# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1401403'
_audit_update_record             
;
2015-05-18 deposited with the CCDC.
2015-10-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_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

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/c  '
_symmetry_space_group_name_Hall  '-P 2ybc  '

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'

_cell_length_a                   9.8725(10)
_cell_length_b                   28.220(3)
_cell_length_c                   19.994(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.5580(10)
_cell_angle_gamma                90.00
_cell_volume                     5476.0(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    9793
_cell_measurement_theta_min      2.53
_cell_measurement_theta_max      27.43

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.985
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3204
_exptl_absorpt_coefficient_mu    0.838
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8638
_exptl_absorpt_correction_T_max  0.8989
_exptl_absorpt_process_details   'SADABS (Bruker, 2011)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            48961
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_av_sigmaI/netI    0.0251
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.26
_diffrn_reflns_theta_max         27.44
_reflns_number_total             12411
_reflns_number_gt                10627
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX DUO'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0746P)²+4.7875P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12411
_refine_ls_number_parameters     1067
_refine_ls_number_restraints     1070
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0312
_refine_ls_wR_factor_ref         0.1157
_refine_ls_wR_factor_gt          0.0985
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.006
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
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) . ?

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
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) . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        27.44
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         0.905
_refine_diff_density_min         -0.408
_refine_diff_density_rms         0.120
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1401404'
_audit_update_record             
;
2015-05-18 deposited with the CCDC.
2015-10-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H29 O4 Ru2, C16 Al F36 O4'
_chemical_formula_sum            'C40 H29 Al F36 O8 Ru2'
_chemical_formula_weight         1550.75

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/c  '
_symmetry_space_group_name_Hall  '-P 2ybc  '

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'

_cell_length_a                   14.5300(10)
_cell_length_b                   16.2986(11)
_cell_length_c                   22.1066(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.2180(10)
_cell_angle_gamma                90.00
_cell_volume                     5227.0(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    9417
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      27.58

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.971
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3032
_exptl_absorpt_coefficient_mu    0.773
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8243
_exptl_absorpt_correction_T_max  0.8545
_exptl_absorpt_process_details   'SADABS (Bruker, 2011)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            34796
_diffrn_reflns_av_R_equivalents  0.0639
_diffrn_reflns_av_sigmaI/netI    0.0486
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.40
_diffrn_reflns_theta_max         27.61
_reflns_number_total             12107
_reflns_number_gt                10311
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX DUO'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0381P)²+0.7562P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12107
_refine_ls_number_parameters     1029
_refine_ls_number_restraints     1040
