#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/68/7036879.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_7036879
loop_
_publ_author_name
'Li, Shuyu'
'Wang, Xingyong'
'Zhang, Zaichao'
'Zhao, Yue'
'Wang, Xinping'
_publ_section_title
;
 Isolation and structural characterization of a mainly ligand-based
 dimetallic radical.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              19754
_journal_page_last               19757
_journal_paper_doi               10.1039/c5dt03578c
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C24 H30 O4 Ru2, C16 Al F36 O4, C H2 Cl2'
_chemical_formula_sum            'C41 H32 Al Cl2 F36 O8 Ru2'
_chemical_formula_weight         1636.69
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-05-18 deposited with the CCDC.
2015-10-13 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 100.5580(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.8725(10)
_cell_length_b                   28.220(3)
_cell_length_c                   19.994(2)
_cell_measurement_reflns_used    9793
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      2.53
_cell_volume                     5476.1(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX DUO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0290
_diffrn_reflns_av_sigmaI/netI    0.0251
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            48961
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    0.838
_exptl_absorpt_correction_T_max  0.8989
_exptl_absorpt_correction_T_min  0.8638
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2011)'
_exptl_crystal_density_diffrn    1.985
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3204
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.905
_refine_diff_density_min         -0.408
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1067
_refine_ls_number_reflns         12411
_refine_ls_number_restraints     1070
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0312
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0746P)²+4.7875P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0985
_refine_ls_wR_factor_ref         0.1157
_reflns_number_gt                10627
_reflns_number_total             12411
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt03578c2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7036879--7036880.cif.
;
_cod_original_cell_volume        5476.0(10)
_cod_original_sg_symbol_Hall     '-P 2ybc  '
_cod_original_sg_symbol_H-M      'P2(1)/c  '
_cod_database_code               7036879
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Al1 Al 0.24999(6) 0.73716(2) 0.25016(3) 0.01210(14) Uani 1 1 d . A .
C1 C 0.4565(3) 0.79807(9) 0.33491(12) 0.0216(5) Uani 1 1 d . . .
C2 C 0.5713(3) 0.80048(10) 0.29097(15) 0.0302(6) Uani 1 1 d . . .
C3 C 0.4310(3) 0.84847(10) 0.36076(17) 0.0368(7) Uani 1 1 d . . .
C4 C 0.5049(3) 0.76548(12) 0.39685(15) 0.0400(7) Uani 1 1 d . . .
C5 C 0.1012(2) 0.67694(8) 0.33282(11) 0.0163(4) Uani 1 1 d . . .
C6 C 0.0958(3) 0.71084(9) 0.39320(13) 0.0242(5) Uani 1 1 d . . .
C7 C -0.0444(3) 0.67428(9) 0.28727(12) 0.0225(5) Uani 1 1 d . . .
C8 C 0.1434(3) 0.62657(9) 0.36047(13) 0.0255(5) Uani 1 1 d . . .
C29 C 0.2089(4) 0.46780(12) 0.73776(16) 0.0441(7) Uani 1 1 d . . .
H29A H 0.1259 0.4497 0.7436 0.053 Uiso 1 1 calc R . .
H29B H 0.2856 0.4450 0.7391 0.053 Uiso 1 1 calc R . .
C17A C 0.3665(3) 0.52762(9) 0.50796(12) 0.0196(5) Uani 1 1 d . . .
C18A C 0.4750(3) 0.45122(8) 0.59712(12) 0.0192(5) Uani 1 1 d . . .
C19A C 0.2782(2) 0.44735(8) 0.40304(11) 0.0181(4) Uani 1 1 d . . .
C20A C 0.3978(3) 0.42093(8) 0.39886(12) 0.0190(5) Uani 1 1 d . . .
C21A C 0.4186(2) 0.38673(8) 0.45367(12) 0.0188(5) Uani 1 1 d . . .
C22A C 0.3087(2) 0.39235(8) 0.49078(12) 0.0188(5) Uani 1 1 d . . .
C23A C 0.2222(2) 0.42986(8) 0.46038(12) 0.0182(4) Uani 1 1 d . . .
C24A C 0.2104(3) 0.48393(9) 0.35403(13) 0.0266(5) Uani 1 1 d . . .
H24A H 0.1352 0.4693 0.3218 0.040 Uiso 1 1 calc R . .
H24B H 0.2782 0.4973 0.3291 0.040 Uiso 1 1 calc R . .
H24C H 0.1733 0.5092 0.3790 0.040 Uiso 1 1 calc R . .
C25A C 0.4834(3) 0.42450(10) 0.34438(14) 0.0304(6) Uani 1 1 d . . .
H25A H 0.4414 0.4054 0.3051 0.046 Uiso 1 1 calc R . .
H25B H 0.5766 0.4128 0.3620 0.046 Uiso 1 1 calc R . .
H25C H 0.4881 0.4577 0.3304 0.046 Uiso 1 1 calc R . .
C26A C 0.5254(3) 0.34868(9) 0.46363(16) 0.0307(6) Uani 1 1 d . . .
H26A H 0.4951 0.3224 0.4324 0.046 Uiso 1 1 calc R . .
H26B H 0.5388 0.3372 0.5106 0.046 Uiso 1 1 calc R . .
H26C H 0.6125 0.3614 0.4544 0.046 Uiso 1 1 calc R . .
C27A C 0.2828(3) 0.36180(9) 0.54872(14) 0.0290(6) Uani 1 1 d . . .
H27A H 0.2326 0.3332 0.5306 0.043 Uiso 1 1 calc R . .
H27B H 0.2278 0.3795 0.5764 0.043 Uiso 1 1 calc R . .
H27C H 0.3709 0.3528 0.5769 0.043 Uiso 1 1 calc R . .
C28A C 0.0890(3) 0.44561(10) 0.47854(15) 0.0274(5) Uani 1 1 d . . .
H28A H 0.0133 0.4270 0.4527 0.041 Uiso 1 1 calc R . .
H28B H 0.0744 0.4793 0.4675 0.041 Uiso 1 1 calc R . .
H28C H 0.0921 0.4408 0.5273 0.041 Uiso 1 1 calc R . .
C17B C 0.1210(3) -0.02945(10) 0.47993(14) 0.0261(5) Uani 1 1 d . . .
