . . .
C2 C 0.0749(3) 0.90846(17) 0.31899(18) 0.0205(7) Uani 1 1 d . . .
C3 C 0.0956(3) 0.85421(17) 0.24616(17) 0.0181(7) Uani 1 1 d . . .
C4 C 0.2005(3) 0.81925(17) 0.24995(18) 0.0201(7) Uani 1 1 d . . .
C5 C 0.2479(3) 0.85220(17) 0.32550(17) 0.0195(7) Uani 1 1 d . . .
C6 C 0.1790(3) 0.94910(19) 0.44971(17) 0.0287(8) Uani 1 1 d . . .
H6A H 0.1409 0.9174 0.4734 0.043 Uiso 1 1 calc R . .
H6B H 0.1411 0.9976 0.4628 0.043 Uiso 1 1 calc R . .
H6C H 0.2611 0.9600 0.4669 0.043 Uiso 1 1 calc R . .
C7 C -0.0335(3) 0.94919(19) 0.3415(2) 0.0283(8) Uani 1 1 d . . .
H7A H -0.0888 0.9171 0.3561 0.042 Uiso 1 1 calc R . .
H7B H -0.0678 0.9591 0.2997 0.042 Uiso 1 1 calc R . .
H7C H -0.0150 0.9982 0.3833 0.042 Uiso 1 1 calc R . .
C8 C 0.0125(3) 0.83171(19) 0.17937(18) 0.0290(8) Uani 1 1 d . . .
H8A H -0.0420 0.7896 0.1783 0.044 Uiso 1 1 calc R . .
H8B H 0.0560 0.8148 0.1343 0.044 Uiso 1 1 calc R . .
H8C H -0.0307 0.8761 0.1820 0.044 Uiso 1 1 calc R . .
C9 C 0.2437(3) 0.75369(17) 0.18711(19) 0.0302(9) Uani 1 1 d . . .
H9A H 0.2120 0.7050 0.1884 0.045 Uiso 1 1 calc R . .
H9B H 0.3287 0.7560 0.1916 0.045 Uiso 1 1 calc R . .
H9C H 0.2187 0.7571 0.1401 0.045 Uiso 1 1 calc R . .
C10 C 0.3482(3) 0.8257(2) 0.3576(2) 0.0300(8) Uani 1 1 d . . .
H10A H 0.3209 0.7839 0.3726 0.045 Uiso 1 1 calc R . .
H10B H 0.3833 0.8687 0.4009 0.045 Uiso 1 1 calc R . .
H10C H 0.4060 0.8071 0.3204 0.045 Uiso 1 1 calc R . .
C11 C 0.2342(3) 0.94771(17) 0.06549(16) 0.0160(7) Uani 1 1 d . . .
C12 C 0.2207(3) 1.02911(17) 0.08918(16) 0.0172(7) Uani 1 1 d . . .
C13 C 0.3333(3) 1.06773(17) 0.10716(16) 0.0166(7) Uani 1 1 d . . .
C14 C 0.4176(3) 1.01157(17) 0.09587(16) 0.0164(7) Uani 1 1 d . . .
C15 C 0.3560(3) 0.93754(17) 0.06978(16) 0.0167(7) Uani 1 1 d . . .
C16 C 0.1409(3) 0.88517(18) 0.02941(18) 0.0268(8) Uani 1 1 d . . .
H16A H 0.1325 0.8751 -0.0236 0.040 Uiso 1 1 calc R . .
H16B H 0.0673 0.9012 0.0522 0.040 Uiso 1 1 calc R . .
H16C H 0.1617 0.8382 0.0359 0.040 Uiso 1 1 calc R . .
C17 C 0.1097(3) 1.06528(19) 0.08693(18) 0.0261(8) Uani 1 1 d . . .
H17A H 0.0978 1.0694 0.0388 0.039 Uiso 1 1 calc R . .
H17B H 0.1131 1.1167 0.1264 0.039 Uiso 1 1 calc R . .
H17C H 0.0452 1.0335 0.0942 0.039 Uiso 1 1 calc R . .
C18 C 0.3600(3) 1.15153(17) 0.12629(18) 0.0267(8) Uani 1 1 d . . .
H18A H 0.3692 1.1610 0.0808 0.040 Uiso 1 1 calc R . .
H18B H 0.4321 1.1684 0.1575 0.040 Uiso 1 1 calc R . .
H18C H 0.2963 1.1803 0.1532 0.040 Uiso 1 1 calc R . .
C19 C 0.5469(3) 1.02799(19) 0.10109(18) 0.0247(8) Uani 1 1 d . . .
H19A H 0.5720 1.0290 0.0541 0.037 Uiso 1 1 calc R . .
H19B H 0.5851 0.9877 0.1116 0.037 Uiso 1 1 calc R . .
H19C H 0.5678 1.0780 0.1410 0.037 Uiso 1 1 calc R . .
C20 C 0.4105(3) 0.86151(17) 0.04232(17) 0.0246(8) Uani 1 1 d . . .
H20A H 0.4251 0.8464 -0.0103 0.037 Uiso 1 1 calc R . .
H20B H 0.3578 0.8223 0.0487 0.037 Uiso 1 1 calc R . .
H20C H 0.4840 0.8663 0.0706 0.037 Uiso 1 1 calc R . .
C21 C 0.3534(3) 1.22924(17) 0.36556(17) 0.0211(7) Uani 1 1 d . . .
C22 C 0.2335(3) 1.20028(17) 0.35192(18) 0.0226(7) Uani 1 1 d . . .
C23 C 0.2044(3) 1.17073(17) 0.40684(17) 0.0215(7) Uani 1 1 d . . .
C24 C 0.3052(3) 1.18082(17) 0.45519(17) 0.0207(7) Uani 1 1 d . . .
C25 C 0.3970(3) 1.21737(17) 0.42921(17) 0.0203(7) Uani 1 1 d . . .
C26 C 0.4175(3) 1.27279(18) 0.32689(19) 0.0302(8) Uani 1 1 d . . .
H26A H 0.4030 1.3275 0.3499 0.045 Uiso 1 1 calc R . .
H26B H 0.3906 1.2527 0.2745 0.045 Uiso 1 1 calc R . .
H26C H 0.5009 1.2667 0.3309 0.045 Uiso 1 1 calc R . .
C27 C 0.1504(3) 1.20512(19) 0.29363(19) 0.0289(8) Uani 1 1 d . . .
H27A H 0.1124 1.2536 0.3134 0.043 Uiso 1 1 calc R . .
H27B H 0.0917 1.1618 0.2789 0.043 Uiso 1 1 calc R . .
H27C H 0.1929 1.2031 0.2504 0.043 Uiso 1 1 calc R . .
C28 C 0.0852(3) 1.14220(19) 0.4167(2) 0.0326(9) Uani 1 1 d . . .
H28A H 0.0431 1.1856 0.4482 0.049 Uiso 1 1 calc R . .
H28B H 0.0913 1.1047 0.4401 0.049 Uiso 1 1 calc R . .
H28C H 0.0433 1.1176 0.3682 0.049 Uiso 1 1 calc R . .
C29 C 0.3117(3) 1.1663(2) 0.52508(18) 0.0309(8) Uani 1 1 d . . .
H29A H 0.2872 1.2113 0.5660 0.046 Uiso 1 1 calc R . .
H29B H 0.3917 1.1570 0.5358 0.046 Uiso 1 1 calc R . .
H29C H 0.2603 1.1211 0.5193 0.046 Uiso 1 1 calc R . .
C30 C 0.5152(3) 1.24505(19) 0.46763(18) 0.0302(8) Uani 1 1 d . . .
H30A H 0.5129 1.2978 0.5040 0.045 Uiso 1 1 calc R . .
H30B H 0.5718 1.2440 0.4310 0.045 Uiso 1 1 calc R . .
H30C H 0.5380 1.2114 0.4929 0.045 Uiso 1 1 calc R . .
C31 C 0.6113(3) 0.95387(18) 0.27548(17) 0.0202(7) Uani 1 1 d . . .
C32 C 0.6227(3) 0.88634(18) 0.20547(18) 0.0216(7) Uani 1 1 d . . .
C33 C 0.7021(3) 0.9036(2) 0.16421(19) 0.0268(8) Uani 1 1 d . . .
C34 C 0.7502(3) 0.9821(2) 0.20504(19) 0.0261(8) Uani 1 1 d . . .
C35 C 0.6997(3) 1.01218(19) 0.27066(19) 0.0247(8) Uani 1 1 d . . .
C36 C 0.6210(3) 0.9397(2) 0.34767(19) 0.0287(8) Uani 1 1 d . . .
H36A H 0.6965 0.9197 0.3520 0.043 Uiso 1 1 calc R . .
H36B H 0.5587 0.9022 0.3472 0.043 Uiso 1 1 calc R . .
H36C H 0.6141 0.9882 0.3899 0.043 Uiso 1 1 calc R . .