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0294
_refine_ls_wR_factor_ref         0.0785
_refine_ls_wR_factor_gt          0.0745
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C13 C 0.28504(16) 0.29889(15) 0.15597(10) 0.0240(5) Uani 0.918(3) 1 d PDU A 3
C14 C 0.2185(2) 0.25241(18) 0.11042(11) 0.0395(6) Uani 0.918(3) 1 d PDU A 3
C15 C 0.23380(19) 0.37455(16) 0.18016(11) 0.0367(6) Uani 0.918(3) 1 d PDU A 3
C16 C 0.37071(19) 0.32850(18) 0.12307(12) 0.0412(7) Uani 0.918(3) 1 d PDU A 3
F28 F 0.1712(2) 0.30324(17) 0.07274(11) 0.0567(8) Uani 0.918(3) 1 d PDU A 3
F29 F 0.1579(2) 0.20846(16) 0.13990(15) 0.0574(8) Uani 0.918(3) 1 d PDU A 3
F30 F 0.2643(2) 0.20108(12) 0.07640(8) 0.0626(6) Uani 0.918(3) 1 d PDU A 3
F31 F 0.22978(18) 0.43708(14) 0.14066(11) 0.0549(7) Uani 0.918(3) 1 d PDU A 3
F32 F 0.2769(3) 0.4014(2) 0.23117(12) 0.0568(8) Uani 0.918(3) 1 d PDU A 3
F33 F 0.14800(16) 0.35718(15) 0.19227(10) 0.0549(7) Uani 0.918(3) 1 d PDU A 3
F34 F 0.3481(3) 0.35939(18) 0.06812(13) 0.0578(8) Uani 0.918(3) 1 d PDU A 3
F35 F 0.42768(19) 0.2663(3) 0.11591(17) 0.0630(8) Uani 0.918(3) 1 d PDU A 3
F36 F 0.41598(15) 0.38638(16) 0.15442(11) 0.0621(7) Uani 0.918(3) 1 d PDU A 3
C13' C 0.2953(10) 0.3004(9) 0.1547(7) 0.036(2) Uani 0.082(3) 1 d PDU A 4
C14' C 0.1924(9) 0.2896(10) 0.1342(7) 0.039(3) Uani 0.082(3) 1 d PDU A 4
C15' C 0.3111(11) 0.3894(7) 0.1766(7) 0.039(3) Uani 0.082(3) 1 d PDU A 4
C16' C 0.3564(12) 0.2801(10) 0.1022(6) 0.039(3) Uani 0.082(3) 1 d PDU A 4
F28' F 0.1738(19) 0.3265(18) 0.0808(8) 0.039(5) Uani 0.082(3) 1 d PDU A 4
F29' F 0.169(2) 0.2114(12) 0.1289(16) 0.050(6) Uani 0.082(3) 1 d PDU A 4
F30' F 0.1401(11) 0.3258(14) 0.1741(9) 0.032(4) Uani 0.082(3) 1 d PDU A 4
F31' F 0.2715(14) 0.4441(12) 0.1390(12) 0.043(5) Uani 0.082(3) 1 d PDU A 4
F32' F 0.278(2) 0.4015(19) 0.2307(10) 0.048(7) Uani 0.082(3) 1 d PDU A 4
F33' F 0.4001(10) 0.4070(12) 0.1812(8) 0.034(4) Uani 0.082(3) 1 d PDU A 4
F34' F 0.355(3) 0.3396(14) 0.0611(11) 0.042(5) Uani 0.082(3) 1 d PDU A 4
F35' F 0.4435(12) 0.268(2) 0.1213(16) 0.041(6) Uani 0.082(3) 1 d PDU A 4
F36' F 0.3264(16) 0.2117(10) 0.0741(7) 0.045(4) Uani 0.082(3) 1 d PDU A 4
C1 C 0.2753(3) 0.0163(3) 0.2327(2) 0.0209(10) Uani 0.623(7) 1 d PDU B 1
C2 C 0.3303(5) 0.0180(5) 0.1748(3) 0.0305(14) Uani 0.623(7) 1 d PDU B 1
C3 C 0.3360(4) -0.0237(3) 0.2854(2) 0.0279(11) Uani 0.623(7) 1 d PDU B 1
C4 C 0.1874(3) -0.0360(3) 0.2212(3) 0.0410(12) Uani 0.623(7) 1 d PDU B 1
F1 F 0.3733(8) -0.0527(5) 0.1644(5) 0.041(2) Uani 0.623(7) 1 d PDU B 1
F2 F 0.3923(4) 0.0781(4) 0.1776(2) 0.0350(11) Uani 0.623(7) 1 d PDU B 1
F3 F 0.2743(4) 0.0326(4) 0.1261(2) 0.0497(13) Uani 0.623(7) 1 d PDU B 1
F4 F 0.3349(3) -0.1063(2) 0.28225(18) 0.0400(8) Uani 0.623(7) 1 d PDU B 1
F5 F 0.3061(3) -0.0024(2) 0.33850(13) 0.0451(9) Uani 0.623(7) 1 d PDU B 1
F6 F 0.4237(3) -0.0005(3) 0.2838(2) 0.0394(9) Uani 0.623(7) 1 d PDU B 1
F7 F 0.2028(4) -0.1069(3) 0.1931(2) 0.0528(12) Uani 0.623(7) 1 d PDU B 1
F8 F 0.1245(2) 0.0051(2) 0.1880(3) 0.0615(14) Uani 0.623(7) 1 d PDU B 1
F9 F 0.1504(3) -0.05375(19) 0.2734(3) 0.0619(13) Uani 0.623(7) 1 d PDU B 1
C1' C 0.2668(5) 0.0168(5) 0.2241(4) 0.0251(18) Uani 0.377(7) 1 d PDU B 2
C2' C 0.3420(7) 0.0201(7) 0.1774(4) 0.0236(19) Uani 0.377(7) 1 d PDU B 2
C3' C 0.3019(7) -0.0344(5) 0.2798(4) 0.0366(19) Uani 0.377(7) 1 d PDU B 2
C4' C 0.1776(5) -0.0205(5) 0.1947(4) 0.0360(18) Uani 0.377(7) 1 d PDU B 2
F1' F 0.3831(11) -0.0525(7) 0.1698(8) 0.026(2) Uani 0.377(7) 1 d PDU B 2
F2' F 0.4072(7) 0.0730(7) 0.1952(4) 0.0333(19) Uani 0.377(7) 1 d PDU B 2
F3' F 0.3074(5) 0.0443(7) 0.1236(4) 0.0359(15) Uani 0.377(7) 1 d PDU B 2
F4' F 0.2936(6) -0.1142(4) 0.2697(4) 0.0544(18) Uani 0.377(7) 1 d PDU B 2
F5' F 0.2534(7) -0.0158(4) 0.3274(3) 0.0597(19) Uani 0.377(7) 1 d PDU B 2
F6' F 0.3910(6) -0.0178(5) 0.2938(4) 0.0480(19) Uani 0.377(7) 1 d PDU B 2
F7' F 0.1933(6) -0.0920(5) 0.1668(4) 0.054(2) Uani 0.377(7) 1 d PDU B 2
F8' F 0.1371(3) 0.0300(5) 0.1553(3) 0.0527(17) Uani 0.377(7) 1 d PDU B 2
F9' F 0.1179(4) -0.0357(4) 0.2374(4) 0.0571(19) Uani 0.377(7) 1 d PDU B 2
Al1 Al 0.28963(4) 0.19036(3) 0.26406(2) 0.01712(11) Uani 1 1 d . A .
C5 C 0.13252(14) 0.23449(13) 0.33694(9) 0.0240(4) Uani 1 1 d . B .