C18B C -0.0032(3) 0.04873(9) 0.39925(14) 0.0260(5) Uani 1 1 d . . .
C19B C 0.1852(3) 0.10837(9) 0.49754(13) 0.0235(5) Uani 1 1 d . . .
C20B C 0.2798(3) 0.06946(8) 0.51247(12) 0.0207(5) Uani 1 1 d . . .
C21B C 0.2590(2) 0.04891(8) 0.57590(12) 0.0201(5) Uani 1 1 d . . .
C22B C 0.1516(3) 0.07378(9) 0.59802(13) 0.0245(5) Uani 1 1 d . . .
C23B C 0.1054(3) 0.11085(9) 0.54972(15) 0.0265(5) Uani 1 1 d . . .
C24B C 0.1810(3) 0.14329(10) 0.44086(15) 0.0355(7) Uani 1 1 d . . .
H24D H 0.2466 0.1689 0.4556 0.053 Uiso 1 1 calc R . .
H24E H 0.0879 0.1564 0.4286 0.053 Uiso 1 1 calc R . .
H24F H 0.2058 0.1273 0.4012 0.053 Uiso 1 1 calc R . .
C25B C 0.3913(3) 0.05598(10) 0.47401(14) 0.0292(6) Uani 1 1 d . . .
H25D H 0.4795 0.0690 0.4972 0.044 Uiso 1 1 calc R . .
H25E H 0.3692 0.0687 0.4277 0.044 Uiso 1 1 calc R . .
H25F H 0.3979 0.0214 0.4720 0.044 Uiso 1 1 calc R . .
C26B C 0.3461(3) 0.01073(10) 0.61391(14) 0.0285(6) Uani 1 1 d . . .
H26D H 0.4298 0.0247 0.6404 0.043 Uiso 1 1 calc R . .
H26E H 0.3713 -0.0123 0.5816 0.043 Uiso 1 1 calc R . .
H26F H 0.2942 -0.0053 0.6447 0.043 Uiso 1 1 calc R . .
C27B C 0.1035(3) 0.06725(11) 0.66412(15) 0.0378(7) Uani 1 1 d . . .
H27D H 0.1514 0.0898 0.6976 0.057 Uiso 1 1 calc R . .
H27E H 0.1237 0.0348 0.6805 0.057 Uiso 1 1 calc R . .
H27F H 0.0040 0.0729 0.6575 0.057 Uiso 1 1 calc R . .
C28B C 0.0034(3) 0.14861(11) 0.5581(2) 0.0438(8) Uani 1 1 d . . .
H28D H 0.0479 0.1724 0.5905 0.066 Uiso 1 1 calc R . .
H28E H -0.0742 0.1344 0.5753 0.066 Uiso 1 1 calc R . .
H28F H -0.0304 0.1637 0.5141 0.066 Uiso 1 1 calc R . .
Cl1 Cl 0.17737(9) 0.49620(4) 0.65817(4) 0.0547(2) Uani 1 1 d . . .
Cl2 Cl 0.25097(10) 0.50813(4) 0.80505(5) 0.0599(3) Uani 1 1 d . . .
F1 F 0.67342(19) 0.83014(7) 0.31797(11) 0.0493(5) Uani 1 1 d . . .
F2 F 0.5202(2) 0.81527(7) 0.22897(9) 0.0434(4) Uani 1 1 d . . .
F3 F 0.62629(17) 0.75831(6) 0.28543(10) 0.0422(4) Uani 1 1 d . . .
F4 F 0.5313(2) 0.86196(8) 0.41189(11) 0.0548(6) Uani 1 1 d . . .
F5 F 0.3133(2) 0.85061(8) 0.38295(12) 0.0569(6) Uani 1 1 d . . .
F6 F 0.4258(2) 0.88015(6) 0.31169(12) 0.0549(6) Uani 1 1 d . . .
F7 F 0.6368(2) 0.77234(9) 0.42562(11) 0.0595(6) Uani 1 1 d . . .
F8 F 0.4917(2) 0.71990(6) 0.37723(10) 0.0471(5) Uani 1 1 d . . .
F9 F 0.4296(3) 0.77167(9) 0.44437(9) 0.0591(6) Uani 1 1 d . . .
F10 F -0.01926(17) 0.70551(6) 0.41883(8) 0.0345(4) Uani 1 1 d . . .
F11 F 0.09967(18) 0.75571(5) 0.37290(9) 0.0326(4) Uani 1 1 d . . .
F12 F 0.20335(18) 0.70389(7) 0.44312(8) 0.0356(4) Uani 1 1 d . . .
F13 F -0.13007(16) 0.64543(6) 0.31417(8) 0.0318(4) Uani 1 1 d . . .
F14 F -0.03810(16) 0.65764(6) 0.22618(8) 0.0309(4) Uani 1 1 d . . .
F15 F -0.10293(15) 0.71688(6) 0.28007(8) 0.0306(3) Uani 1 1 d . . .
F16 F 0.07788(18) 0.61388(6) 0.41101(9) 0.0386(4) Uani 1 1 d . . .
F17 F 0.27732(16) 0.62386(6) 0.38422(8) 0.0333(4) Uani 1 1 d . . .
F18 F 0.11295(18) 0.59422(5) 0.31084(9) 0.0353(4) Uani 1 1 d . . .
O1 O 0.33683(17) 0.78234(6) 0.29823(8) 0.0186(3) Uani 1 1 d . . .
O2 O 0.19730(16) 0.69141(5) 0.29680(8) 0.0156(3) Uani 1 1 d . . .
O3 O 0.36198(16) 0.71326(5) 0.20222(8) 0.0168(3) Uani 1 1 d D . .
O4 O 0.10213(16) 0.76173(6) 0.20341(8) 0.0179(3) Uani 1 1 d D . .
O5A O 0.2689(2) 0.54802(6) 0.51395(10) 0.0265(4) Uani 1 1 d . . .
O6A O 0.4957(2) 0.44479(7) 0.65454(9) 0.0297(4) Uani 1 1 d . . .
O4B O 0.2112(2) -0.04996(7) 0.46459(11) 0.0336(5) Uani 1 1 d . . .
O5B O -0.0391(2) 0.05570(8) 0.34327(10) 0.0389(5) Uani 1 1 d . . .
Ru1 Ru 0.431466(18) 0.458135(6) 0.501563(9) 0.01394(7) Uani 1 1 d . . .