C37 C 0.5508(3) 0.81210(18) 0.1862(2) 0.0302(8) Uani 1 1 d . . .
H37A H 0.5709 0.7755 0.1378 0.045 Uiso 1 1 calc R . .
H37B H 0.4683 0.8216 0.1843 0.045 Uiso 1 1 calc R . .
H37C H 0.5661 0.7908 0.2239 0.045 Uiso 1 1 calc R . .
C38 C 0.7368(3) 0.8549(2) 0.08791(19) 0.0381(9) Uani 1 1 d . . .
H38A H 0.6939 0.8044 0.0709 0.057 Uiso 1 1 calc R . .
H38B H 0.8203 0.8484 0.0893 0.057 Uiso 1 1 calc R . .
H38C H 0.7186 0.8803 0.0538 0.057 Uiso 1 1 calc R . .
C39 C 0.8424(3) 1.0219(2) 0.1759(2) 0.0411(10) Uani 1 1 d . . .
H39A H 0.8617 1.0741 0.2125 0.062 Uiso 1 1 calc R . .
H39B H 0.8128 1.0245 0.1294 0.062 Uiso 1 1 calc R . .
H39C H 0.9121 0.9928 0.1670 0.062 Uiso 1 1 calc R . .
C40 C 0.7305(3) 1.0890(2) 0.3319(2) 0.0380(10) Uani 1 1 d . . .
H40A H 0.7904 1.1172 0.3161 0.057 Uiso 1 1 calc R . .
H40B H 0.7599 1.0813 0.3760 0.057 Uiso 1 1 calc R . .
H40C H 0.6612 1.1185 0.3435 0.057 Uiso 1 1 calc R . .
C41 C 0.5067(3) 0.55420(17) 0.24478(17) 0.0187(7) Uani 1 1 d . . .
C42 C 0.4256(3) 0.50279(17) 0.26587(17) 0.0190(7) Uani 1 1 d . A .
C43 C 0.3619(3) 0.45559(17) 0.20476(18) 0.0201(7) Uani 1 1 d . . .
C44 C 0.3913(3) 0.47563(18) 0.14199(17) 0.0202(7) Uani 1 1 d . A .
C45 C 0.4729(3) 0.53563(17) 0.16592(17) 0.0184(7) Uani 1 1 d . A .
C46 C 0.5117(3) 0.64005(17) 0.29673(19) 0.0258(8) Uani 1 1 d . A .
H46A H 0.4359 0.6605 0.2945 0.039 Uiso 1 1 calc R . .
H46B H 0.5710 0.6688 0.2810 0.039 Uiso 1 1 calc R . .
H46C H 0.5315 0.6453 0.3476 0.039 Uiso 1 1 calc R . .
C47 C 0.4135(3) 0.5080(2) 0.34351(18) 0.0291(8) Uani 1 1 d . . .
H47A H 0.3555 0.4683 0.3437 0.044 Uiso 1 1 calc R A .
H47B H 0.3885 0.5589 0.3740 0.044 Uiso 1 1 calc R . .
H47C H 0.4884 0.5004 0.3638 0.044 Uiso 1 1 calc R . .
C48 C 0.2717(3) 0.39340(18) 0.1997(2) 0.0300(8) Uani 1 1 d . A .
H48A H 0.2668 0.3898 0.2482 0.045 Uiso 1 1 calc R . .
H48B H 0.2931 0.3441 0.1633 0.045 Uiso 1 1 calc R . .
H48C H 0.1962 0.4056 0.1843 0.045 Uiso 1 1 calc R . .
C49 C 0.3393(3) 0.43375(19) 0.06476(18) 0.0288(8) Uani 1 1 d . . .
H49A H 0.3716 0.4573 0.0320 0.043 Uiso 1 1 calc R A .
H49B H 0.2549 0.4369 0.0647 0.043 Uiso 1 1 calc R . .
H49C H 0.3575 0.3796 0.0471 0.043 Uiso 1 1 calc R . .
C50 C 0.5251(3) 0.5768(2) 0.12069(19) 0.0300(8) Uani 1 1 d . . .
H50A H 0.4898 0.5546 0.0701 0.045 Uiso 1 1 calc R A .
H50B H 0.6090 0.5713 0.1194 0.045 Uiso 1 1 calc R . .
H50C H 0.5105 0.6315 0.1431 0.045 Uiso 1 1 calc R . .
C51 C 0.8795(3) 0.67918(16) 0.23514(17) 0.0174(7) Uani 1 1 d . . .
C52 C 0.9097(3) 0.62597(16) 0.16401(17) 0.0167(7) Uani 1 1 d . A .
C53 C 1.0159(2) 0.59460(16) 0.17508(17) 0.0165(7) Uani 1 1 d . . .
C54 C 1.0515(3) 0.62941(17) 0.25286(17) 0.0179(7) Uani 1 1 d . A .
C55 C 0.9679(3) 0.68264(17) 0.28899(16) 0.0171(7) Uani 1 1 d . A .
C56 C 0.7817(3) 0.73231(18) 0.24875(19) 0.0238(8) Uani 1 1 d . A .
H56A H 0.8091 0.7801 0.2438 0.036 Uiso 1 1 calc R . .
H56B H 0.7555 0.7440 0.2988 0.036 Uiso 1 1 calc R . .
H56C H 0.7169 0.7073 0.2125 0.036 Uiso 1 1 calc R . .
C57 C 0.8482(3) 0.61207(19) 0.09132(17) 0.0244(8) Uani 1 1 d . . .
H57A H 0.8786 0.6498 0.0720 0.037 Uiso 1 1 calc R A .
H57B H 0.7649 0.6172 0.0980 0.037 Uiso 1 1 calc R . .
H57C H 0.8608 0.5601 0.0562 0.037 Uiso 1 1 calc R . .
C58 C 1.0864(3) 0.54190(18) 0.11617(19) 0.0280(8) Uani 1 1 d . A .
H58A H 1.1394 0.5725 0.0983 0.042 Uiso 1 1 calc R . .
H58B H 1.0344 0.5076 0.0750 0.042 Uiso 1 1 calc R . .
H58C H 1.1314 0.5112 0.1368 0.042 Uiso 1 1 calc R . .
C59 C 1.1659(3) 0.61934(19) 0.2846(2) 0.0290(8) Uani 1 1 d . . .
H59A H 1.2231 0.6594 0.2842 0.044 Uiso 1 1 calc R A .
H59B H 1.1919 0.5686 0.2549 0.044 Uiso 1 1 calc R . .
H59C H 1.1576 0.6235 0.3357 0.044 Uiso 1 1 calc R . .
C60 C 0.9767(3) 0.73769(17) 0.36746(17) 0.0267(8) Uani 1 1 d . . .
H60A H 1.0206 0.7851 0.3714 0.040 Uiso 1 1 calc R A .
H60B H 1.0165 0.7146 0.3981 0.040 Uiso 1 1 calc R . .
H60C H 0.8986 0.7497 0.3847 0.040 Uiso 1 1 calc R . .
C61 C 0.6708(3) 0.31982(16) 0.11704(17) 0.0191(7) Uani 1 1 d . . .
C62 C 0.7537(3) 0.28773(17) 0.14965(17) 0.0204(7) Uani 1 1 d . . .
C63 C 0.8658(3) 0.30020(16) 0.12548(17) 0.0177(7) Uani 1 1 d . . .
C64 C 0.8508(3) 0.33808(16) 0.07467(16) 0.0183(7) Uani 1 1 d . . .
C65 C 0.7298(3) 0.35044(17) 0.06970(17) 0.0187(7) Uani 1 1 d . . .
C66 C 0.5420(3) 0.31400(18) 0.1238(2) 0.0279(8) Uani 1 1 d . . .
H66A H 0.5089 0.2647 0.0873 0.042 Uiso 1 1 calc R . .
H66B H 0.5073 0.3563 0.1148 0.042 Uiso 1 1 calc R . .
H66C H 0.5259 0.3173 0.1738 0.042 Uiso 1 1 calc R . .
C67 C 0.7259(3) 0.24202(19) 0.1957(2) 0.0356(9) Uani 1 1 d . . .
H67A H 0.7102 0.1877 0.1634 0.053 Uiso 1 1 calc R . .
H67B H 0.6573 0.2611 0.2235 0.053 Uiso 1 1 calc R . .
H67C H 0.7920 0.2473 0.2303 0.053 Uiso 1 1 calc R . .
C68 C 0.9778(3) 0.27271(18) 0.14333(19) 0.0284(8) Uani 1 1 d . . .
H68A H 0.9853 0.2197 0.1088 0.043 Uiso 1 1 calc R . .
H68B H 0.9787 0.2746 0.1941 0.043 Uiso 1 1 calc R . .
H68C H 1.0428 0.3059 0.1387 0.043 Uiso 1 1 calc R . .
C69 C 0.9420(3) 0.35056(19) 0.02679(19) 0.0299(8) Uani 1 1 d . . .