C6 C 0.16641(17) 0.20750(16) 0.40174(10) 0.0356(5) Uani 1 1 d . . .
C7 C 0.05964(16) 0.17200(17) 0.31109(12) 0.0394(6) Uani 1 1 d . . .
C8 C 0.08678(16) 0.32081(15) 0.33990(10) 0.0343(5) Uani 1 1 d . . .
C9 C 0.46854(14) 0.20918(13) 0.33416(9) 0.0255(4) Uani 1 1 d . B .
C10 C 0.52559(15) 0.25136(14) 0.28551(10) 0.0298(5) Uani 1 1 d . . .
C11 C 0.52641(16) 0.13852(17) 0.36381(11) 0.0405(6) Uani 1 1 d . . .
C12 C 0.44552(17) 0.27343(17) 0.38326(10) 0.0390(6) Uani 1 1 d . . .
C17 C 0.13522(15) 0.61436(13) 0.92661(9) 0.0273(4) Uani 1 1 d . . .
C18 C 0.04514(17) 0.57010(16) 0.92889(12) 0.0415(6) Uani 1 1 d . . .
H18A H 0.0444 0.5233 0.9011 0.062 Uiso 1 1 calc R . .
H18B H -0.0054 0.6076 0.9169 0.062 Uiso 1 1 calc R . .
H18C H 0.0375 0.5505 0.9702 0.062 Uiso 1 1 calc R . .
C19 C 0.21992(15) 0.59234(13) 0.95893(9) 0.0267(4) Uani 1 1 d . . .
C20 C 0.23290(18) 0.52163(15) 1.00176(11) 0.0383(5) Uani 1 1 d . . .
H20A H 0.1746 0.5100 1.0203 0.057 Uiso 1 1 calc R . .
H20B H 0.2802 0.5355 1.0334 0.057 Uiso 1 1 calc R . .
H20C H 0.2523 0.4732 0.9795 0.057 Uiso 1 1 calc R . .
C21 C 0.29175(14) 0.64438(12) 0.93952(9) 0.0232(4) Uani 1 1 d . . .
C22 C 0.39264(15) 0.63295(14) 0.95438(10) 0.0300(5) Uani 1 1 d . . .
H22A H 0.4015 0.5990 0.9908 0.045 Uiso 1 1 calc R . .
H22B H 0.4217 0.6866 0.9616 0.045 Uiso 1 1 calc R . .
H22C H 0.4207 0.6058 0.9204 0.045 Uiso 1 1 calc R . .
C23 C 0.25209(13) 0.69762(12) 0.89216(8) 0.0212(4) Uani 1 1 d . . .
C24 C 0.30107(14) 0.75830(12) 0.85883(8) 0.0227(4) Uani 1 1 d . . .
H24A H 0.2719 0.7688 0.8180 0.027 Uiso 1 1 calc R . .
H24B H 0.3670 0.7446 0.8559 0.027 Uiso 1 1 calc R . .
C25 C 0.15440(14) 0.68031(12) 0.88623(9) 0.0231(4) Uani 1 1 d . . .
C26 C 0.08810(16) 0.71569(14) 0.83949(10) 0.0320(5) Uani 1 1 d . . .
H26A H 0.1078 0.7712 0.8292 0.048 Uiso 1 1 calc R . .
H26B H 0.0265 0.7179 0.8554 0.048 Uiso 1 1 calc R . .
H26C H 0.0864 0.6812 0.8031 0.048 Uiso 1 1 calc R . .
C27 C 0.07097(15) 0.77709(14) 0.98856(9) 0.0287(5) Uani 1 1 d . . .
C28 C 0.19767(15) 0.70104(15) 1.06670(10) 0.0306(5) Uani 1 1 d . . .
C29 C 0.15760(14) 0.94097(13) 0.88407(9) 0.0253(4) Uani 1 1 d . . .
C30 C 0.05575(14) 0.93022(14) 0.87169(11) 0.0335(5) Uani 1 1 d . . .
H30A H 0.0263 0.9842 0.8675 0.050 Uiso 1 1 calc R . .
H30B H 0.0300 0.9005 0.9054 0.050 Uiso 1 1 calc R . .
H30C H 0.0444 0.8990 0.8341 0.050 Uiso 1 1 calc R . .
C31 C 0.19852(14) 0.97580(12) 0.93875(9) 0.0246(4) Uani 1 1 d . . .
C32 C 0.14747(16) 1.00143(15) 0.99265(10) 0.0334(5) Uani 1 1 d . . .
H32A H 0.1225 1.0567 0.9860 0.050 Uiso 1 1 calc R . .
H32B H 0.1897 1.0014 1.0288 0.050 Uiso 1 1 calc R . .
H32C H 0.0969 0.9630 0.9984 0.050 Uiso 1 1 calc R . .
C33 C 0.29315(14) 0.99290(12) 0.92946(9) 0.0239(4) Uani 1 1 d . . .
C34 C 0.35822(15) 1.03669(13) 0.97338(10) 0.0299(5) Uani 1 1 d . . .
H34A H 0.3425 1.0951 0.9740 0.045 Uiso 1 1 calc R . .