Ru2 Ru 0.06833(2) 0.041429(7) 0.493517(16) 0.01500(10) Uani 0.9180(13) 1 d P .
.
Ru2' Ru 0.0311(3) 0.04414(7) 0.52792(18) 0.0158(10) Uani 0.0820(13) 1 d P . .
C9 C 0.3970(5) 0.67573(17) 0.1671(3) 0.0150(11) Uani 0.658(4) 1 d PDU A 1
C10 C 0.2865(4) 0.63610(13) 0.15869(19) 0.0252(8) Uani 0.658(4) 1 d PDU A 1
C11 C 0.4145(4) 0.69324(12) 0.09525(17) 0.0204(8) Uani 0.658(4) 1 d PDU A 1
C12 C 0.5369(4) 0.65510(12) 0.20471(18) 0.0211(8) Uani 0.658(4) 1 d PDU A 1
F19 F 0.2964(4) 0.60633(12) 0.10730(18) 0.0329(8) Uani 0.658(4) 1 d PDU A 1
F20 F 0.1609(5) 0.6548(2) 0.1455(3) 0.0289(12) Uani 0.658(4) 1 d PDU A 1
F21 F 0.2958(7) 0.6100(3) 0.2145(4) 0.0305(14) Uani 0.658(4) 1 d PDU A 1
F22 F 0.4818(4) 0.66208(18) 0.0632(2) 0.0288(9) Uani 0.658(4) 1 d PDU A 1
F23 F 0.4823(9) 0.73357(18) 0.0996(4) 0.0262(13) Uani 0.658(4) 1 d PDU A 1
F24 F 0.2921(6) 0.7002(3) 0.0564(3) 0.0299(13) Uani 0.658(4) 1 d PDU A 1
F25 F 0.5606(4) 0.61121(12) 0.1821(2) 0.0324(8) Uani 0.658(4) 1 d PDU A 1
F26 F 0.5385(9) 0.6517(3) 0.2709(3) 0.0354(17) Uani 0.658(4) 1 d PDU A 1
F27 F 0.6413(6) 0.6823(3) 0.1960(3) 0.0318(12) Uani 0.658(4) 1 d PDU A 1
C9' C 0.3941(9) 0.6763(3) 0.1647(5) 0.018(2) Uani 0.342(4) 1 d PDU A 2
C10' C 0.2717(7) 0.6633(2) 0.1082(3) 0.0253(14) Uani 0.342(4) 1 d PDU A 2
C11' C 0.5197(6) 0.6906(2) 0.1326(3) 0.0223(14) Uani 0.342(4) 1 d PDU A 2
C12' C 0.4342(7) 0.6328(2) 0.2120(3) 0.0251(14) Uani 0.342(4) 1 d PDU A 2
F19' F 0.2828(8) 0.6203(2) 0.0819(4) 0.0358(16) Uani 0.342(4) 1 d PDU A 2
F20' F 0.1526(10) 0.6649(5) 0.1310(7) 0.030(2) Uani 0.342(4) 1 d PDU A 2
F21' F 0.2576(13) 0.6939(5) 0.0562(7) 0.032(3) Uani 0.342(4) 1 d PDU A 2
F22' F 0.5309(8) 0.6618(3) 0.0799(4) 0.0308(17) Uani 0.342(4) 1 d PDU A 2
F23' F 0.5107(17) 0.7342(4) 0.1098(8) 0.033(3) Uani 0.342(4) 1 d PDU A 2
F24' F 0.6366(11) 0.6870(6) 0.1770(5) 0.031(2) Uani 0.342(4) 1 d PDU A 2
F25' F 0.5057(7) 0.6006(2) 0.1832(4) 0.0309(15) Uani 0.342(4) 1 d PDU A 2
F26' F 0.5113(16) 0.6459(6) 0.2706(5) 0.030(3) Uani 0.342(4) 1 d PDU A 2
F27' F 0.3233(13) 0.6112(6) 0.2267(8) 0.032(3) Uani 0.342(4) 1 d PDU A 2
C13 C 0.0432(3) 0.79835(11) 0.16564(15) 0.0187(6) Uani 0.850(4) 1 d PDU A 3
C14 C 0.0924(3) 0.79877(11) 0.09634(15) 0.0278(7) Uani 0.850(4) 1 d PDU A 3
C15 C 0.0770(4) 0.84667(11) 0.20225(17) 0.0336(8) Uani 0.850(4) 1 d PDU A 3
C16 C -0.1157(3) 0.79047(12) 0.15263(17) 0.0326(7) Uani 0.850(4) 1 d PDU A 3
F28 F 0.0578(4) 0.83863(11) 0.06132(17) 0.0391(8) Uani 0.850(4) 1 d PDU A 3
F29 F 0.2288(5) 0.79495(18) 0.1065(3) 0.0443(13) Uani 0.850(4) 1 d PDU A 3
F30 F 0.0401(3) 0.76282(11) 0.05824(14) 0.0405(7) Uani 0.850(4) 1 d PDU A 3
F31 F -0.0107(4) 0.88088(11) 0.1755(2) 0.0479(10) Uani 0.850(4) 1 d PDU A 3
F32 F 0.0692(6) 0.8427(2) 0.2680(2) 0.0517(14) Uani 0.850(4) 1 d PDU A 3
F33 F 0.2034(3) 0.86108(9) 0.19698(15) 0.0473(7) Uani 0.850(4) 1 d PDU A 3
F34 F -0.1813(3) 0.81694(15) 0.10122(17) 0.0506(9) Uani 0.850(4) 1 d PDU A 3
F35 F -0.1470(5) 0.74558(18) 0.1385(3) 0.0432(12) Uani 0.850(4) 1 d PDU A 3
F36 F -0.1675(3) 0.80171(14) 0.20705(16) 0.0478(9) Uani 0.850(4) 1 d PDU A 3
C13' C 0.0430(13) 0.7973(5) 0.1620(6) 0.029(2) Uani 0.150(4) 1 d PDU A 4
C14' C 0.1469(13) 0.8230(4) 0.1259(6) 0.032(2) Uani 0.150(4) 1 d PDU A 4
C15' C -0.0205(13) 0.8327(4) 0.2072(6) 0.034(2) Uani 0.150(4) 1 d PDU A 4
C16' C -0.0750(12) 0.7771(5) 0.1066(6) 0.036(3) Uani 0.150(4) 1 d PDU A 4
F28' F 0.087(2) 0.8495(7) 0.0740(8) 0.042(4) Uani 0.150(4) 1 d PDU A 4
F29' F 0.228(2) 0.7920(7) 0.1021(13) 0.024(5) Uani 0.150(4) 1 d PDU A 4
F30' F 0.2259(17) 0.8521(6) 0.1676(8) 0.060(4) Uani 0.150(4) 1 d PDU A 4
F31' F -0.059(2) 0.8727(5) 0.1740(13) 0.044(5) Uani 0.150(4) 1 d PDU A 4
F32' F 0.074(2) 0.8435(9) 0.2627(10) 0.030(5) Uani 0.150(4) 1 d PDU A 4
F33' F -0.1300(16) 0.8133(6) 0.2271(9) 0.039(4) Uani 0.150(4) 1 d PDU A 4
F34' F -0.1577(19) 0.8122(8) 0.0797(9) 0.056(5) Uani 0.150(4) 1 d PDU A 4
F35' F -0.149(3) 0.7451(8) 0.1312(14) 0.040(6) Uani 0.150(4) 1 d PDU A 4
F36' F -0.0241(17) 0.7579(7) 0.0565(8) 0.052(5) Uani 0.150(4) 1 d PDU A 4
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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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
O1 Al1 O2 114.79(8) . .