H69A H 0.9436 0.3042 -0.0185 0.045 Uiso 1 1 calc R . .
H69B H 1.0180 0.3612 0.0538 0.045 Uiso 1 1 calc R . .
H69C H 0.9240 0.3943 0.0138 0.045 Uiso 1 1 calc R . .
C70 C 0.6723(3) 0.38317(19) 0.01985(18) 0.0300(8) Uani 1 1 d . . .
H70A H 0.6496 0.3417 -0.0280 0.045 Uiso 1 1 calc R . .
H70B H 0.7265 0.4209 0.0123 0.045 Uiso 1 1 calc R . .
H70C H 0.6032 0.4084 0.0425 0.045 Uiso 1 1 calc R . .
C71 C 0.9070(3) 0.44202(17) 0.39459(17) 0.0162(19) Uani 0.487(4) 1 d PGU A 1
C72 C 0.7935(3) 0.44256(19) 0.42070(19) 0.016(2) Uani 0.487(4) 1 d PG A 1
C73 C 0.7702(3) 0.52031(19) 0.46162(17) 0.019(2) Uani 0.487(4) 1 d PGU A 1
C74 C 0.8692(3) 0.56783(16) 0.46080(16) 0.0157(17) Uani 0.487(4) 1 d PG A 1
C75 C 0.9538(2) 0.51945(16) 0.41937(16) 0.0137(18) Uani 0.487(4) 1 d PGU A 1
C76 C 0.9672(4) 0.3715(2) 0.3486(3) 0.042(2) Uani 0.487(4) 1 d PG A 1
H76A H 1.0139 0.3542 0.3812 0.062 Uiso 0.487(4) 1 calc PR A 1
H76B H 1.0178 0.3842 0.3150 0.062 Uiso 0.487(4) 1 calc PR A 1
H76C H 0.9090 0.3304 0.3196 0.062 Uiso 0.487(4) 1 calc PR A 1
C77 C 0.7120(4) 0.3727(3) 0.4073(3) 0.059(3) Uani 0.487(4) 1 d PG A 1
H77A H 0.7259 0.3534 0.4466 0.089 Uiso 0.487(4) 1 calc PR A 1
H77B H 0.7256 0.3326 0.3593 0.089 Uiso 0.487(4) 1 calc PR A 1
H77C H 0.6315 0.3870 0.4074 0.089 Uiso 0.487(4) 1 calc PR A 1
C78 C 0.6595(4) 0.5477(3) 0.4994(3) 0.051(3) Uani 0.487(4) 1 d PG A 1
H78A H 0.6672 0.5519 0.5509 0.077 Uiso 0.487(4) 1 calc PR A 1
H78B H 0.5944 0.5107 0.4734 0.077 Uiso 0.487(4) 1 calc PR A 1
H78C H 0.6451 0.5981 0.4984 0.077 Uiso 0.487(4) 1 calc PR A 1
C79 C 0.8823(4) 0.6546(2) 0.4975(2) 0.045(2) Uani 0.487(4) 1 d PG A 1
H79A H 0.9188 0.6697 0.5474 0.067 Uiso 0.487(4) 1 calc PR A 1
H79B H 0.8057 0.6753 0.5008 0.067 Uiso 0.487(4) 1 calc PR A 1
H79C H 0.9311 0.6750 0.4682 0.067 Uiso 0.487(4) 1 calc PR A 1
C80 C 1.0725(3) 0.5457(3) 0.4043(2) 0.034(2) Uani 0.487(4) 1 d PG A 1
H80A H 1.1285 0.5483 0.4441 0.051 Uiso 0.487(4) 1 calc PR A 1
H80B H 1.0697 0.5967 0.4022 0.051 Uiso 0.487(4) 1 calc PR A 1
H80C H 1.0965 0.5091 0.3569 0.051 Uiso 0.487(4) 1 calc PR A 1
C711 C 0.8553(3) 0.41882(15) 0.39834(15) 0.0185(15) Uani 0.513(4) 1 d PG A 2
C721 C 0.7675(2) 0.46253(16) 0.44105(15) 0.0168(19) Uani 0.513(4) 1 d PG A 2
C731 C 0.8078(3) 0.54146(16) 0.46893(15) 0.0159(15) Uani 0.513(4) 1 d PG A 2
C741 C 0.9207(2) 0.54656(16) 0.44343(16) 0.0167(16) Uani 0.513(4) 1 d PG A 2
C751 C 0.9500(2) 0.47076(16) 0.39977(15) 0.0185(15) Uani 0.513(4) 1 d PG A 2
C761 C 0.8492(4) 0.3323(2) 0.3583(2) 0.041(2) Uani 0.513(4) 1 d PG A 2
H76D H 0.8811 0.3090 0.3913 0.061 Uiso 0.513(4) 1 calc PR A 2
H76E H 0.8945 0.3189 0.3141 0.061 Uiso 0.513(4) 1 calc PR A 2
H76F H 0.7681 0.3130 0.3436 0.061 Uiso 0.513(4) 1 calc PR A 2
C771 C 0.6515(4) 0.4307(2) 0.4545(2) 0.040(2) Uani 0.513(4) 1 d PG A 2
H77D H 0.6598 0.4167 0.4978 0.061 Uiso 0.513(4) 1 calc PR A 2
H77E H 0.6249 0.3849 0.4109 0.061 Uiso 0.513(4) 1 calc PR A 2
H77F H 0.5947 0.4697 0.4636 0.061 Uiso 0.513(4) 1 calc PR A 2
C781 C 0.7423(4) 0.6083(2) 0.5172(2) 0.039(2) Uani 0.513(4) 1 d PG A 2
H78D H 0.7593 0.6174 0.5694 0.058 Uiso 0.513(4) 1 calc PR A 2
H78E H 0.6587 0.5962 0.5053 0.058 Uiso 0.513(4) 1 calc PR A 2
H78F H 0.7663 0.6545 0.5083 0.058 Uiso 0.513(4) 1 calc PR A 2
C791 C 0.9961(4) 0.6197(2) 0.4598(2) 0.044(2) Uani 0.513(4) 1 d PG A 2
H79D H 1.0469 0.6298 0.5041 0.066 Uiso 0.513(4) 1 calc PR A 2
H79E H 0.9467 0.6628 0.4684 0.066 Uiso 0.513(4) 1 calc PR A 2
H79F H 1.0435 0.6140 0.4176 0.066 Uiso 0.513(4) 1 calc PR A 2
C801 C 1.0622(3) 0.4492(3) 0.3616(2) 0.043(2) Uani 0.513(4) 1 d PG A 2
H80D H 1.1177 0.4377 0.3944 0.064 Uiso 0.513(4) 1 calc PR A 2
H80E H 1.0947 0.4921 0.3501 0.064 Uiso 0.513(4) 1 calc PR A 2
H80F H 1.0469 0.4037 0.3157 0.064 Uiso 0.513(4) 1 calc PR A 2
H85 H 0.795(3) 0.5016(19) 0.170(2) 0.052(11) Uiso 1 1 d . . .
H81 H 0.823(4) 0.581(2) 0.325(2) 0.082(15) Uiso 1 1 d . . .
H82 H 0.932(3) 0.4699(17) 0.2252(17) 0.031(9) Uiso 1 1 d . . .
H83 H 0.658(3) 0.527(2) 0.347(2) 0.063(12) Uiso 1 1 d . . .
H5 H 0.295(4) 1.020(2) 0.351(2) 0.075(14) Uiso 1 1 d . . .
H4 H 0.181(3) 1.0032(18) 0.2355(18) 0.039(10) Uiso 1 1 d . . .
H2 H 0.361(3) 1.085(2) 0.254(2) 0.066(13) Uiso 1 1 d . . .
H3 H 0.316(3) 0.9138(19) 0.201(2) 0.049(11) Uiso 1 1 d . . .
H1 H 0.476(3) 1.084(2) 0.349(2) 0.053(11) Uiso 1 1 d . . .
H84 H 0.752(3) 0.4413(18) 0.2852(18) 0.040(10) Uiso 1 1 d . . .
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'
Al Al 0.0645 0.0514 '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
C3 Ru2 C4 38.07(11) . . ?
C3 Ru2 C2 38.50(11) . . ?
C4 Ru2 C2 63.91(11) . . ?
C3 Ru2 C1 63.57(11) . . ?
C4 Ru2 C1 63.26(11) . . ?
C2 Ru2 C1 37.90(11) . . ?
C3 Ru2 C5 63.80(12) . . ?
C4 Ru2 C5 38.16(11) . . ?
C2 Ru2 C5 63.64(12) . . ?
C1 Ru2 C5 37.55(11) . . ?
C3 Ru2 Al1 152.49(9) . . ?
C4 Ru2 Al1 118.28(9) . . ?
C2 Ru2 Al1 162.84(9) . . ?
C1 Ru2 Al1 125.90(8) . . ?
C5 Ru2 Al1 106.74(8) . . ?
C3 Ru2 Ru3 117.82(8) . . ?