H34B H 0.4215 1.0301 0.9609 0.045 Uiso 1 1 calc R . .
H34C H 0.3533 1.0134 1.0140 0.045 Uiso 1 1 calc R . .
C35 C 0.31083(14) 0.96675(12) 0.86843(9) 0.0242(4) Uani 1 1 d . . .
C36 C 0.39830(15) 0.98003(14) 0.83703(10) 0.0324(5) Uani 1 1 d . . .
H36A H 0.4086 0.9337 0.8100 0.049 Uiso 1 1 calc R . .
H36B H 0.4501 0.9843 0.8672 0.049 Uiso 1 1 calc R . .
H36C H 0.3935 1.0308 0.8133 0.049 Uiso 1 1 calc R . .
C37 C 0.22589(14) 0.93669(12) 0.84085(9) 0.0254(4) Uani 1 1 d . . .
C38 C 0.20997(17) 0.91396(14) 0.77544(9) 0.0334(5) Uani 1 1 d . . .
H38A H 0.1656 0.8687 0.7717 0.050 Uiso 1 1 calc R . .
H38B H 0.2684 0.8968 0.7593 0.050 Uiso 1 1 calc R . .
H38C H 0.1856 0.9615 0.7526 0.050 Uiso 1 1 calc R . .
C39 C 0.40401(15) 0.84489(13) 0.94687(9) 0.0263(4) Uani 1 1 d . . .
C40 C 0.25826(14) 0.83265(13) 1.01009(9) 0.0260(4) Uani 1 1 d . . .
F10 F 0.09840(11) 0.17962(10) 0.43445(7) 0.0510(4) Uani 1 1 d . . .
F11 F 0.22847(11) 0.14775(10) 0.39880(7) 0.0505(4) Uani 1 1 d . . .
F12 F 0.20628(11) 0.26963(11) 0.43216(6) 0.0514(4) Uani 1 1 d . . .
F13 F -0.02308(10) 0.18357(12) 0.33381(8) 0.0618(5) Uani 1 1 d . . .
F14 F 0.04902(10) 0.17825(11) 0.25131(7) 0.0510(4) Uani 1 1 d . . .
F15 F 0.08484(11) 0.09516(9) 0.32402(8) 0.0523(4) Uani 1 1 d . . .
F16 F 0.03099(10) 0.32757(10) 0.38603(6) 0.0474(4) Uani 1 1 d . . .
F17 F 0.14978(11) 0.37903(9) 0.34630(7) 0.0477(4) Uani 1 1 d . . .
F18 F 0.03588(10) 0.33695(10) 0.28937(6) 0.0484(4) Uani 1 1 d . . .
F19 F 0.61375(9) 0.26253(10) 0.30460(7) 0.0432(4) Uani 1 1 d . . .
F20 F 0.52478(9) 0.20612(9) 0.23517(6) 0.0353(3) Uani 1 1 d . . .
F21 F 0.49031(9) 0.32451(8) 0.27039(6) 0.0369(3) Uani 1 1 d . . .
F22 F 0.59374(10) 0.16767(13) 0.40260(7) 0.0639(5) Uani 1 1 d . . .
F23 F 0.47483(10) 0.08837(10) 0.39503(7) 0.0486(4) Uani 1 1 d . . .
F24 F 0.56668(10) 0.09388(10) 0.32225(8) 0.0545(4) Uani 1 1 d . . .
F25 F 0.51707(11) 0.32192(11) 0.39902(7) 0.0570(5) Uani 1 1 d . . .
F26 F 0.37659(10) 0.32136(9) 0.36329(7) 0.0450(4) Uani 1 1 d . . .
F27 F 0.41971(11) 0.23605(11) 0.43336(6) 0.0525(4) Uani 1 1 d . . .
O1 O 0.24762(9) 0.09366(8) 0.24534(6) 0.0224(3) Uani 1 1 d D . .
O2 O 0.20338(9) 0.24101(9) 0.30051(6) 0.0222(3) Uani 1 1 d . . .
O3 O 0.38956(9) 0.17656(9) 0.30913(6) 0.0216(3) Uani 1 1 d . . .
O4 O 0.31471(9) 0.24871(9) 0.20189(6) 0.0229(3) Uani 1 1 d D . .
O5 O -0.00072(11) 0.80518(11) 0.98924(7) 0.0387(4) Uani 1 1 d . . .
O6 O 0.20412(12) 0.68521(13) 1.11691(7) 0.0468(5) Uani 1 1 d . . .
O7 O 0.48076(10) 0.84657(11) 0.96080(8) 0.0376(4) Uani 1 1 d . . .
O8 O 0.27405(13) 0.86362(10) 1.05705(7) 0.0381(4) Uani 1 1 d . . .
Ru1 Ru 0.185870(10) 0.723167(10) 0.981799(7) 0.02085(5) Uani 1 1 d . . .
Ru2 Ru 0.279271(10) 0.858795(9) 0.922520(6) 0.01872(5) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C13 O4 1.355(3) . ?
C13 C15 1.551(3) . ?
C13 C16 1.553(3) . ?
C13 C14 1.553(3) . ?
C14 F30 1.328(3) . ?
C14 F29 1.334(4) . ?
