#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/96/7009636.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_7009636
loop_
_publ_author_name
'Bruce, Michael I.'
'Low, Paul J.'
'Zaitseva, Natasha N.'
'Kahlal, Samia'
'Halet, Jean-François'
'Skelton, Brian W.'
'White, Allan H.'
_publ_section_title
;
 Syntheses and reactions of some cluster complexes containing C4
 ligands with iron, ruthenium and cobalt carbonyls
;
_journal_issue                   17
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2939
_journal_paper_doi               10.1039/b002406f
_journal_year                    2000
_chemical_formula_sum            'C26 H6 Co2 O17 Ru3 W'
_chemical_formula_weight         1195.24
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111.73(4)
_cell_angle_beta                 98.27(4)
_cell_angle_gamma                97.96(4)
_cell_formula_units_Z            2
_cell_length_a                   21.830(11)
_cell_length_b                   9.293(4)
_cell_length_c                   8.991(5)
_cell_measurement_reflns_used    8
_cell_measurement_temperature    293
_cell_measurement_theta_max      14.3
_cell_measurement_theta_min      10.9
_cell_volume                     1639.9(16)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        xtal
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  xtal
_computing_structure_solution    xtal
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5744
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  3600
_diffrn_standards_number         10
_exptl_absorpt_coefficient_mu    5.902
_exptl_absorpt_correction_T_max  .49
_exptl_absorpt_correction_T_min  .16
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
 SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.421
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1116
_exptl_crystal_size_max          .55
_exptl_crystal_size_mid          .33
_exptl_crystal_size_min          .12
_reflns_threshold_expression     'F    >  .00 sig(F   )'
_cod_data_source_file            b002406f.txt
_cod_data_source_block           br551
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_original_formula_sum        'C26 H6 Co2 O17 Ru3 W1'
_cod_database_code               7009636
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 .63314(4) .46490(9) .35744(11) .0565(4) Uani ? ? 1.00000 ? ?
Co2 .64321(4) .16174(9) .16603(11) .0520(4) Uani ? ? .141(6) ? ?
Ru2 .64321(4) .16174(9) .16603(11) .0520(4) Uani ? ? .859(6) ? ?
Co3 .61431(6) .21606(14) .44598(18) .0589(7) Uani ? ? .859(6) ? ?
Ru3 .61431(6) .21606(14) .44598(18) .0589(7) Uani ? ? .141(6) ? ?
W4 .86884(2) .39707(3) .74522(4) .03622(17) Uani ? ? 1.00000 ? ?
Co5 .86788(5) .08580(11) .62900(14) .0387(5) Uani ? ? 1.00000 ? ?
Ru6 .85534(3) .19451(7) .39201(8) .0399(3) Uani ? ? 1.00000 ? ?
C11 .5556(6) .4982(13) .2577(19) .089(7) Uani ? ? 1.00000 ? ?
O11 .5094(5) .5128(12) .1952(16) .139(7) Uani ? ? 1.00000 ? ?
C12 .6386(5) .6330(14) .5613(18) .075(6) Uani ? ? 1.00000 ? ?
O12 .6453(5) .7298(12) .6895(13) .109(6) Uani ? ? 1.00000 ? ?
C13 .6826(6) .5824(12) .2704(15) .075(6) Uani ? ? 1.00000 ? ?
O13 .7164(5) .6526(10) .2234(13) .112(6) Uani ? ? 1.00000 ? ?
C21 .5697(6) .1601(13) .0294(15) .073(6) Uani ? ? 1.00000 ? ?
O21 .5250(4) .1539(10) -.0572(13) .108(5) Uani ? ? 1.00000 ? ?
C22 .6965(6) .1968(13) .0306(15) .074(6) Uani ? ? 1.00000 ? ?
O22 .7286(5) .2202(12) -.0500(12) .111(6) Uani ? ? 1.00000 ? ?
C23 .6366(6) -.0619(13) .0856(14) .076(6) Uani ? ? 1.00000 ? ?
O23 .6327(5) -.1959(10) .0448(12) .122(6) Uani ? ? 1.00000 ? ?
C31 .5377(6) .2324(17) .3806(17) .092(8) Uani ? ? 1.00000 ? ?