C4 Ru2 Ru3 122.13(8) . . ?
C2 Ru2 Ru3 139.04(9) . . ?
C1 Ru2 Ru3 173.48(8) . . ?
C5 Ru2 Ru3 148.95(8) . . ?
Al1 Ru2 Ru3 56.18(2) . . ?
C3 Ru2 Ru1 156.64(8) . . ?
C4 Ru2 Ru1 163.24(9) . . ?
C2 Ru2 Ru1 123.26(8) . . ?
C1 Ru2 Ru1 111.88(8) . . ?
C5 Ru2 Ru1 128.01(8) . . ?
Al1 Ru2 Ru1 49.89(2) . . ?
Ru3 Ru2 Ru1 64.102(9) . . ?
C3 Ru2 H5 144.0(14) . . ?
C4 Ru2 H5 139.1(14) . . ?
C2 Ru2 H5 105.8(14) . . ?
C1 Ru2 H5 84.4(14) . . ?
C5 Ru2 H5 101.0(14) . . ?
Al1 Ru2 H5 60.7(14) . . ?
Ru3 Ru2 H5 92.2(14) . . ?
Ru1 Ru2 H5 28.6(14) . . ?
C3 Ru2 H4 98.6(10) . . ?
C4 Ru2 H4 128.9(10) . . ?
C2 Ru2 H4 100.4(11) . . ?
C1 Ru2 H4 132.7(11) . . ?
C5 Ru2 H4 162.0(10) . . ?
Al1 Ru2 H4 90.8(10) . . ?
Ru3 Ru2 H4 41.6(11) . . ?
Ru1 Ru2 H4 66.9(10) . . ?
H5 Ru2 H4 91.1(17) . . ?
C3 Ru2 H3 101.0(11) . . ?
C4 Ru2 H3 83.7(11) . . ?
C2 Ru2 H3 139.5(11) . . ?
C1 Ru2 H3 143.0(11) . . ?
C5 Ru2 H3 105.7(11) . . ?
Al1 Ru2 H3 54.9(11) . . ?
Ru3 Ru2 H3 43.5(11) . . ?
Ru1 Ru2 H3 94.8(11) . . ?
H5 Ru2 H3 114.7(18) . . ?
H4 Ru2 H3 80.7(16) . . ?
C15 Ru3 C11 38.62(11) . . ?
C15 Ru3 C14 38.34(11) . . ?
C11 Ru3 C14 64.19(11) . . ?
C15 Ru3 C12 63.85(11) . . ?
C11 Ru3 C12 38.20(11) . . ?
C14 Ru3 C12 63.31(11) . . ?
C15 Ru3 C13 63.29(11) . . ?
C11 Ru3 C13 63.19(10) . . ?
C14 Ru3 C13 37.68(11) . . ?
C12 Ru3 C13 37.16(10) . . ?
C15 Ru3 Al1 109.50(8) . . ?
C11 Ru3 Al1 144.89(8) . . ?
C14 Ru3 Al1 100.07(8) . . ?
C12 Ru3 Al1 161.06(8) . . ?
C13 Ru3 Al1 123.98(8) . . ?
C15 Ru3 Ru2 126.35(8) . . ?
C11 Ru3 Ru2 119.53(8) . . ?
C14 Ru3 Ru2 153.46(8) . . ?
C12 Ru3 Ru2 137.66(8) . . ?
C13 Ru3 Ru2 168.70(8) . . ?
Al1 Ru3 Ru2 61.07(2) . . ?
C15 Ru3 Ru1 153.97(8) . . ?
C11 Ru3 Ru1 164.71(8) . . ?
C14 Ru3 Ru1 121.07(8) . . ?
C12 Ru3 Ru1 128.64(8) . . ?
C13 Ru3 Ru1 111.17(7) . . ?
Al1 Ru3 Ru1 50.38(2) . . ?
Ru2 Ru3 Ru1 63.131(9) . . ?
C15 Ru3 H4 138.6(10) . . ?
C11 Ru3 H4 105.3(10) . . ?
C14 Ru3 H4 164.3(11) . . ?
C12 Ru3 H4 101.1(11) . . ?
C13 Ru3 H4 128.1(10) . . ?
Al1 Ru3 H4 94.9(11) . . ?
Ru2 Ru3 H4 41.2(10) . . ?
Ru1 Ru3 H4 66.1(10) . . ?
C15 Ru3 H2 134.1(13) . . ?
C11 Ru3 H2 149.1(13) . . ?
C14 Ru3 H2 96.9(13) . . ?
C12 Ru3 H2 112.3(13) . . ?
C13 Ru3 H2 86.7(13) . . ?
Al1 Ru3 H2 58.3(13) . . ?
Ru2 Ru3 H2 88.6(13) . . ?
Ru1 Ru3 H2 25.7(13) . . ?
H4 Ru3 H2 87.1(16) . . ?
C15 Ru3 H3 88.7(11) . . ?
C11 Ru3 H3 99.3(11) . . ?
C14 Ru3 H3 115.4(11) . . ?
C12 Ru3 H3 136.3(11) . . ?
C13 Ru3 H3 151.3(11) . . ?
Al1 Ru3 H3 57.4(11) . . ?
Ru2 Ru3 H3 39.6(11) . . ?
Ru1 Ru3 H3 91.1(11) . . ?
H4 Ru3 H3 76.7(15) . . ?
H2 Ru3 H3 111.2(17) . . ?
C25 Ru1 C24 38.58(11) . . ?
C25 Ru1 C21 38.11(11) . . ?
C24 Ru1 C21 64.14(12) . . ?
C25 Ru1 C23 63.53(12) . . ?
C24 Ru1 C23 37.86(11) . . ?
C21 Ru1 C23 63.41(12) . . ?
C25 Ru1 C22 63.36(12) . . ?
C24 Ru1 C22 63.32(12) . . ?
C21 Ru1 C22 37.99(12) . . ?
C23 Ru1 C22 37.41(12) . . ?
C25 Ru1 Al1 133.95(9) . . ?
C24 Ru1 Al1 143.67(9) . . ?
C21 Ru1 Al1 138.06(9) . . ?
C23 Ru1 Al1 158.10(8) . . ?
C22 Ru1 Al1 153.00(9) . . ?
C25 Ru1 Ru2 155.87(8) . . ?
C24 Ru1 Ru2 118.08(8) . . ?
C21 Ru1 Ru2 153.93(9) . . ?
C23 Ru1 Ru2 101.56(8) . . ?
C22 Ru1 Ru2 117.26(8) . . ?
Al1 Ru1 Ru2 57.15(2) . . ?
C25 Ru1 Ru3 150.55(8) . . ?
C24 Ru1 Ru3 157.63(9) . . ?
C21 Ru1 Ru3 114.22(8) . . ?
C23 Ru1 Ru3 120.10(8) . . ?
C22 Ru1 Ru3 100.97(8) . . ?
Al1 Ru1 Ru3 53.43(2) . . ?
Ru2 Ru1 Ru3 52.767(8) . . ?
C25 Ru1 H5 129.9(14) . . ?
C24 Ru1 H5 95.4(14) . . ?
C21 Ru1 H5 155.7(14) . . ?
C23 Ru1 H5 92.5(14) . . ?
C22 Ru1 H5 122.5(14) . . ?
Al1 Ru1 H5 66.2(14) . . ?
Ru2 Ru1 H5 27.1(14) . . ?
Ru3 Ru1 H5 79.4(14) . . ?
C25 Ru1 H2 124.0(13) . . ?
C24 Ru1 H2 153.7(13) . . ?
C21 Ru1 H2 91.2(13) . . ?
C23 Ru1 H2 124.1(14) . . ?
C22 Ru1 H2 91.8(14) . . ?
Al1 Ru1 H2 61.6(13) . . ?
Ru2 Ru1 H2 79.8(13) . . ?
Ru3 Ru1 H2 27.3(13) . . ?
H5 Ru1 H2 106.0(19) . . ?
C25 Ru1 H1 87.7(13) . . ?
C24 Ru1 H1 106.5(13) . . ?
C21 Ru1 H1 107.1(12) . . ?
C23 Ru1 H1 144.3(13) . . ?
C22 Ru1 H1 145.1(12) . . ?
Al1 Ru1 H1 46.5(13) . . ?
Ru2 Ru1 H1 97.2(12) . . ?
Ru3 Ru1 H1 95.4(13) . . ?
H5 Ru1 H1 90.5(18) . . ?
H2 Ru1 H1 88.9(19) . . ?
C53 Ru4 C52 38.53(11) . . ?
C53 Ru4 C51 64.01(11) . . ?
C52 Ru4 C51 38.34(11) . . ?
C53 Ru4 C54 38.61(11) . . ?
C52 Ru4 C54 64.24(11) . . ?
C51 Ru4 C54 63.34(11) . . ?
C53 Ru4 C55 63.41(11) . . ?
C52 Ru4 C55 63.34(11) . . ?