C14 F28 1.337(3) . ?
C15 F33 1.320(4) . ?
C15 F32 1.332(4) . ?
C15 F31 1.341(3) . ?
C16 F36 1.324(4) . ?
C16 F35 1.324(4) . ?
C16 F34 1.339(4) . ?
C13' O4 1.359(15) . ?
C13' C16' 1.536(14) . ?
C13' C15' 1.543(14) . ?
C13' C14' 1.549(14) . ?
C14' F29' 1.321(13) . ?
C14' F30' 1.334(13) . ?
C14' F28' 1.338(13) . ?
C15' F33' 1.322(13) . ?
C15' F31' 1.328(13) . ?
C15' F32' 1.332(13) . ?
C16' F35' 1.327(13) . ?
C16' F34' 1.328(13) . ?
C16' F36' 1.337(13) . ?
C1 O1 1.357(5) . ?
C1 C4 1.545(6) . ?
C1 C2 1.546(7) . ?
C1 C3 1.563(6) . ?
C2 F2 1.330(7) . ?
C2 F3 1.334(7) . ?
C2 F1 1.336(7) . ?
C3 F5 1.321(5) . ?
C3 F6 1.333(5) . ?
C3 F4 1.349(5) . ?
C4 F8 1.321(5) . ?
C4 F9 1.333(6) . ?
C4 F7 1.336(6) . ?
C1' O1 1.371(9) . ?
C1' C4' 1.542(9) . ?
C1' C2' 1.546(10) . ?
C1' C3' 1.549(10) . ?
C2' F3' 1.324(10) . ?
C2' F2' 1.325(10) . ?
C2' F1' 1.341(10) . ?
C3' F4' 1.324(9) . ?
C3' F5' 1.334(9) . ?
C3' F6' 1.342(8) . ?
C4' F8' 1.313(9) . ?
C4' F9' 1.340(8) . ?
C4' F7' 1.344(8) . ?
Al1 O4 1.7269(14) . ?
Al1 O3 1.7289(14) . ?
Al1 O1 1.7319(14) . ?
Al1 O2 1.7362(14) . ?
C5 O2 1.347(2) . ?
C5 C6 1.552(3) . ?
C5 C7 1.555(3) . ?
C5 C8 1.559(3) . ?
C6 F12 1.330(3) . ?
C6 F11 1.331(3) . ?
C6 F10 1.336(3) . ?
C7 F14 1.326(3) . ?
C7 F15 1.331(3) . ?
C7 F13 1.342(3) . ?
C8 F17 1.321(3) . ?
C8 F18 1.331(3) . ?
C8 F16 1.342(3) . ?
C9 O3 1.355(2) . ?
C9 C11 1.550(3) . ?
C9 C10 1.554(3) . ?
C9 C12 1.558(3) . ?
C10 F21 1.333(3) . ?
C10 F20 1.334(3) . ?
C10 F19 1.338(2) . ?
C11 F23 1.328(3) . ?
C11 F24 1.333(3) . ?
C11 F22 1.350(3) . ?
C12 F26 1.326(3) . ?
C12 F27 1.336(3) . ?
C12 F25 1.337(3) . ?
C17 C19 1.434(3) . ?
C17 C25 1.435(3) . ?
C17 C18 1.498(3) . ?
C17 Ru1 2.253(2) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C21 1.429(3) . ?
C19 C20 1.497(3) . ?
C19 Ru1 2.253(2) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C23 1.454(3) . ?
C21 C22 1.496(3) . ?
C21 Ru1 2.247(2) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.445(3) . ?
C23 C25 1.446(3) . ?
C23 Ru1 2.2891(19) . ?
C24 Ru2 2.1944(19) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.489(3) . ?
C25 Ru1 2.2478(19) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 O5 1.139(3) . ?
C27 Ru1 1.900(2) . ?
C28 O6 1.138(3) . ?
C28 Ru1 1.909(2) . ?
C29 C37 1.417(3) . ?
C29 C31 1.434(3) . ?
C29 C30 1.500(3) . ?
C29 Ru2 2.3395(19) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C33 1.429(3) . ?
C31 C32 1.498(3) . ?
C31 Ru2 2.278(2) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C35 1.451(3) . ?
C33 C34 1.498(3) . ?
C33 Ru2 2.200(2) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C37 1.432(3) . ?
C35 C36 1.498(3) . ?
C35 Ru2 2.190(2) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.498(3) . ?
C37 Ru2 2.3056(19) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 O7 1.141(3) . ?
C39 Ru2 1.875(2) . ?
C40 O8 1.165(2) . ?
C40 Ru2 2.022(2) . ?
C40 Ru1 2.147(2) . ?
Ru1 Ru2 2.9403(3) . ?

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
O4 C13 C15 111.11(18) . . ?
O4 C13 C16 107.98(19) . . ?
C15 C13 C16 109.1(2) . . ?
O4 C13 C14 110.6(2) . . ?
C15 C13 C14 108.5(2) . . ?
C16 C13 C14 109.5(2) . . ?
F30 C14 F29 107.7(3) . . ?
F30 C14 F28 107.1(2) . . ?
F29 C14 F28 107.9(3) . . ?