O31 .4859(5) .2323(15) .3384(17) .154(8) Uani ? ? 1.00000 ? ?
C32 .6255(6) .3202(15) .6666(18) .084(7) Uani ? ? 1.00000 ? ?
O32 .6296(5) .3860(13) .8049(14) .123(6) Uani ? ? 1.00000 ? ?
C33 .6010(6) .0163(15) .4264(18) .093(8) Uani ? ? 1.00000 ? ?
O33 .5902(6) -.1138(11) .4089(16) .154(8) Uani ? ? 1.00000 ? ?
C41 .9598(5) .3982(10) .7569(12) .056(5) Uani ? ? 1.00000 ? ?
O41 1.0138(3) .4073(8) .7638(11) .086(4) Uani ? ? 1.00000 ? ?
C42 .8789(5) .3113(9) .9159(11) .049(4) Uani ? ? 1.00000 ? ?
O42 .8852(4) .2799(8) 1.0277(9) .078(4) Uani ? ? 1.00000 ? ?
C51 .9391(5) .0629(10) .7331(13) .057(5) Uani ? ? 1.00000 ? ?
O51 .9827(4) .0491(9) .8109(11) .096(5) Uani ? ? 1.00000 ? ?
C52 .8078(5) -.0476(10) .6554(13) .058(5) Uani ? ? 1.00000 ? ?
O52 .7685(4) -.1335(9) .6620(12) .101(5) Uani ? ? 1.00000 ? ?
C53 .8758(5) -.0346(11) .4268(13) .061(5) Uani ? ? 1.00000 ? ?
O53 .8874(5) -.1479(9) .3365(10) .101(5) Uani ? ? 1.00000 ? ?
C61 .9421(5) .2544(12) .3881(14) .066(5) Uani ? ? 1.00000 ? ?
O61 .9928(4) .2907(10) .3840(12) .103(5) Uani ? ? 1.00000 ? ?
C62 .8289(6) .0442(11) .1658(13) .068(6) Uani ? ? 1.00000 ? ?
O62 .8118(5) -.0433(9) .0376(10) .110(5) Uani ? ? 1.00000 ? ?
C63 .8370(5) .3721(10) .3510(11) .050(4) Uani ? ? 1.00000 ? ?
O63 .8276(4) .4754(7) .3184(9) .072(4) Uani ? ? 1.00000 ? ?
C1 .6917(4) .3399(9) .4034(11) .046(4) Uani ? ? 1.00000 ? ?
C2 .7100(4) .2106(9) .3968(11) .043(4) Uani ? ? 1.00000 ? ?
C3 .7579(4) .1317(9) .4452(11) .040(4) Uani ? ? 1.00000 ? ?
C4 .8056(4) .2025(8) .5855(10) .035(3) Uani ? ? 1.00000 ? ?
C401 .8712(6) .6439(10) .7321(17) .071(6) Uani ? ? 1.00000 ? ?
C402 .8084(5) .5732(10) .7143(14) .067(5) Uani ? ? 1.00000 ? ?
C403 .8029(7) .5565(13) .863(2) .092(8) Uani ? ? 1.00000 ? ?
C404 .8641(14) .623(2) .963(2) .145(15) Uani ? ? 1.00000 ? ?
C405 .9007(7) .6710(13) .887(2) .116(8) Uani ? ? 1.00000 ? ?
H2 .747(4) .031(9) .410(11) .05(2) Uiso ? ? 1.00000 ? ?
H401 .88972 .66895 .65082 .08300 Uiso ? ? 1.00000 ? ?
H402 .77456 .54146 .61707 .08000 Uiso ? ? 1.00000 ? ?
H403 .76450 .50935 .88648 .11500 Uiso ? ? 1.00000 ? ?
H404 .87387 .62783 1.07218 .18500 Uiso ? ? 1.00000 ? ?