O1 Al1 O3 107.10(8) . .
O2 Al1 O3 107.11(8) . .
O1 Al1 O4 106.79(8) . .
O2 Al1 O4 106.49(8) . .
O3 Al1 O4 114.81(8) . .
O1 C1 C4 110.6(2) . .
O1 C1 C3 107.7(2) . .
C4 C1 C3 108.9(2) . .
O1 C1 C2 111.3(2) . .
C4 C1 C2 109.1(2) . .
C3 C1 C2 109.1(2) . .
F2 C2 F3 107.4(2) . .
F2 C2 F1 108.1(2) . .
F3 C2 F1 107.7(2) . .
F2 C2 C1 110.6(2) . .
F3 C2 C1 111.1(2) . .
F1 C2 C1 111.7(2) . .
F5 C3 F6 107.6(3) . .
F5 C3 F4 107.7(2) . .
F6 C3 F4 107.2(2) . .
F5 C3 C1 111.2(2) . .
F6 C3 C1 111.1(2) . .
F4 C3 C1 111.9(3) . .
F9 C4 F7 107.7(3) . .
F9 C4 F8 107.4(3) . .
F7 C4 F8 107.4(3) . .
F9 C4 C1 111.4(3) . .
F7 C4 C1 113.1(3) . .
F8 C4 C1 109.6(2) . .
O2 C5 C6 110.83(19) . .
O2 C5 C8 107.21(19) . .
C6 C5 C8 109.45(19) . .
O2 C5 C7 111.42(18) . .
C6 C5 C7 109.0(2) . .
C8 C5 C7 108.8(2) . .
F12 C6 F11 107.7(2) . .
F12 C6 F10 108.2(2) . .
F11 C6 F10 107.3(2) . .
F12 C6 C5 110.9(2) . .
F11 C6 C5 110.02(19) . .
F10 C6 C5 112.5(2) . .
F14 C7 F15 108.3(2) . .
F14 C7 F13 107.0(2) . .
F15 C7 F13 107.2(2) . .
F14 C7 C5 111.3(2) . .
F15 C7 C5 110.9(2) . .
F13 C7 C5 111.94(19) . .
F17 C8 F18 107.5(2) . .
F17 C8 F16 107.6(2) . .
F18 C8 F16 107.5(2) . .
F17 C8 C5 111.5(2) . .
F18 C8 C5 110.5(2) . .
F16 C8 C5 112.1(2) . .
Cl2 C29 Cl1 112.12(19) . .
Cl2 C29 H29A 109.2 . .
Cl1 C29 H29A 109.2 . .
Cl2 C29 H29B 109.2 . .
Cl1 C29 H29B 109.2 . .
H29A C29 H29B 107.9 . .
O5A C17A Ru1 139.1(2) . .
O5A C17A Ru1 138.7(2) . 3_666
Ru1 C17A Ru1 82.21(9) . 3_666
O6A C18A Ru1 175.8(2) . .
C20A C19A C23A 108.2(2) . .
C20A C19A C24A 127.2(2) . .
C23A C19A C24A 124.4(2) . .
C20A C19A Ru1 71.99(13) . .
C23A C19A Ru1 69.48(13) . .
C24A C19A Ru1 128.51(16) . .
C19A C20A C21A 108.2(2) . .
C19A C20A C25A 126.6(2) . .
C21A C20A C25A 125.1(2) . .
C19A C20A Ru1 71.84(13) . .
C21A C20A Ru1 69.34(13) . .
C25A C20A Ru1 128.05(17) . .
C22A C21A C20A 107.6(2) . .
C22A C21A C26A 126.5(2) . .
C20A C21A C26A 125.5(2) . .
C22A C21A Ru1 70.44(13) . .
C20A C21A Ru1 73.18(13) . .
C26A C21A Ru1 127.67(17) . .
C23A C22A C21A 108.3(2) . .
C23A C22A C27A 125.6(2) . .
C21A C22A C27A 126.0(2) . .
C23A C22A Ru1 72.05(13) . .
C21A C22A Ru1 71.87(13) . .
C27A C22A Ru1 125.14(17) . .
C22A C23A C19A 107.8(2) . .
C22A C23A C28A 127.1(2) . .
C19A C23A C28A 124.9(2) . .
C22A C23A Ru1 70.46(13) . .
C19A C23A Ru1 73.02(13) . .
C28A C23A Ru1 126.98(17) . .
C19A C24A H24A 109.5 . .
C19A C24A H24B 109.5 . .
H24A C24A H24B 109.5 . .
C19A C24A H24C 109.5 . .
H24A C24A H24C 109.5 . .
H24B C24A H24C 109.5 . .
C20A C25A H25A 109.5 . .
C20A C25A H25B 109.5 . .
H25A C25A H25B 109.5 . .
C20A C25A H25C 109.5 . .
H25A C25A H25C 109.5 . .