C51 Ru4 C55 37.36(11) . . ?
C54 Ru4 C55 37.44(11) . . ?
C53 Ru4 Al2 153.27(9) . . ?
C52 Ru4 Al2 118.76(8) . . ?
C51 Ru4 Al2 107.47(8) . . ?
C54 Ru4 Al2 162.63(8) . . ?
C55 Ru4 Al2 126.41(8) . . ?
C53 Ru4 Ru5 117.37(8) . . ?
C52 Ru4 Ru5 121.65(8) . . ?
C51 Ru4 Ru5 149.08(8) . . ?
C54 Ru4 Ru5 139.04(8) . . ?
C55 Ru4 Ru5 173.56(8) . . ?
Al2 Ru4 Ru5 56.09(2) . . ?
C53 Ru4 Ru6 155.34(8) . . ?
C52 Ru4 Ru6 164.51(8) . . ?
C51 Ru4 Ru6 129.20(8) . . ?
C54 Ru4 Ru6 122.75(8) . . ?
C55 Ru4 Ru6 112.67(8) . . ?
Al2 Ru4 Ru6 50.03(2) . . ?
Ru5 Ru4 Ru6 63.711(9) . . ?
C53 Ru4 H85 102.9(12) . . ?
C52 Ru4 H85 87.6(12) . . ?
C51 Ru4 H85 110.8(12) . . ?
C54 Ru4 H85 141.2(12) . . ?
C55 Ru4 H85 147.8(12) . . ?
Al2 Ru4 H85 54.6(12) . . ?
Ru5 Ru4 H85 38.5(12) . . ?
Ru6 Ru4 H85 91.5(12) . . ?
C53 Ru4 H81 147.0(13) . . ?
C52 Ru4 H81 136.6(13) . . ?
C51 Ru4 H81 98.8(13) . . ?
C54 Ru4 H81 109.0(13) . . ?
C55 Ru4 H81 85.6(13) . . ?
Al2 Ru4 H81 56.1(13) . . ?
Ru5 Ru4 H81 92.1(13) . . ?
Ru6 Ru4 H81 30.7(13) . . ?
H85 Ru4 H81 109.7(18) . . ?
C53 Ru4 H82 97.7(10) . . ?
C52 Ru4 H82 128.2(10) . . ?
C51 Ru4 H82 161.2(10) . . ?
C54 Ru4 H82 100.1(10) . . ?
C55 Ru4 H82 132.4(10) . . ?
Al2 Ru4 H82 90.8(10) . . ?
Ru5 Ru4 H82 41.8(10) . . ?
Ru6 Ru4 H82 66.3(10) . . ?
H85 Ru4 H82 75.9(15) . . ?
H81 Ru4 H82 95.0(16) . . ?
C65 Ru5 C64 38.64(11) . . ?
C65 Ru5 C61 38.42(11) . . ?
C64 Ru5 C61 64.08(11) . . ?
C65 Ru5 C63 64.06(11) . . ?
C64 Ru5 C63 38.30(11) . . ?
C61 Ru5 C63 63.24(11) . . ?
C65 Ru5 C62 63.05(12) . . ?
C64 Ru5 C62 63.14(11) . . ?
C61 Ru5 C62 37.05(11) . . ?
C63 Ru5 C62 37.44(11) . . ?
C65 Ru5 Al2 111.75(9) . . ?
C64 Ru5 Al2 147.30(9) . . ?
C61 Ru5 Al2 101.58(8) . . ?
C63 Ru5 Al2 161.22(8) . . ?
C62 Ru5 Al2 123.79(8) . . ?
C65 Ru5 Ru4 125.18(8) . . ?
C64 Ru5 Ru4 118.30(8) . . ?
C61 Ru5 Ru4 153.31(8) . . ?
C63 Ru5 Ru4 136.92(8) . . ?
C62 Ru5 Ru4 169.62(8) . . ?
Al2 Ru5 Ru4 61.31(2) . . ?
C65 Ru5 Ru6 157.52(8) . . ?
C64 Ru5 Ru6 161.78(9) . . ?
C61 Ru5 Ru6 123.98(8) . . ?
C63 Ru5 Ru6 126.95(8) . . ?
C62 Ru5 Ru6 112.14(8) . . ?
Al2 Ru5 Ru6 50.70(2) . . ?
Ru4 Ru5 Ru6 62.980(9) . . ?
C65 Ru5 H85 91.6(12) . . ?
C64 Ru5 H85 101.3(12) . . ?
C61 Ru5 H85 118.4(12) . . ?
C63 Ru5 H85 137.8(12) . . ?
C62 Ru5 H85 153.9(12) . . ?
Al2 Ru5 H85 57.9(12) . . ?
Ru4 Ru5 H85 35.9(12) . . ?
Ru6 Ru5 H85 88.9(12) . . ?
C65 Ru5 H82 135.6(10) . . ?
C64 Ru5 H82 102.6(10) . . ?
C61 Ru5 H82 162.9(10) . . ?
C63 Ru5 H82 99.7(10) . . ?
C62 Ru5 H82 128.6(10) . . ?
Al2 Ru5 H82 95.3(10) . . ?
Ru4 Ru5 H82 41.5(10) . . ?
Ru6 Ru5 H82 65.7(10) . . ?
H85 Ru5 H82 73.3(15) . . ?
C65 Ru5 H84 139.9(9) . . ?
C64 Ru5 H84 155.2(9) . . ?
C61 Ru5 H84 103.4(9) . . ?
C63 Ru5 H84 117.5(9) . . ?
C62 Ru5 H84 93.7(9) . . ?
Al2 Ru5 H84 52.6(9) . . ?
Ru4 Ru5 H84 82.8(9) . . ?
Ru6 Ru5 H84 20.8(9) . . ?
H85 Ru5 H84 103.4(15) . . ?
H82 Ru5 H84 84.5(13) . . ?
C72 Ru6 C73 38.60(6) . . ?
C72 Ru6 C71 38.30(6) . . ?
C73 Ru6 C71 63.88(9) . . ?
C72 Ru6 C731 47.02(11) . . ?
C73 Ru6 C731 14.46(10) . . ?
C71 Ru6 C731 62.45(10) . . ?
C72 Ru6 C74 63.70(9) . . ?
C73 Ru6 C74 37.91(6) . . ?
C71 Ru6 C74 62.97(9) . . ?
C731 Ru6 C74 23.47(10) . . ?
C72 Ru6 C741 63.04(10) . . ?
C73 Ru6 C741 50.45(10) . . ?
C71 Ru6 C741 49.02(10) . . ?
C731 Ru6 C741 37.53(5) . . ?
C74 Ru6 C741 19.48(9) . . ?
C72 Ru6 C75 63.39(9) . . ?
C73 Ru6 C75 63.14(9) . . ?
C71 Ru6 C75 37.48(5) . . ?
C731 Ru6 C75 52.31(9) . . ?
C74 Ru6 C75 37.27(5) . . ?
C741 Ru6 C75 17.85(9) . . ?
C72 Ru6 C721 13.89(11) . . ?
C73 Ru6 C721 26.20(11) . . ?
C71 Ru6 C721 49.47(10) . . ?
C731 Ru6 C721 37.16(5) . . ?
C74 Ru6 C721 57.46(10) . . ?
C741 Ru6 C721 61.91(8) . . ?
C75 Ru6 C721 66.97(9) . . ?
C72 Ru6 C751 52.51(10) . . ?
C73 Ru6 C751 67.93(10) . . ?
C71 Ru6 C751 17.68(9) . . ?
C731 Ru6 C751 61.77(8) . . ?
C74 Ru6 C751 54.43(9) . . ?
C741 Ru6 C751 36.86(5) . . ?
C75 Ru6 C751 21.62(9) . . ?
C721 Ru6 C751 61.01(8) . . ?
C72 Ru6 C711 22.94(10) . . ?
C73 Ru6 C711 57.55(10) . . ?
C71 Ru6 C711 18.86(9) . . ?
C731 Ru6 C711 61.38(8) . . ?
C74 Ru6 C711 70.10(9) . . ?
C741 Ru6 C711 61.20(8) . . ?
C75 Ru6 C711 53.82(9) . . ?
C721 Ru6 C711 36.3 . . ?
C751 Ru6 C711 36.2 . . ?
C72 Ru6 Al2 139.65(8) . . ?
C73 Ru6 Al2 132.74(8) . . ?
C71 Ru6 Al2 155.82(8) . . ?
C731 Ru6 Al2 138.69(8) . . ?
C74 Ru6 Al2 141.20(8) . . ?
C741 Ru6 Al2 153.17(8) . . ?
C75 Ru6 Al2 156.94(8) . . ?
C721 Ru6 Al2 135.38(8) . . ?
C751 Ru6 Al2 159.21(7) . . ?
C711 Ru6 Al2 145.62(7) . . ?
C72 Ru6 Ru4 157.51(9) . . ?
C73 Ru6 Ru4 148.91(9) . . ?