H405 .94505 .72044 .93296 .14400 Uiso ? ? 1.00000 ? ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C ? 0 52 .002014 .002014 'Int Tables Vol IV Tables 2.2B and 2.3.1'
O ? 0 34 .007996 .005981 'Int Tables Vol IV Tables 2.2B and 2.3.1'
H ? 0 12 0 0 'Int Tables Vol IV Tables 2.2B and 2.3.1'
Ru ? 0 6 -1.42 .835999 'Int Tables Vol IV Tables 2.2B and 2.3.1'
W ? 0 2 -1.421 6.872 'Int Tables Vol IV Tables 2.2B and 2.3.1'
Co ? 0 4 .299011 .973022 'Int Tables Vol IV Tables 2.2B and 2.3.1'
loop_
_diffrn_attenuator_code
_diffrn_attenuator_scale
? ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
4 11 8
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Co2 Ru1 Ru2 . . . .00(10) ?
Co2 Ru1 Co3 . . . 55.94(5) ?
Co2 Ru1 Ru3 . . . 55.94(5) ?
Co2 Ru1 C11 . . . 106.4(3) ?
Co2 Ru1 C12 . . . 152.8(5) ?
Co2 Ru1 C13 . . . 100.4(3) ?
Co2 Ru1 C1 . . . 51.1(2) ?
Ru2 Ru1 Co3 . . . 55.94(5) ?
Ru2 Ru1 Ru3 . . . 55.94(5) ?
Ru2 Ru1 C11 . . . 106.4(3) ?
Ru2 Ru1 C12 . . . 152.8(5) ?
Ru2 Ru1 C13 . . . 100.4(3) ?
Ru2 Ru1 C1 . . . 51.1(2) ?
Co3 Ru1 Ru3 . . . .00(7) ?
Co3 Ru1 C11 . . . 112.3(4) ?
Co3 Ru1 C12 . . . 99.8(5) ?
Co3 Ru1 C13 . . . 148.8(4) ?
Co3 Ru1 C1 . . . 49.6(3) ?
Ru3 Ru1 C11 . . . 112.3(4) ?
Ru3 Ru1 C12 . . . 99.8(5) ?
Ru3 Ru1 C13 . . . 148.8(4) ?
Ru3 Ru1 C1 . . . 49.6(3) ?
C11 Ru1 C12 . . . 93.6(5) ?
C11 Ru1 C13 . . . 92.8(6) ?
C11 Ru1 C1 . . . 155.5(4) ?
C12 Ru1 C13 . . . 96.7(6) ?
C12 Ru1 C1 . . . 105.1(5) ?
C13 Ru1 C1 . . . 100.4(5) ?
Ru1 Co2 Co3 . . . 60.97(6) ?
Ru1 Co2 Ru3 . . . 60.97(6) ?
Ru1 Co2 C21 . . . 84.8(3) ?
Ru1 Co2 C22 . . . 102.7(3) ?
Ru1 Co2 C23 . . . 161.0(4) ?
Ru1 Co2 C1 . . . 44.4(3) ?
Ru1 Co2 C2 . . . 78.4(2) ?
Co3 Co2 Ru3 . . . .00(7) ?
Co3 Co2 C21 . . . 105.3(4) ?
Co3 Co2 C22 . . . 152.8(3) ?
Co3 Co2 C23 . . . 100.5(4) ?
Co3 Co2 C1 . . . 51.1(3) ?
Co3 Co2 C2 . . . 54.2(2) ?
Ru3 Co2 C21 . . . 105.3(4) ?
Ru3 Co2 C22 . . . 152.8(3) ?
Ru3 Co2 C23 . . . 100.5(4) ?
Ru3 Co2 C1 . . . 51.1(3) ?
Ru3 Co2 C2 . . . 54.2(2) ?
C21 Co2 C22 . . . 93.8(6) ?
C21 Co2 C23 . . . 97.3(5) ?
C21 Co2 C1 . . . 128.8(4) ?
C21 Co2 C2 . . . 158.2(5) ?
C22 Co2 C23 . . . 96.1(5) ?
C22 Co2 C1 . . . 101.7(4) ?
C22 Co2 C2 . . . 103.3(4) ?
C23 Co2 C1 . . . 128.4(5) ?
C23 Co2 C2 . . . 94.3(4) ?
C1 Co2 C2 . . . 34.6(3) ?
Ru1 Ru2 Co3 . . . 60.97(6) ?