H25B C25A H25C 109.5 . .
C21A C26A H26A 109.5 . .
C21A C26A H26B 109.5 . .
H26A C26A H26B 109.5 . .
C21A C26A H26C 109.5 . .
H26A C26A H26C 109.5 . .
H26B C26A H26C 109.5 . .
C22A C27A H27A 109.5 . .
C22A C27A H27B 109.5 . .
H27A C27A H27B 109.5 . .
C22A C27A H27C 109.5 . .
H27A C27A H27C 109.5 . .
H27B C27A H27C 109.5 . .
C23A C28A H28A 109.5 . .
C23A C28A H28B 109.5 . .
H28A C28A H28B 109.5 . .
C23A C28A H28C 109.5 . .
H28A C28A H28C 109.5 . .
H28B C28A H28C 109.5 . .
O4B C17B Ru2' 128.8(3) . 3_556
O4B C17B Ru2 140.3(2) . 3_556
Ru2' C17B Ru2 21.26(14) 3_556 3_556
O4B C17B Ru2 137.5(2) . .
Ru2' C17B Ru2 90.57(15) 3_556 .
Ru2 C17B Ru2 82.26(10) 3_556 .
O4B C17B Ru2' 149.5(2) . .
Ru2' C17B Ru2' 81.70(15) 3_556 .
Ru2 C17B Ru2' 68.76(10) 3_556 .
Ru2 C17B Ru2' 18.25(8) . .
O5B C18B Ru2 175.0(3) . .
O5B C18B Ru2' 167.2(2) . .
Ru2 C18B Ru2' 14.35(7) . .
C23B C19B C20B 108.2(2) . .
C23B C19B C24B 125.6(2) . .
C20B C19B C24B 126.0(3) . .
C23B C19B Ru2 73.27(15) . .
C20B C19B Ru2 70.67(14) . .
C24B C19B Ru2 126.45(18) . .
C23B C19B Ru2' 54.23(15) . .
C20B C19B Ru2' 78.32(16) . .
C24B C19B Ru2' 136.42(19) . .
Ru2 C19B Ru2' 19.16(8) . .
C19B C20B C21B 107.4(2) . .
C19B C20B C25B 126.6(2) . .
C21B C20B C25B 125.7(2) . .
C19B C20B Ru2 71.28(14) . .
C21B C20B Ru2 73.96(14) . .
C25B C20B Ru2 125.59(17) . .
C22B C21B C20B 108.2(2) . .
C22B C21B C26B 126.5(2) . .
C20B C21B C26B 125.1(2) . .
C22B C21B Ru2 72.70(14) . .
C20B C21B Ru2 68.44(13) . .
C26B C21B Ru2 128.60(17) . .
C22B C21B Ru2' 54.60(16) . .
C20B C21B Ru2' 86.68(17) . .
C26B C21B Ru2' 126.98(18) . .
Ru2 C21B Ru2' 21.27(10) . .
C21B C22B C23B 108.4(2) . .
C21B C22B C27B 126.5(3) . .
C23B C22B C27B 124.7(2) . .
C21B C22B Ru2' 87.34(19) . .
C23B C22B Ru2' 75.01(17) . .
C27B C22B Ru2' 110.3(2) . .
C21B C22B Ru2 71.34(14) . .
C23B C22B Ru2 70.19(15) . .
C27B C22B Ru2 129.66(19) . .
Ru2' C22B Ru2 20.17(12) . .
C19B C23B C22B 107.9(2) . .
C19B C23B C28B 126.4(3) . .
C22B C23B C28B 125.4(3) . .
C19B C23B Ru2' 91.4(2) . .
C22B C23B Ru2' 61.95(16) . .
C28B C23B Ru2' 117.3(2) . .
C19B C23B Ru2 69.64(14) . .
C22B C23B Ru2 72.88(14) . .
C28B C23B Ru2 128.6(2) . .
Ru2' C23B Ru2 21.84(11) . .
C19B C24B H24D 109.5 . .
C19B C24B H24E 109.5 . .
H24D C24B H24E 109.5 . .
C19B C24B H24F 109.5 . .
H24D C24B H24F 109.5 . .
H24E C24B H24F 109.5 . .
C20B C25B H25D 109.5 . .
C20B C25B H25E 109.5 . .
H25D C25B H25E 109.5 . .
C20B C25B H25F 109.5 . .
H25D C25B H25F 109.5 . .
H25E C25B H25F 109.5 . .
C21B C26B H26D 109.5 . .
C21B C26B H26E 109.5 . .
H26D C26B H26E 109.5 . .
C21B C26B H26F 109.5 . .
H26D C26B H26F 109.5 . .
H26E C26B H26F 109.5 . .
C22B C27B H27D 109.5 . .
C22B C27B H27E 109.5 . .
H27D C27B H27E 109.5 . .
C22B C27B H27F 109.5 . .
H27D C27B H27F 109.5 . .
H27E C27B H27F 109.5 . .
C23B C28B H28D 109.5 . .
C23B C28B H28E 109.5 . .
H28D C28B H28E 109.5 . .
C23B C28B H28F 109.5 . .
H28D C28B H28F 109.5 . .
H28E C28B H28F 109.5 . .
C1 O1 Al1 147.47(16) . .
C5 O2 Al1 145.22(15) . .
C9 O3 C9' 2.3(6) . .
C9 O3 Al1 147.8(2) . .
C9' O3 Al1 147.8(4) . .
C13 O4 C13' 3.2(6) . .
C13 O4 Al1 147.78(18) . .
C13' O4 Al1 148.2(6) . .
C17B O4B Ru2' 29.54(16) . 3_556
C18A Ru1 C17A 92.92(10) . .
C18A Ru1 C17A 93.91(10) . 3_666
C17A Ru1 C17A 97.79(9) . 3_666
C18A Ru1 C22A 91.78(9) . .
C17A Ru1 C22A 129.13(9) . .
C17A Ru1 C22A 132.33(9) 3_666 .
C18A Ru1 C21A 109.03(9) . .
C17A Ru1 C21A 152.74(9) . .
C17A Ru1 C21A 96.64(9) 3_666 .
C22A Ru1 C21A 37.69(9) . .
C18A Ru1 C23A 111.14(10) . .
C17A Ru1 C23A 94.88(9) . .