F30 C14 C13 111.2(2) . . ?
F29 C14 C13 110.5(2) . . ?
F28 C14 C13 112.4(2) . . ?
F33 C15 F32 107.6(3) . . ?
F33 C15 F31 106.7(2) . . ?
F32 C15 F31 107.6(3) . . ?
F33 C15 C13 112.1(2) . . ?
F32 C15 C13 109.9(2) . . ?
F31 C15 C13 112.6(2) . . ?
F36 C16 F35 108.2(3) . . ?
F36 C16 F34 107.2(3) . . ?
F35 C16 F34 107.6(3) . . ?
F36 C16 C13 111.4(2) . . ?
F35 C16 C13 109.9(3) . . ?
F34 C16 C13 112.3(3) . . ?
O4 C13' C16' 110.1(10) . . ?
O4 C13' C15' 108.7(10) . . ?
C16' C13' C15' 111.0(10) . . ?
O4 C13' C14' 108.0(10) . . ?
C16' C13' C14' 110.1(10) . . ?
C15' C13' C14' 108.9(9) . . ?
F29' C14' F30' 109.6(13) . . ?
F29' C14' F28' 108.6(13) . . ?
F30' C14' F28' 106.9(12) . . ?
F29' C14' C13' 111.8(13) . . ?
F30' C14' C13' 109.4(10) . . ?
F28' C14' C13' 110.5(12) . . ?
F33' C15' F31' 106.9(12) . . ?
F33' C15' F32' 107.8(13) . . ?
F31' C15' F32' 107.2(13) . . ?
F33' C15' C13' 110.8(11) . . ?
F31' C15' C13' 112.5(12) . . ?
F32' C15' C13' 111.4(13) . . ?
F35' C16' F34' 107.7(13) . . ?
F35' C16' F36' 107.4(13) . . ?
F34' C16' F36' 107.4(12) . . ?
F35' C16' C13' 111.9(13) . . ?
F34' C16' C13' 112.0(12) . . ?
F36' C16' C13' 110.1(10) . . ?
O1 C1 C4 107.2(4) . . ?
O1 C1 C2 109.1(4) . . ?
C4 C1 C2 109.5(4) . . ?
O1 C1 C3 113.2(4) . . ?
C4 C1 C3 108.6(4) . . ?
C2 C1 C3 109.1(4) . . ?
F2 C2 F3 106.7(5) . . ?
F2 C2 F1 108.7(6) . . ?
F3 C2 F1 106.6(6) . . ?
F2 C2 C1 110.8(5) . . ?
F3 C2 C1 110.6(5) . . ?
F1 C2 C1 113.3(6) . . ?
F5 C3 F6 108.2(4) . . ?
F5 C3 F4 107.7(4) . . ?
F6 C3 F4 106.9(4) . . ?
F5 C3 C1 110.7(4) . . ?
F6 C3 C1 111.3(4) . . ?
F4 C3 C1 112.0(4) . . ?
F8 C4 F9 106.9(4) . . ?
F8 C4 F7 108.0(4) . . ?
F9 C4 F7 107.5(4) . . ?
F8 C4 C1 110.5(4) . . ?
F9 C4 C1 110.3(4) . . ?
F7 C4 C1 113.3(4) . . ?
O1 C1' C4' 108.8(6) . . ?
O1 C1' C2' 111.2(6) . . ?
C4' C1' C2' 109.9(6) . . ?
O1 C1' C3' 106.5(6) . . ?
C4' C1' C3' 110.7(6) . . ?
C2' C1' C3' 109.6(6) . . ?
F3' C2' F2' 107.6(8) . . ?
F3' C2' F1' 107.5(9) . . ?
F2' C2' F1' 107.1(9) . . ?
F3' C2' C1' 111.3(7) . . ?
F2' C2' C1' 110.2(8) . . ?
F1' C2' C1' 112.9(8) . . ?
F4' C3' F5' 107.9(7) . . ?
F4' C3' F6' 108.3(7) . . ?
F5' C3' F6' 108.5(7) . . ?
F4' C3' C1' 111.9(7) . . ?
F5' C3' C1' 109.8(6) . . ?
F6' C3' C1' 110.2(7) . . ?
F8' C4' F9' 107.3(7) . . ?
F8' C4' F7' 108.7(6) . . ?
F9' C4' F7' 107.3(6) . . ?
F8' C4' C1' 111.5(6) . . ?
F9' C4' C1' 109.8(6) . . ?
F7' C4' C1' 112.0(7) . . ?
O4 Al1 O3 108.80(7) . . ?
O4 Al1 O1 113.47(7) . . ?
O3 Al1 O1 107.02(7) . . ?
O4 Al1 O2 107.31(7) . . ?
O3 Al1 O2 113.52(7) . . ?
O1 Al1 O2 106.84(7) . . ?
O2 C5 C6 111.14(17) . . ?
O2 C5 C7 111.09(17) . . ?
C6 C5 C7 109.14(19) . . ?
O2 C5 C8 107.22(17) . . ?
C6 C5 C8 109.32(17) . . ?
C7 C5 C8 108.87(18) . . ?
F12 C6 F11 107.7(2) . . ?