Ru1 Ru2 Ru3 . . . 60.97(6) ?
Ru1 Ru2 C21 . . . 84.8(3) ?
Ru1 Ru2 C22 . . . 102.7(3) ?
Ru1 Ru2 C23 . . . 161.0(4) ?
Ru1 Ru2 C1 . . . 44.4(3) ?
Ru1 Ru2 C2 . . . 78.4(2) ?
Co3 Ru2 Ru3 . . . .00(7) ?
Co3 Ru2 C21 . . . 105.3(4) ?
Co3 Ru2 C22 . . . 152.8(3) ?
Co3 Ru2 C23 . . . 100.5(4) ?
Co3 Ru2 C1 . . . 51.1(3) ?
Co3 Ru2 C2 . . . 54.2(2) ?
Ru3 Ru2 C21 . . . 105.3(4) ?
Ru3 Ru2 C22 . . . 152.8(3) ?
Ru3 Ru2 C23 . . . 100.5(4) ?
Ru3 Ru2 C1 . . . 51.1(3) ?
Ru3 Ru2 C2 . . . 54.2(2) ?
C21 Ru2 C22 . . . 93.8(6) ?
C21 Ru2 C23 . . . 97.3(5) ?
C21 Ru2 C1 . . . 128.8(4) ?
C21 Ru2 C2 . . . 158.2(5) ?
C22 Ru2 C23 . . . 96.1(5) ?
C22 Ru2 C1 . . . 101.7(4) ?
C22 Ru2 C2 . . . 103.3(4) ?
C23 Ru2 C1 . . . 128.4(5) ?
C23 Ru2 C2 . . . 94.3(4) ?
C1 Ru2 C2 . . . 34.6(3) ?
Ru1 Co3 Co2 . . . 63.09(6) ?
Ru1 Co3 Ru2 . . . 63.09(6) ?
Ru1 Co3 C31 . . . 77.1(6) ?
Ru1 Co3 C32 . . . 100.2(5) ?
Ru1 Co3 C33 . . . 158.9(5) ?
Ru1 Co3 C1 . . . 45.5(3) ?
Ru1 Co3 C2 . . . 79.8(3) ?
Co2 Co3 Ru2 . . . .00000 ?
Co2 Co3 C31 . . . 93.9(5) ?
Co2 Co3 C32 . . . 154.5(5) ?
Co2 Co3 C33 . . . 96.5(5) ?
Co2 Co3 C1 . . . 54.2(2) ?
Co2 Co3 C2 . . . 54.6(2) ?
Ru2 Co3 C31 . . . 93.9(5) ?
Ru2 Co3 C32 . . . 154.5(5) ?
Ru2 Co3 C33 . . . 96.5(5) ?
Ru2 Co3 C1 . . . 54.2(2) ?
Ru2 Co3 C2 . . . 54.6(2) ?
C31 Co3 C32 . . . 101.2(6) ?
C31 Co3 C33 . . . 100.7(7) ?
C31 Co3 C1 . . . 121.3(6) ?
C31 Co3 C2 . . . 147.2(6) ?
C32 Co3 C33 . . . 100.7(7) ?
C32 Co3 C1 . . . 100.3(5) ?
C32 Co3 C2 . . . 105.6(5) ?
C33 Co3 C1 . . . 127.5(5) ?
C33 Co3 C2 . . . 92.6(5) ?
C1 Co3 C2 . . . 35.3(3) ?
Ru1 Ru3 Co2 . . . 63.09(6) ?
Ru1 Ru3 Ru2 . . . 63.09(6) ?
Ru1 Ru3 C31 . . . 77.1(6) ?
Ru1 Ru3 C32 . . . 100.2(5) ?
Ru1 Ru3 C33 . . . 158.9(5) ?
Ru1 Ru3 C1 . . . 45.5(3) ?
Ru1 Ru3 C2 . . . 79.8(3) ?
Co2 Ru3 Ru2 . . . .00000 ?
Co2 Ru3 C31 . . . 93.9(5) ?
Co2 Ru3 C32 . . . 154.5(5) ?
Co2 Ru3 C33 . . . 96.5(5) ?