C17A Ru1 C23A 151.25(9) 3_666 .
C22A Ru1 C23A 37.49(9) . .
C21A Ru1 C23A 62.65(9) . .
C18A Ru1 C19A 148.64(10) . .
C17A Ru1 C19A 90.90(9) . .
C17A Ru1 C19A 116.38(9) 3_666 .
C22A Ru1 C19A 62.37(9) . .
C21A Ru1 C19A 61.94(8) . .
C23A Ru1 C19A 37.50(8) . .
C18A Ru1 C20A 146.41(9) . .
C17A Ru1 C20A 119.74(9) . .
C17A Ru1 C20A 89.45(9) 3_666 .
C22A Ru1 C20A 62.41(9) . .
C21A Ru1 C20A 37.47(8) . .
C23A Ru1 C20A 61.90(9) . .
C19A Ru1 C20A 36.17(9) . .
C18A Ru1 Ru1 95.20(7) . 3_666
C17A Ru1 Ru1 48.95(7) . 3_666
C17A Ru1 Ru1 48.85(7) 3_666 3_666
C22A Ru1 Ru1 172.83(6) . 3_666
C21A Ru1 Ru1 139.79(6) . 3_666
C23A Ru1 Ru1 137.05(6) . 3_666
C19A Ru1 Ru1 110.49(6) . 3_666
C20A Ru1 Ru1 111.69(6) . 3_666
Ru2' Ru2 C18B 131.59(18) . .
Ru2' Ru2 C17B 41.56(17) . 3_556
C18B Ru2 C17B 94.80(11) . 3_556
Ru2' Ru2 C17B 110.40(17) . .
C18B Ru2 C17B 91.76(11) . .
C17B Ru2 C17B 97.74(10) 3_556 .
Ru2' Ru2 C20B 111.69(16) . .
C18B Ru2 C20B 107.49(10) . .
C17B Ru2 C20B 153.00(10) 3_556 .
C17B Ru2 C20B 96.64(10) . .
Ru2' Ru2 C19B 101.32(16) . .
C18B Ru2 C19B 92.30(10) . .
C17B Ru2 C19B 128.56(10) 3_556 .
C17B Ru2 C19B 132.91(10) . .
C20B Ru2 C19B 38.05(9) . .
Ru2' Ru2 C23B 64.44(16) . .
C18B Ru2 C23B 113.41(11) . .
C17B Ru2 C23B 94.94(10) 3_556 .
C17B Ru2 C23B 150.69(10) . .
C20B Ru2 C23B 62.57(9) . .
C19B Ru2 C23B 37.09(10) . .
Ru2' Ru2 C21B 80.01(17) . .
C18B Ru2 C21B 144.81(10) . .
C17B Ru2 C21B 119.87(10) 3_556 .
C17B Ru2 C21B 89.45(9) . .
C20B Ru2 C21B 37.60(9) . .
C19B Ru2 C21B 62.36(9) . .
C23B Ru2 C21B 61.37(9) . .
Ru2' Ru2 C22B 49.82(16) . .
C18B Ru2 C22B 150.27(10) . .
C17B Ru2 C22B 91.22(10) 3_556 .
C17B Ru2 C22B 116.25(10) . .
C20B Ru2 C22B 61.88(9) . .
C19B Ru2 C22B 61.82(9) . .
C23B Ru2 C22B 36.93(10) . .
C21B Ru2 C22B 35.96(9) . .
Ru2' Ru2 Ru2' 90.62(16) . 3_556
C18B Ru2 Ru2' 82.94(11) . 3_556
C17B Ru2 Ru2' 63.87(11) 3_556 3_556
C17B Ru2 Ru2' 36.06(10) . 3_556
C20B Ru2 Ru2' 132.62(9) . 3_556
C19B Ru2 Ru2' 167.23(12) . 3_556
C23B Ru2 Ru2' 155.05(12) . 3_556
C21B Ru2 Ru2' 116.19(8) . 3_556
C22B Ru2 Ru2' 125.41(11) . 3_556
Ru2' Ru2 Ru2 72.73(14) . 3_556
C18B Ru2 Ru2 94.97(8) . 3_556
C17B Ru2 Ru2 49.42(8) 3_556 3_556
C17B Ru2 Ru2 48.32(7) . 3_556
C20B Ru2 Ru2 139.48(6) . 3_556
C19B Ru2 Ru2 172.60(7) . 3_556
C23B Ru2 Ru2 137.16(7) . 3_556
C21B Ru2 Ru2 111.60(6) . 3_556
C22B Ru2 Ru2 110.80(7) . 3_556
Ru2' Ru2 Ru2 17.90(8) 3_556 3_556
Ru2 Ru2' C17B 117.2(2) . 3_556
Ru2 Ru2' C22B 110.0(2) . .
C17B Ru2' C22B 132.5(3) 3_556 .
Ru2 Ru2' C23B 93.7(2) . .
C17B Ru2' C23B 125.2(2) 3_556 .
C22B Ru2' C23B 43.04(12) . .
Ru2 Ru2' C21B 78.72(19) . .
C17B Ru2' C21B 158.1(2) 3_556 .
C22B Ru2' C21B 38.07(11) . .
C23B Ru2' C21B 64.37(11) . .
Ru2 Ru2' O4B 129.7(2) . 3_556
C17B Ru2' O4B 21.65(13) 3_556 3_556
C22B Ru2' O4B 115.1(2) . 3_556
C23B Ru2' O4B 104.13(15) . 3_556
C21B Ru2' O4B 151.16(19) . 3_556
Ru2 Ru2' C19B 59.52(16) . .
C17B Ru2' C19B 142.49(18) 3_556 .
C22B Ru2' C19B 61.72(12) . .
C23B Ru2' C19B 34.41(11) . .
C21B Ru2' C19B 57.65(11) . .
O4B Ru2' C19B 127.81(12) 3_556 .
Ru2 Ru2' C17B 51.36(14) . .
C17B Ru2' C17B 98.30(15) 3_556 .
C22B Ru2' C17B 115.89(15) . .
C23B Ru2' C17B 134.88(19) . .
C21B Ru2' C17B 79.62(12) . .
O4B Ru2' C17B 119.94(12) 3_556 .
C19B Ru2' C17B 103.41(16) . .
Ru2 Ru2' C18B 34.06(14) . .