F12 C6 F10 107.44(19) . . ?
F11 C6 F10 107.52(19) . . ?
F12 C6 C5 110.94(19) . . ?
F11 C6 C5 110.05(18) . . ?
F10 C6 C5 112.94(19) . . ?
F14 C7 F15 107.5(2) . . ?
F14 C7 F13 107.8(2) . . ?
F15 C7 F13 107.0(2) . . ?
F14 C7 C5 110.8(2) . . ?
F15 C7 C5 111.3(2) . . ?
F13 C7 C5 112.1(2) . . ?
F17 C8 F18 107.3(2) . . ?
F17 C8 F16 107.72(19) . . ?
F18 C8 F16 106.89(18) . . ?
F17 C8 C5 111.00(18) . . ?
F18 C8 C5 111.17(18) . . ?
F16 C8 C5 112.52(19) . . ?
O3 C9 C11 107.95(18) . . ?
O3 C9 C10 111.31(16) . . ?
C11 C9 C10 108.88(18) . . ?
O3 C9 C12 109.77(17) . . ?
C11 C9 C12 109.72(19) . . ?
C10 C9 C12 109.18(18) . . ?
F21 C10 F20 107.45(17) . . ?
F21 C10 F19 107.77(18) . . ?
F20 C10 F19 107.55(18) . . ?
F21 C10 C9 110.89(18) . . ?
F20 C10 C9 110.64(17) . . ?
F19 C10 C9 112.34(17) . . ?
F23 C11 F24 107.7(2) . . ?
F23 C11 F22 107.24(19) . . ?
F24 C11 F22 107.4(2) . . ?
F23 C11 C9 111.62(19) . . ?
F24 C11 C9 111.28(19) . . ?
F22 C11 C9 111.3(2) . . ?
F26 C12 F27 107.6(2) . . ?
F26 C12 F25 107.5(2) . . ?
F27 C12 F25 107.69(18) . . ?
F26 C12 C9 110.60(18) . . ?
F27 C12 C9 110.6(2) . . ?
F25 C12 C9 112.6(2) . . ?
C19 C17 C25 107.84(18) . . ?
C19 C17 C18 126.2(2) . . ?
C25 C17 C18 125.63(19) . . ?
C19 C17 Ru1 71.45(12) . . ?
C25 C17 Ru1 71.23(11) . . ?
C18 C17 Ru1 128.35(16) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C21 C19 C17 108.82(17) . . ?
C21 C19 C20 125.4(2) . . ?
C17 C19 C20 125.6(2) . . ?
C21 C19 Ru1 71.27(11) . . ?
C17 C19 Ru1 71.44(12) . . ?
C20 C19 Ru1 127.47(15) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 C23 107.69(18) . . ?
C19 C21 C22 125.68(18) . . ?
C23 C21 C22 125.20(18) . . ?
C19 C21 Ru1 71.69(12) . . ?
C23 C21 Ru1 72.87(11) . . ?
C22 C21 Ru1 131.69(14) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 C25 126.62(18) . . ?
C24 C23 C21 126.11(18) . . ?
C25 C23 C21 107.24(17) . . ?
C24 C23 Ru1 124.06(13) . . ?
C25 C23 Ru1 69.87(11) . . ?
C21 C23 Ru1 69.76(11) . . ?
C23 C24 Ru2 95.21(12) . . ?
C23 C24 H24A 112.7 . . ?
Ru2 C24 H24A 112.7 . . ?
C23 C24 H24B 112.7 . . ?
Ru2 C24 H24B 112.7 . . ?
H24A C24 H24B 110.2 . . ?
C17 C25 C23 108.29(17) . . ?
C17 C25 C26 125.54(18) . . ?
C23 C25 C26 125.53(19) . . ?
C17 C25 Ru1 71.60(11) . . ?
C23 C25 Ru1 72.97(10) . . ?
C26 C25 Ru1 128.42(15) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O5 C27 Ru1 174.6(2) . . ?
O6 C28 Ru1 177.8(2) . . ?
C37 C29 C31 108.35(18) . . ?
C37 C29 C30 126.30(19) . . ?
C31 C29 C30 123.9(2) . . ?
C37 C29 Ru2 70.93(11) . . ?
C31 C29 Ru2 69.59(11) . . ?
C30 C29 Ru2 135.82(15) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C33 C31 C29 108.23(18) . . ?
C33 C31 C32 125.68(18) . . ?
C29 C31 C32 125.49(19) . . ?
C33 C31 Ru2 68.43(11) . . ?
C29 C31 Ru2 74.26(11) . . ?
C32 C31 Ru2 129.88(15) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 C35 107.35(17) . . ?
C31 C33 C34 125.26(19) . . ?
C35 C33 C34 127.18(19) . . ?
C31 C33 Ru2 74.39(12) . . ?
C35 C33 Ru2 70.35(11) . . ?
C34 C33 Ru2 124.81(14) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C37 C35 C33 107.63(17) . . ?
C37 C35 C36 125.85(19) . . ?
C33 C35 C36 125.98(18) . . ?
C37 C35 Ru2 75.86(12) . . ?
C33 C35 Ru2 71.04(11) . . ?