C71 Ru6 Ru4 119.35(9) . . ?
C731 Ru6 Ru4 135.31(7) . . ?
C74 Ru6 Ru4 112.88(8) . . ?
C741 Ru6 Ru4 105.87(7) . . ?
C75 Ru6 Ru4 99.84(7) . . ?
C721 Ru6 Ru4 166.77(7) . . ?
C751 Ru6 Ru4 106.39(7) . . ?
C711 Ru6 Ru4 134.95(7) . . ?
Al2 Ru6 Ru4 57.83(2) . . ?
C72 Ru6 H81 153.4(14) . . ?
C73 Ru6 H81 118.9(14) . . ?
C71 Ru6 H81 129.7(15) . . ?
C731 Ru6 H81 107.8(14) . . ?
C74 Ru6 H81 89.7(14) . . ?
C741 Ru6 H81 91.7(14) . . ?
C75 Ru6 H81 95.4(14) . . ?
C721 Ru6 H81 144.8(14) . . ?
C751 Ru6 H81 112.2(15) . . ?
C711 Ru6 H81 148.4(15) . . ?
Al2 Ru6 H81 63.0(14) . . ?
Ru4 Ru6 H81 32.6(14) . . ?
C72 Ru6 H83 103.4(13) . . ?
C73 Ru6 H83 85.2(13) . . ?
C71 Ru6 H83 141.7(13) . . ?
C731 Ru6 H83 93.0(13) . . ?
C74 Ru6 H83 106.3(13) . . ?
C741 Ru6 H83 125.8(13) . . ?
C75 Ru6 H83 143.5(13) . . ?
C721 Ru6 H83 93.0(13) . . ?
C751 Ru6 H83 152.8(13) . . ?
C711 Ru6 H83 124.3(13) . . ?
Al2 Ru6 H83 47.6(13) . . ?
Ru4 Ru6 H83 98.8(13) . . ?
H81 Ru6 H83 84.0(19) . . ?
C72 Ru6 H84 96.5(13) . . ?
C73 Ru6 H84 128.1(14) . . ?
C71 Ru6 H84 98.1(14) . . ?
C731 Ru6 H84 141.5(13) . . ?
C74 Ru6 H84 159.3(14) . . ?
C741 Ru6 H84 146.4(14) . . ?
C75 Ru6 H84 130.1(14) . . ?
C721 Ru6 H84 104.6(13) . . ?
C751 Ru6 H84 109.6(14) . . ?
C711 Ru6 H84 89.3(14) . . ?
Al2 Ru6 H84 58.2(14) . . ?
Ru4 Ru6 H84 82.9(13) . . ?
H81 Ru6 H84 110(2) . . ?
H83 Ru6 H84 83.2(19) . . ?
C31 Al1 Ru1 139.66(10) . . ?
C31 Al1 Ru3 138.34(10) . . ?
Ru1 Al1 Ru3 76.18(3) . . ?
C31 Al1 Ru2 134.61(10) . . ?
Ru1 Al1 Ru2 72.95(3) . . ?
Ru3 Al1 Ru2 62.75(2) . . ?
C31 Al1 H1 99.2(12) . . ?
Ru1 Al1 H1 40.6(12) . . ?
Ru3 Al1 H1 111.4(12) . . ?
Ru2 Al1 H1 106.6(12) . . ?
C41 Al2 Ru6 137.87(10) . . ?
C41 Al2 Ru5 140.90(9) . . ?
Ru6 Al2 Ru5 75.32(3) . . ?
C41 Al2 Ru4 135.49(9) . . ?
Ru6 Al2 Ru4 72.14(3) . . ?
Ru5 Al2 Ru4 62.60(2) . . ?
C41 Al2 H83 95.2(13) . . ?
Ru6 Al2 H83 42.8(13) . . ?
Ru5 Al2 H83 112.3(12) . . ?
Ru4 Al2 H83 107.8(12) . . ?
C41 Al2 H84 142.1(9) . . ?
Ru6 Al2 H84 34.4(9) . . ?
Ru5 Al2 H84 49.9(9) . . ?
Ru4 Al2 H84 82.2(9) . . ?
H83 Al2 H84 62.6(15) . . ?
C5 C1 C2 108.9(3) . . ?
C5 C1 C6 125.4(3) . . ?
C2 C1 C6 125.4(3) . . ?
C5 C1 Ru2 71.37(17) . . ?
C2 C1 Ru2 70.25(17) . . ?
C6 C1 Ru2 129.2(2) . . ?
C1 C2 C3 107.0(3) . . ?
C1 C2 C7 126.5(3) . . ?
C3 C2 C7 125.9(3) . . ?
C1 C2 Ru2 71.85(17) . . ?
C3 C2 Ru2 69.49(17) . . ?
C7 C2 Ru2 130.7(2) . . ?
C4 C3 C2 108.7(3) . . ?
C4 C3 C8 125.7(3) . . ?
C2 C3 C8 125.2(3) . . ?
C4 C3 Ru2 72.04(17) . . ?
C2 C3 Ru2 72.01(17) . . ?
C8 C3 Ru2 127.4(2) . . ?
C3 C4 C5 108.1(3) . . ?
C3 C4 C9 124.2(3) . . ?
C5 C4 C9 127.4(3) . . ?
C3 C4 Ru2 69.89(17) . . ?
C5 C4 Ru2 72.06(17) . . ?
C9 C4 Ru2 128.8(2) . . ?
C1 C5 C4 107.3(3) . . ?
C1 C5 C10 125.1(3) . . ?
C4 C5 C10 126.9(3) . . ?
C1 C5 Ru2 71.08(17) . . ?
C4 C5 Ru2 69.78(17) . . ?
C10 C5 Ru2 132.0(2) . . ?
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 . . ?
C15 C11 C12 107.5(2) . . ?
C15 C11 C16 125.8(3) . . ?
C12 C11 C16 125.8(3) . . ?
C15 C11 Ru3 69.89(16) . . ?
C12 C11 Ru3 72.66(16) . . ?
C16 C11 Ru3 131.6(2) . . ?
C13 C12 C11 107.9(3) . . ?
C13 C12 C17 126.1(3) . . ?
C11 C12 C17 125.7(3) . . ?
C13 C12 Ru3 72.01(17) . . ?
C11 C12 Ru3 69.14(16) . . ?
C17 C12 Ru3 129.5(2) . . ?
C12 C13 C14 108.7(3) . . ?
C12 C13 C18 125.5(3) . . ?
C14 C13 C18 125.4(3) . . ?
C12 C13 Ru3 70.84(16) . . ?
C14 C13 Ru3 69.56(16) . . ?
C18 C13 Ru3 130.7(2) . . ?
C15 C14 C13 107.4(3) . . ?
C15 C14 C19 126.9(3) . . ?
C13 C14 C19 125.3(3) . . ?
C15 C14 Ru3 69.27(16) . . ?
C13 C14 Ru3 72.76(17) . . ?
C19 C14 Ru3 129.3(2) . . ?
C14 C15 C11 108.6(3) . . ?
C14 C15 C20 125.5(3) . . ?
C11 C15 C20 125.5(3) . . ?
C14 C15 Ru3 72.39(16) . . ?
C11 C15 Ru3 71.50(16) . . ?
C20 C15 Ru3 127.8(2) . . ?
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 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C25 C21 C22 107.4(3) . . ?
C25 C21 C26 125.3(3) . . ?
C22 C21 C26 126.9(3) . . ?
C25 C21 Ru1 70.00(17) . . ?
C22 C21 Ru1 72.01(17) . . ?
C26 C21 Ru1 129.0(2) . . ?
C23 C22 C21 108.4(3) . . ?
C23 C22 C27 125.3(3) . . ?
C21 C22 C27 126.2(3) . . ?
C23 C22 Ru1 71.28(18) . . ?
C21 C22 Ru1 70.00(17) . . ?
C27 C22 Ru1 127.8(2) . . ?
C22 C23 C24 108.4(3) . . ?
C22 C23 C28 125.2(3) . . ?
C24 C23 C28 126.1(3) . . ?
C22 C23 Ru1 71.31(18) . . ?
C24 C23 Ru1 69.99(17) . . ?
C28 C23 Ru1 129.5(2) . . ?
C23 C24 C25 107.1(3) . . ?
C23 C24 C29 127.0(3) . . ?
C25 C24 C29 125.4(3) . . ?
C23 C24 Ru1 72.15(17) . . ?
C25 C24 Ru1 69.87(17) . . ?
C29 C24 Ru1 129.1(2) . . ?
C21 C25 C24 108.7(3) . . ?
C21 C25 C30 125.9(3) . . ?
C24 C25 C30 125.1(3) . . ?
C21 C25 Ru1 71.89(17) . . ?
C24 C25 Ru1 71.55(16) . . ?
C30 C25 Ru1 127.0(2) . . ?
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 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C35 103.1(3) . . ?
C32 C31 C36 116.7(3) . . ?