C17B Ru2' C18B 87.92(16) 3_556 .
C22B Ru2' C18B 133.53(19) . .
C23B Ru2' C18B 98.37(16) . .
C21B Ru2' C18B 111.19(17) . .
O4B Ru2' C18B 96.26(11) 3_556 .
C19B Ru2' C18B 72.06(13) . .
C17B Ru2' C18B 69.28(13) . .
Ru2 Ru2' Ru2 89.38(16) . 3_556
C17B Ru2' Ru2 53.37(12) 3_556 3_556
C22B Ru2' Ru2 135.05(16) . 3_556
C23B Ru2' Ru2 176.8(2) . 3_556
C21B Ru2' Ru2 115.81(11) . 3_556
O4B Ru2' Ru2 74.21(9) 3_556 3_556
C19B Ru2' Ru2 148.60(18) . 3_556
C17B Ru2' Ru2 47.37(8) . 3_556
C18B Ru2' Ru2 84.52(10) . 3_556
Ru2 Ru2' Ru2' 71.60(18) . 3_556
C17B Ru2' Ru2' 64.75(14) 3_556 3_556
C22B Ru2' Ru2' 140.90(17) . 3_556
C23B Ru2' Ru2' 165.3(3) . 3_556
C21B Ru2' Ru2' 110.70(16) . 3_556
O4B Ru2' Ru2' 86.39(13) 3_556 3_556
C19B Ru2' Ru2' 130.9(2) . 3_556
C17B Ru2' Ru2' 33.55(10) . 3_556
C18B Ru2' Ru2' 69.90(15) . 3_556
Ru2 Ru2' Ru2' 17.78(7) 3_556 3_556
O3 C9 C10 112.3(4) . .
O3 C9 C12 109.3(3) . .
C10 C9 C12 109.1(4) . .
O3 C9 C11 108.2(4) . .
C10 C9 C11 108.8(3) . .
C12 C9 C11 109.0(3) . .
F21 C10 F20 107.8(5) . .
F21 C10 F19 107.0(5) . .
F20 C10 F19 107.1(4) . .
F21 C10 C9 111.7(4) . .
F20 C10 C9 110.3(4) . .
F19 C10 C9 112.6(3) . .
F23 C11 F24 108.0(5) . .
F23 C11 F22 108.0(5) . .
F24 C11 F22 107.3(5) . .
F23 C11 C9 110.8(4) . .
F24 C11 C9 110.2(4) . .
F22 C11 C9 112.5(3) . .
F27 C12 F26 107.9(5) . .
F27 C12 F25 107.5(5) . .
F26 C12 F25 107.2(5) . .
F27 C12 C9 111.2(4) . .
F26 C12 C9 110.9(5) . .
F25 C12 C9 111.9(3) . .
O3 C9' C10' 111.0(6) . .
O3 C9' C11' 108.4(6) . .
C10' C9' C11' 109.8(6) . .
O3 C9' C12' 109.2(6) . .
C10' C9' C12' 109.7(6) . .
C11' C9' C12' 108.8(6) . .
F19' C10' F20' 107.8(8) . .
F19' C10' F21' 106.6(8) . .
F20' C10' F21' 105.7(8) . .
F19' C10' C9' 113.3(6) . .
F20' C10' C9' 111.3(7) . .
F21' C10' C9' 111.8(7) . .
F23' C11' F24' 107.5(9) . .
F23' C11' F22' 107.8(9) . .
F24' C11' F22' 107.0(8) . .
F23' C11' C9' 112.2(9) . .
F24' C11' C9' 111.6(7) . .
F22' C11' C9' 110.6(6) . .
F26' C12' F27' 107.1(9) . .
F26' C12' F25' 107.8(8) . .
F27' C12' F25' 107.5(9) . .
F26' C12' C9' 111.0(8) . .
F27' C12' C9' 111.6(8) . .
F25' C12' C9' 111.6(6) . .
O4 C13 C14 109.5(2) . .
O4 C13 C15 112.1(2) . .
C14 C13 C15 109.8(3) . .
O4 C13 C16 107.6(2) . .
C14 C13 C16 108.8(3) . .
C15 C13 C16 109.0(3) . .
F30 C14 F29 107.8(3) . .
F30 C14 F28 108.1(3) . .
F29 C14 F28 107.6(3) . .
F30 C14 C13 111.0(3) . .
F29 C14 C13 109.7(3) . .
F28 C14 C13 112.5(3) . .
F33 C15 F32 109.1(4) . .
F33 C15 F31 107.1(3) . .
F32 C15 F31 107.7(4) . .
F33 C15 C13 110.7(3) . .
F32 C15 C13 110.1(4) . .
F31 C15 C13 112.1(3) . .
F35 C16 F36 107.2(4) . .
F35 C16 F34 108.0(4) . .
F36 C16 F34 107.0(3) . .
F35 C16 C13 111.2(3) . .
F36 C16 C13 111.0(3) . .
F34 C16 C13 112.3(3) . .
O4 C13' C14' 112.5(9) . .
O4 C13' C15' 107.1(9) . .
C14' C13' C15' 110.1(9) . .
O4 C13' C16' 110.0(9) . .
C14' C13' C16' 108.3(9) . .
C15' C13' C16' 108.7(9) . .
F30' C14' F28' 105.7(11) . .
F30' C14' F29' 108.1(12) . .
F28' C14' F29' 107.4(12) . .
F30' C14' C13' 111.4(10) . .
F28' C14' C13' 113.2(11) . .
F29' C14' C13' 110.7(11) . .
F31' C15' F33' 108.9(11) . .
F31' C15' F32' 108.2(12) . .
F33' C15' F32' 108.8(12) . .
F31' C15' C13' 111.4(11) . .
F33' C15' C13' 110.1(10) . .
F32' C15' C13' 109.5(11) . .
F35' C16' F36' 108.6(12) . .
F35' C16' F34' 108.8(12) . .
F36' C16' F34' 106.8(11) . .
F35' C16' C13' 112.3(12) . .
F36' C16' C13' 110.6(10) . .
F34' C16' C13' 109.7(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Al1 O1 1.7269(17) .
Al1 O2 1.7276(16) .
Al1 O3 1.7276(16) .
Al1 O4 1.7278(17) .
C1 O1 1.346(3) .
C1 C4 1.546(4) .