C36 C35 Ru2 125.32(15) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C29 C37 C35 108.39(17) . . ?
C29 C37 C38 125.94(19) . . ?
C35 C37 C38 125.32(19) . . ?
C29 C37 Ru2 73.55(11) . . ?
C35 C37 Ru2 67.11(11) . . ?
C38 C37 Ru2 130.28(15) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O7 C39 Ru2 171.60(19) . . ?
O8 C40 Ru2 136.78(18) . . ?
O8 C40 Ru1 133.49(17) . . ?
Ru2 C40 Ru1 89.66(8) . . ?
C1 O1 C1' 9.2(4) . . ?
C1 O1 Al1 142.2(2) . . ?
C1' O1 Al1 146.8(3) . . ?
C5 O2 Al1 146.73(14) . . ?
C9 O3 Al1 148.13(14) . . ?
C13 O4 C13' 6.6(7) . . ?
C13 O4 Al1 148.89(14) . . ?
C13' O4 Al1 155.4(6) . . ?
C27 Ru1 C28 92.34(9) . . ?
C27 Ru1 C40 90.63(9) . . ?
C28 Ru1 C40 81.67(9) . . ?
C27 Ru1 C21 157.23(8) . . ?
C28 Ru1 C21 105.96(8) . . ?
C40 Ru1 C21 105.10(8) . . ?
C27 Ru1 C25 94.84(8) . . ?
C28 Ru1 C25 150.17(9) . . ?
C40 Ru1 C25 127.06(7) . . ?
C21 Ru1 C25 62.57(7) . . ?
C27 Ru1 C17 98.33(9) . . ?
C28 Ru1 C17 113.10(9) . . ?
C40 Ru1 C17 162.19(8) . . ?
C21 Ru1 C17 62.31(8) . . ?
C25 Ru1 C17 37.18(7) . . ?
C27 Ru1 C19 131.34(9) . . ?
C28 Ru1 C19 91.89(9) . . ?
C40 Ru1 C19 137.90(8) . . ?
C21 Ru1 C19 37.04(7) . . ?
C25 Ru1 C19 62.00(7) . . ?
C17 Ru1 C19 37.11(8) . . ?
C27 Ru1 C23 124.48(8) . . ?
C28 Ru1 C23 142.90(8) . . ?
C40 Ru1 C23 100.40(7) . . ?
C21 Ru1 C23 37.37(7) . . ?
C25 Ru1 C23 37.15(7) . . ?
C17 Ru1 C23 61.86(7) . . ?
C19 Ru1 C23 61.66(7) . . ?
C27 Ru1 Ru2 96.71(7) . . ?
C28 Ru1 Ru2 124.19(7) . . ?
C40 Ru1 Ru2 43.45(5) . . ?
C21 Ru1 Ru2 84.28(5) . . ?
C25 Ru1 Ru2 83.65(5) . . ?
C17 Ru1 Ru2 119.70(5) . . ?
C19 Ru1 Ru2 119.93(5) . . ?
C23 Ru1 Ru2 61.58(5) . . ?
C39 Ru2 C40 83.98(9) . . ?
C39 Ru2 C35 91.45(8) . . ?
C40 Ru2 C35 137.68(8) . . ?
C39 Ru2 C24 85.52(8) . . ?
C40 Ru2 C24 119.47(8) . . ?
C35 Ru2 C24 101.96(7) . . ?
C39 Ru2 C33 90.96(8) . . ?
C40 Ru2 C33 99.26(8) . . ?
C35 Ru2 C33 38.61(7) . . ?
C24 Ru2 C33 140.40(7) . . ?
C39 Ru2 C31 123.65(8) . . ?
C40 Ru2 C31 85.35(8) . . ?
C35 Ru2 C31 62.55(7) . . ?
C24 Ru2 C31 145.09(7) . . ?
C33 Ru2 C31 37.17(7) . . ?
C39 Ru2 C37 124.65(8) . . ?
C40 Ru2 C37 143.46(8) . . ?
C35 Ru2 C37 37.03(7) . . ?
C24 Ru2 C37 87.88(7) . . ?
C33 Ru2 C37 62.15(7) . . ?
C31 Ru2 C37 60.57(7) . . ?
C39 Ru2 C29 150.69(8) . . ?
C40 Ru2 C29 108.47(8) . . ?
C35 Ru2 C29 61.24(7) . . ?
C24 Ru2 C29 109.12(7) . . ?
C33 Ru2 C29 61.37(7) . . ?
C31 Ru2 C29 36.15(7) . . ?
C37 Ru2 C29 35.52(8) . . ?
C39 Ru2 Ru1 104.12(6) . . ?
C40 Ru2 Ru1 46.89(6) . . ?
C35 Ru2 Ru1 164.42(5) . . ?
C24 Ru2 Ru1 79.14(5) . . ?
C33 Ru2 Ru1 139.36(5) . . ?
C31 Ru2 Ru1 107.73(5) . . ?
C37 Ru2 Ru1 128.29(5) . . ?
C29 Ru2 Ru1 103.53(5) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.61
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.549
_refine_diff_density_min         -0.667
_refine_diff_density_rms         0.084