C35 C31 C36 114.5(3) . . ?
C32 C31 Al1 109.3(2) . . ?
C35 C31 Al1 107.7(2) . . ?
C36 C31 Al1 105.2(2) . . ?
C33 C32 C31 110.2(3) . . ?
C33 C32 C37 127.4(3) . . ?
C31 C32 C37 122.4(3) . . ?
C32 C33 C34 108.3(3) . . ?
C32 C33 C38 128.6(3) . . ?
C34 C33 C38 123.1(3) . . ?
C35 C34 C33 109.7(3) . . ?
C35 C34 C39 126.8(3) . . ?
C33 C34 C39 123.5(3) . . ?
C34 C35 C31 108.8(3) . . ?
C34 C35 C40 127.0(3) . . ?
C31 C35 C40 124.1(3) . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C33 C38 H38A 109.5 . . ?
C33 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C33 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C34 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C45 C41 C42 103.7(2) . . ?
C45 C41 C46 116.6(3) . . ?
C42 C41 C46 114.9(3) . . ?
C45 C41 Al2 109.5(2) . . ?
C42 C41 Al2 105.3(2) . . ?
C46 C41 Al2 106.31(19) . . ?
C43 C42 C41 108.9(3) . . ?
C43 C42 C47 126.9(3) . . ?
C41 C42 C47 124.2(3) . . ?
C42 C43 C44 109.3(3) . . ?
C42 C43 C48 127.2(3) . . ?
C44 C43 C48 123.5(3) . . ?
C45 C44 C43 108.5(3) . . ?
C45 C44 C49 127.7(3) . . ?
C43 C44 C49 123.8(3) . . ?
C44 C45 C41 109.4(3) . . ?
C44 C45 C50 126.7(3) . . ?
C41 C45 C50 123.9(3) . . ?
C41 C46 H46A 109.5 . . ?
C41 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C41 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C42 C47 H47A 109.5 . . ?
C42 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C42 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C43 C48 H48A 109.5 . . ?
C43 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C43 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C44 C49 H49A 109.5 . . ?
C44 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C44 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C55 C51 C52 108.6(3) . . ?
C55 C51 C56 125.0(3) . . ?
C52 C51 C56 125.6(3) . . ?
C55 C51 Ru4 73.14(17) . . ?
C52 C51 Ru4 70.09(17) . . ?
C56 C51 Ru4 130.3(2) . . ?
C53 C52 C51 107.3(3) . . ?
C53 C52 C57 126.3(3) . . ?
C51 C52 C57 126.1(3) . . ?
C53 C52 Ru4 70.20(17) . . ?
C51 C52 Ru4 71.56(17) . . ?
C57 C52 Ru4 128.1(2) . . ?
C52 C53 C54 108.1(3) . . ?
C52 C53 C58 126.7(3) . . ?
C54 C53 C58 124.9(3) . . ?
C52 C53 Ru4 71.28(17) . . ?
C54 C53 Ru4 72.10(17) . . ?
C58 C53 Ru4 127.6(2) . . ?
C55 C54 C53 107.7(3) . . ?
C55 C54 C59 127.5(3) . . ?
C53 C54 C59 124.0(3) . . ?
C55 C54 Ru4 72.96(17) . . ?
C53 C54 Ru4 69.29(16) . . ?
C59 C54 Ru4 130.7(2) . . ?
C51 C55 C54 108.2(3) . . ?
C51 C55 C60 125.4(3) . . ?
C54 C55 C60 126.2(3) . . ?
C51 C55 Ru4 69.50(16) . . ?
C54 C55 Ru4 69.61(16) . . ?
C60 C55 Ru4 130.9(2) . . ?
C51 C56 H56A 109.5 . . ?
C51 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C51 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C52 C57 H57A 109.5 . . ?
C52 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C52 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C53 C58 H58A 109.5 . . ?
C53 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C53 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C54 C59 H59A 109.5 . . ?
C54 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C54 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C55 C60 H60A 109.5 . . ?
C55 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C55 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 C65 108.2(3) . . ?
C62 C61 C66 125.4(3) . . ?
C65 C61 C66 126.1(3) . . ?
C62 C61 Ru5 73.40(17) . . ?
C65 C61 Ru5 69.40(16) . . ?
C66 C61 Ru5 128.4(2) . . ?
C61 C62 C63 108.6(3) . . ?
C61 C62 C67 125.0(3) . . ?
C63 C62 C67 126.1(3) . . ?
C61 C62 Ru5 69.55(16) . . ?
C63 C62 Ru5 69.74(16) . . ?
C67 C62 Ru5 131.0(2) . . ?
C62 C63 C64 107.7(3) . . ?
C62 C63 C68 126.9(3) . . ?
C64 C63 C68 125.1(3) . . ?
C62 C63 Ru5 72.82(17) . . ?
C64 C63 Ru5 69.51(16) . . ?
C68 C63 Ru5 127.4(2) . . ?
C65 C64 C63 107.7(3) . . ?
C65 C64 C69 126.2(3) . . ?
C63 C64 C69 125.5(3) . . ?
C65 C64 Ru5 70.28(17) . . ?
C63 C64 Ru5 72.19(17) . . ?
C69 C64 Ru5 130.3(2) . . ?
C64 C65 C61 107.8(3) . . ?
C64 C65 C70 126.7(3) . . ?
C61 C65 C70 125.3(3) . . ?
C64 C65 Ru5 71.08(17) . . ?
C61 C65 Ru5 72.17(17) . . ?
C70 C65 Ru5 126.1(2) . . ?
C61 C66 H66A 109.5 . . ?
C61 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C61 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C62 C67 H67A 109.5 . . ?
C62 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C62 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C63 C68 H68A 109.5 . . ?
C63 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C63 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C64 C69 H69A 109.5 . . ?
C64 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C64 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C65 C70 H70A 109.5 . . ?
C65 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C65 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C75 C71 C72 108.0 . . ?
C75 C71 C76 126.0 . . ?
C72 C71 C76 126.0 . . ?
C75 C71 Ru6 72.93(10) . . ?
C72 C71 Ru6 69.05(10) . . ?
C76 C71 Ru6 123.60(10) . . ?
C73 C72 C71 108.0 . . ?
C73 C72 C77 126.0 . . ?
C71 C72 C77 126.0 . . ?
C73 C72 Ru6 71.30(10) . . ?
C71 C72 Ru6 72.65(10) . . ?
C77 C72 Ru6 121.77(10) . . ?
C74 C73 C72 108.0 . . ?
C74 C73 C78 126.0 . . ?
C72 C73 C78 126.0 . . ?
C74 C73 Ru6 73.20(10) . . ?
C72 C73 Ru6 70.10(10) . . ?
C78 C73 Ru6 122.40(9) . . ?
C73 C74 C75 108.0 . . ?
C73 C74 C79 126.0 . . ?
C75 C74 C79 126.0 . . ?
C73 C74 Ru6 68.89(10) . . ?
C75 C74 Ru6 72.08(10) . . ?
C79 C74 Ru6 124.60(10) . . ?
C74 C75 C71 108.0 . . ?
C74 C75 C80 126.0 . . ?
C71 C75 C80 126.0 . . ?
C74 C75 Ru6 70.65(10) . . ?
C71 C75 Ru6 69.59(10) . . ?
C80 C75 Ru6 125.36(10) . . ?
C71 C76 H76A 109.5 . . ?
C71 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C71 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C72 C77 H77A 109.5 . . ?
C72 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C72 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C73 C78 H78A 109.5 . . ?
C73 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C73 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C74 C79 H79A 109.5 . . ?
C74 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C74 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C75 C80 H80A 109.5 . . ?
C75 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C75 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C721 C711 C751 108.0 . . ?
C721 C711 C761 126.0 . . ?
C751 C711 C761 126.0 . . ?
C721 C711 Ru6 70.11(9) . . ?
C751 C711 Ru6 70.99(9) . . ?
C761 C711 Ru6 124.46(8) . . ?
C711 C721 C731 108.0 . . ?
C711 C721 C771 126.0 . . ?
C731 C721 C771 126.0 . . ?
C711 C721 Ru6 73.55(9) . . ?
C731 C721 Ru6 69.43(9) . . ?
C771 C721 Ru6 122.71(9) . . ?
C721 C731 C741 108.0 . . ?
C721 C731 C781 126.0 . . ?
C741 C731 C781 126.0 . . ?
C721 C731 Ru6 73.41(9) . . ?
C741 C731 Ru6 71.76(9) . . ?
C781 C731 Ru6 120.62(9) . . ?
C751 C741 C731 108.0 . . ?
C751 C741 C791 126.0 . . ?
C731 C741 C791 126.0 . . ?
C751 C741 Ru6 73.85(9) . . ?
C731 C741 Ru6 70.72(9) . . ?
C791 C741 Ru6 121.14(9) . . ?
C741 C751 C711 108.0 . . ?
C741 C751 C801 126.0 . . ?