C1 C3 1.550(4) .
C1 C2 1.558(4) .
C2 F2 1.317(4) .
C2 F3 1.321(3) .
C2 F1 1.345(3) .
C3 F5 1.319(3) .
C3 F6 1.321(4) .
C3 F4 1.342(3) .
C4 F9 1.321(4) .
C4 F7 1.337(4) .
C4 F8 1.344(4) .
C5 O2 1.355(3) .
C5 C6 1.549(3) .
C5 C8 1.554(3) .
C5 C7 1.556(3) .
C6 F12 1.332(3) .
C6 F11 1.332(3) .
C6 F10 1.337(3) .
C7 F14 1.321(3) .
C7 F15 1.330(3) .
C7 F13 1.354(3) .
C8 F17 1.322(3) .
C8 F18 1.341(3) .
C8 F16 1.345(3) .
C29 Cl2 1.753(4) .
C29 Cl1 1.758(3) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C17A O5A 1.148(3) .
C17A Ru1 2.074(2) .
C17A Ru1 2.077(2) 3_666
C18A O6A 1.143(3) .
C18A Ru1 1.890(2) .
C19A C20A 1.412(3) .
C19A C23A 1.447(3) .
C19A C24A 1.494(3) .
C19A Ru1 2.274(2) .
C20A C21A 1.447(3) .
C20A C25A 1.499(3) .
C20A Ru1 2.276(2) .
C21A C22A 1.431(3) .
C21A C26A 1.492(3) .
C21A Ru1 2.225(2) .
C22A C23A 1.425(3) .
C22A C27A 1.503(3) .
C22A Ru1 2.206(2) .
C23A C28A 1.494(3) .
C23A Ru1 2.227(2) .
C24A H24A 0.9800 .
C24A H24B 0.9800 .
C24A H24C 0.9800 .
C25A H25A 0.9800 .
C25A H25B 0.9800 .
C25A H25C 0.9800 .
C26A H26A 0.9800 .
C26A H26B 0.9800 .
C26A H26C 0.9800 .
C27A H27A 0.9800 .
C27A H27B 0.9800 .
C27A H27C 0.9800 .
C28A H28A 0.9800 .
C28A H28B 0.9800 .
C28A H28C 0.9800 .
C17B O4B 1.150(3) .
C17B Ru2' 1.538(4) 3_556
C17B Ru2 2.062(3) 3_556
C17B Ru2 2.097(3) .
C17B Ru2' 2.516(4) .
C18B O5B 1.128(3) .
C18B Ru2 1.899(3) .
C18B Ru2' 2.536(5) .
C19B C23B 1.420(4) .
C19B C20B 1.437(3) .
C19B C24B 1.497(4) .
C19B Ru2 2.207(2) .
C19B Ru2' 2.511(4) .
C20B C21B 1.443(3) .
C20B C25B 1.503(4) .
C20B Ru2 2.199(2) .
C21B C22B 1.409(4) .
C21B C26B 1.496(3) .
C21B Ru2 2.273(2) .
C21B Ru2' 2.282(3) .
C22B C23B 1.440(4) .
C22B C27B 1.495(4) .
C22B Ru2' 1.862(3) .
C22B Ru2 2.290(3) .
C23B C28B 1.497(4) .
C23B Ru2' 2.038(3) .
C23B Ru2 2.255(3) .
C24B H24D 0.9800 .
C24B H24E 0.9800 .
C24B H24F 0.9800 .
C25B H25D 0.9800 .
C25B H25E 0.9800 .
C25B H25F 0.9800 .
C26B H26D 0.9800 .
C26B H26E 0.9800 .
C26B H26F 0.9800 .
C27B H27D 0.9800 .
C27B H27E 0.9800 .
C27B H27F 0.9800 .
C28B H28D 0.9800 .
C28B H28E 0.9800 .
C28B H28F 0.9800 .
O3 C9 1.350(5) .
O3 C9' 1.355(9) .
O4 C13 1.348(3) .
O4 C13' 1.362(13) .
O4B Ru2' 2.430(4) 3_556
Ru1 C17A 2.077(3) 3_666
Ru1 Ru1 2.7293(4) 3_666
Ru2 Ru2' 0.841(4) .
Ru2 C17B 2.062(3) 3_556
Ru2 Ru2' 2.612(2) 3_556
Ru2 Ru2 2.7355(5) 3_556
Ru2' C17B 1.538(4) 3_556
Ru2' O4B 2.430(4) 3_556
Ru2' Ru2 2.612(2) 3_556
Ru2' Ru2' 2.753(4) 3_556
C9 C10 1.550(6) .
C9 C12 1.559(6) .
C9 C11 1.559(6) .
C10 F21 1.325(7) .
C10 F20 1.329(6) .
C10 F19 1.345(5) .
C11 F23 1.315(6) .
C11 F24 1.326(6) .
C11 F22 1.335(5) .
C12 F27 1.322(7) .
C12 F26 1.324(7) .
C12 F25 1.354(5) .
C9' C10' 1.539(10) .
C9' C11' 1.551(10) .
C9' C12' 1.556(10) .
C10' F19' 1.336(8) .
C10' F20' 1.337(10) .
C10' F21' 1.339(10) .
C11' F23' 1.310(10) .
C11' F24' 1.325(10) .
C11' F22' 1.350(8) .
C12' F26' 1.327(10) .
C12' F27' 1.332(10) .
C12' F25' 1.345(8) .
C13 C14 1.550(4) .
C13 C15 1.555(4) .
C13 C16 1.559(4) .
C14 F30 1.316(4) .
C14 F29 1.328(5) .
C14 F28 1.336(4) .
C15 F33 1.335(5) .
C15 F32 1.337(6) .
C15 F31 1.341(4) .
C16 F35 1.322(6) .
C16 F36 1.323(4) .
C16 F34 1.338(4) .
C13' C14' 1.540(13) .
C13' C15' 1.554(13) .
C13' C16' 1.561(13) .
C14' F30' 1.319(12) .
C14' F28' 1.326(12) .
C14' F29' 1.331(12) .
C15' F31' 1.329(12) .
C15' F33' 1.337(12) .
C15' F32' 1.345(12) .
C16' F35' 1.310(12) .
C16' F36' 1.317(12) .
C16' F34' 1.334(12) .