C711 C751 C801 126.0 . . ?
C741 C751 Ru6 69.29(9) . . ?
C711 C751 Ru6 72.81(9) . . ?
C801 C751 Ru6 123.54(9) . . ?
C711 C761 H76D 109.5 . . ?
C711 C761 H76E 109.5 . . ?
H76D C761 H76E 109.5 . . ?
C711 C761 H76F 109.5 . . ?
H76D C761 H76F 109.5 . . ?
H76E C761 H76F 109.5 . . ?
C721 C771 H77D 109.5 . . ?
C721 C771 H77E 109.5 . . ?
H77D C771 H77E 109.5 . . ?
C721 C771 H77F 109.5 . . ?
H77D C771 H77F 109.5 . . ?
H77E C771 H77F 109.5 . . ?
C731 C781 H78D 109.5 . . ?
C731 C781 H78E 109.5 . . ?
H78D C781 H78E 109.5 . . ?
C731 C781 H78F 109.5 . . ?
H78D C781 H78F 109.5 . . ?
H78E C781 H78F 109.5 . . ?
C741 C791 H79D 109.5 . . ?
C741 C791 H79E 109.5 . . ?
H79D C791 H79E 109.5 . . ?
C741 C791 H79F 109.5 . . ?
H79D C791 H79F 109.5 . . ?
H79E C791 H79F 109.5 . . ?
C751 C801 H80D 109.5 . . ?
C751 C801 H80E 109.5 . . ?
H80D C801 H80E 109.5 . . ?
C751 C801 H80F 109.5 . . ?
H80D C801 H80F 109.5 . . ?
H80E C801 H80F 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
Ru2 C3 2.164(3) . ?
Ru2 C4 2.192(3) . ?
Ru2 C2 2.197(3) . ?
Ru2 C1 2.218(3) . ?
Ru2 C5 2.222(3) . ?
Ru2 Al1 2.6577(9) . ?
Ru2 Ru3 2.6995(3) . ?
Ru2 Ru1 3.0245(4) . ?
Ru2 H5 1.67(4) . ?
Ru2 H4 1.79(3) . ?
Ru2 H3 1.73(4) . ?
Ru3 C15 2.157(3) . ?
Ru3 C11 2.178(3) . ?
Ru3 C14 2.198(3) . ?
Ru3 C12 2.225(3) . ?
Ru3 C13 2.240(3) . ?
Ru3 Al1 2.5226(9) . ?
Ru3 Ru1 3.0500(4) . ?
Ru3 H4 1.81(3) . ?
Ru3 H2 1.75(4) . ?
Ru3 H3 1.87(3) . ?
Ru1 C25 2.173(3) . ?
Ru1 C24 2.196(3) . ?
Ru1 C21 2.198(3) . ?
Ru1 C23 2.224(3) . ?
Ru1 C22 2.225(3) . ?
Ru1 Al1 2.4195(9) . ?
Ru1 H5 1.75(4) . ?
Ru1 H2 1.66(4) . ?
Ru1 H1 1.58(4) . ?
Ru4 C53 2.164(3) . ?
Ru4 C52 2.179(3) . ?
Ru4 C51 2.198(3) . ?
Ru4 C54 2.202(3) . ?
Ru4 C55 2.246(3) . ?
Ru4 Al2 2.6729(9) . ?
Ru4 Ru5 2.7052(3) . ?
Ru4 Ru6 3.0054(4) . ?
Ru4 H85 1.65(3) . ?
Ru4 H81 1.81(4) . ?
Ru4 H82 1.81(3) . ?
Ru5 C65 2.163(3) . ?
Ru5 C64 2.173(3) . ?
Ru5 C61 2.199(3) . ?
Ru5 C63 2.209(3) . ?
Ru5 C62 2.249(3) . ?
Ru5 Al2 2.5287(9) . ?
Ru5 Ru6 3.0247(4) . ?
Ru5 H85 1.75(3) . ?
Ru5 H82 1.82(3) . ?
Ru5 H84 1.98(3) . ?
Ru6 C72 2.141(3) . ?
Ru6 C73 2.157(3) . ?
Ru6 C71 2.188(3) . ?
Ru6 C731 2.203(3) . ?
Ru6 C74 2.213(3) . ?
Ru6 C741 2.217(3) . ?
Ru6 C75 2.232(3) . ?
Ru6 C721 2.255(3) . ?
Ru6 C751 2.277(3) . ?
Ru6 C711 2.300(3) . ?
Ru6 Al2 2.4198(10) . ?
Ru6 H81 1.72(4) . ?
Ru6 H83 1.64(4) . ?
Ru6 H84 1.37(3) . ?
Al1 C31 2.033(3) . ?
Al1 H1 1.76(3) . ?
Al2 C41 2.026(3) . ?
Al2 H83 1.79(4) . ?
Al2 H84 2.06(3) . ?
C1 C5 1.429(4) . ?
C1 C2 1.434(4) . ?
C1 C6 1.497(4) . ?
C2 C3 1.438(4) . ?
C2 C7 1.491(4) . ?
C3 C4 1.421(4) . ?
C3 C8 1.505(4) . ?
C4 C5 1.443(4) . ?
C4 C9 1.493(4) . ?
C5 C10 1.495(4) . ?
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 . ?
C11 C15 1.433(4) . ?
C11 C12 1.441(4) . ?
C11 C16 1.495(4) . ?
C12 C13 1.423(4) . ?
C12 C17 1.489(4) . ?
C13 C14 1.434(4) . ?
C13 C18 1.490(4) . ?
C14 C15 1.430(4) . ?
C14 C19 1.501(4) . ?
C15 C20 1.504(4) . ?
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 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C25 1.427(4) . ?
C21 C22 1.440(4) . ?
C21 C26 1.497(4) . ?
C22 C23 1.427(4) . ?
C22 C27 1.499(4) . ?
C23 C24 1.434(4) . ?
C23 C28 1.497(4) . ?
C24 C25 1.443(4) . ?
C24 C29 1.493(4) . ?
C25 C30 1.504(4) . ?
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 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.487(4) . ?
C31 C35 1.493(4) . ?
C31 C36 1.535(4) . ?
C32 C33 1.348(4) . ?
C32 C37 1.499(4) . ?
C33 C34 1.455(5) . ?
C33 C38 1.504(5) . ?
C34 C35 1.355(5) . ?
C34 C39 1.518(5) . ?
C35 C40 1.501(5) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C45 1.480(4) . ?
C41 C42 1.491(4) . ?
C41 C46 1.545(4) . ?
C42 C43 1.352(4) . ?
C42 C47 1.495(4) . ?
C43 C44 1.460(4) . ?
C43 C48 1.500(4) . ?
C44 C45 1.359(4) . ?
C44 C49 1.500(4) . ?
C45 C50 1.503(4) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 C55 1.424(4) . ?
C51 C52 1.438(4) . ?
C51 C56 1.510(4) . ?
C52 C53 1.433(4) . ?
C52 C57 1.492(4) . ?
C53 C54 1.444(4) . ?
C53 C58 1.499(4) . ?
C54 C55 1.428(4) . ?
C54 C59 1.492(4) . ?
C55 C60 1.486(4) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.414(4) . ?
C61 C65 1.436(4) . ?
C61 C66 1.499(4) . ?
C62 C63 1.431(4) . ?
C62 C67 1.495(4) . ?
C63 C64 1.438(4) . ?
C63 C68 1.497(4) . ?
C64 C65 1.434(4) . ?
C64 C69 1.499(4) . ?
C65 C70 1.493(4) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 C75 1.4209(15) . ?
C71 C72 1.4209(15) . ?
C71 C76 1.5103(16) . ?
C72 C73 1.4208(15) . ?
C72 C77 1.5104(16) . ?
C73 C74 1.4207(15) . ?
C73 C78 1.5103(16) . ?
C74 C75 1.4208(15) . ?
C74 C79 1.5105(16) . ?
C75 C80 1.5104(16) . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C711 C721 1.4214(15) . ?
C711 C751 1.4222(15) . ?
C711 C761 1.5115(15) . ?
C721 C731 1.4215(14) . ?
C721 C771 1.5114(16) . ?
C731 C741 1.4220(15) . ?
C731 C781 1.5115(15) . ?
C741 C751 1.4217(15) . ?
C741 C791 1.5112(16) . ?
C751 C801 1.5114(16) . ?
C761 H76D 0.9800 . ?
C761 H76E 0.9800 . ?
C761 H76F 0.9800 . ?
C771 H77D 0.9800 . ?
C771 H77E 0.9800 . ?
C771 H77F 0.9800 . ?
C781 H78D 0.9800 . ?
C781 H78E 0.9800 . ?
C781 H78F 0.9800 . ?
C791 H79D 0.9800 . ?
C791 H79E 0.9800 . ?
C791 H79F 0.9800 . ?
C801 H80D 0.9800 . ?
C801 H80E 0.9800 . ?
C801 H80F 0.9800 . ?