Co2 Ru3 C1 . . . 54.2(2) ?
Co2 Ru3 C2 . . . 54.6(2) ?
Ru2 Ru3 C31 . . . 93.9(5) ?
Ru2 Ru3 C32 . . . 154.5(5) ?
Ru2 Ru3 C33 . . . 96.5(5) ?
Ru2 Ru3 C1 . . . 54.2(2) ?
Ru2 Ru3 C2 . . . 54.6(2) ?
C31 Ru3 C32 . . . 101.2(6) ?
C31 Ru3 C33 . . . 100.7(7) ?
C31 Ru3 C1 . . . 121.3(6) ?
C31 Ru3 C2 . . . 147.2(6) ?
C32 Ru3 C33 . . . 100.7(7) ?
C32 Ru3 C1 . . . 100.3(5) ?
C32 Ru3 C2 . . . 105.6(5) ?
C33 Ru3 C1 . . . 127.5(5) ?
C33 Ru3 C2 . . . 92.6(5) ?
C1 Ru3 C2 . . . 35.3(3) ?
Co5 W4 Ru6 . . . 56.04(6) ?
Co5 W4 C41 . . . 78.8(2) ?
Co5 W4 C42 . . . 66.0(2) ?
Co5 W4 C4 . . . 46.0(2) ?
Co5 W4 C401 . . . 155.9(4) ?
Co5 W4 C402 . . . 140.9(2) ?
Co5 W4 C403 . . . 136.2(4) ?
Co5 W4 C404 . . . 148.0(5) ?
Co5 W4 C405 . . . 162.5(4) ?
Ru6 W4 C41 . . . 84.4(3) ?
Ru6 W4 C42 . . . 122.0(2) ?
Ru6 W4 C4 . . . 46.6(3) ?
Ru6 W4 C401 . . . 100.1(3) ?
Ru6 W4 C402 . . . 98.1(3) ?
Ru6 W4 C403 . . . 127.7(4) ?
Ru6 W4 C404 . . . 154.7(5) ?
Ru6 W4 C405 . . . 130.4(5) ?
C41 W4 C42 . . . 84.2(5) ?
C41 W4 C4 . . . 118.7(3) ?
C41 W4 C401 . . . 97.2(4) ?
C41 W4 C402 . . . 132.0(4) ?
C41 W4 C403 . . . 140.3(4) ?
C41 W4 C404 . . . 105.3(8) ?
C41 W4 C405 . . . 85.5(5) ?
C42 W4 C4 . . . 93.0(3) ?
C42 W4 C401 . . . 137.7(4) ?
C42 W4 C402 . . . 130.0(4) ?
C42 W4 C403 . . . 94.0(6) ?
C42 W4 C404 . . . 82.7(6) ?
C42 W4 C405 . . . 105.0(6) ?
C4 W4 C401 . . . 121.7(4) ?
C4 W4 C402 . . . 95.0(3) ?
C4 W4 C403 . . . 101.0(4) ?
C4 W4 C404 . . . 135.2(8) ?
C4 W4 C405 . . . 151.5(5) ?
C401 W4 C402 . . . 35.0(4) ?
C401 W4 C403 . . . 58.8(6) ?
C401 W4 C404 . . . 56.0(6) ?
C401 W4 C405 . . . 33.9(6) ?
C402 W4 C403 . . . 36.1(6) ?
C402 W4 C404 . . . 57.9(7) ?
C402 W4 C405 . . . 56.6(5) ?
C403 W4 C404 . . . 35.7(8) ?
C403 W4 C405 . . . 56.6(5) ?
C404 W4 C405 . . . 31.6(8) ?
W4 Co5 Ru6 . . . 67.57(6) ?
W4 Co5 C42 . . . 43.8(2) ?
W4 Co5 C51 . . . 106.9(2) ?
W4 Co5 C52 . . . 120.4(3) ?
W4 Co5 C53 . . . 126.1(4) ?
W4 Co5 C4 . . . 48.42(18) ?
Ru6 Co5 C42 . . . 111.4(2) ?
Ru6 Co5 C51 . . . 127.1(4) ?
Ru6 Co5 C52 . . . 124.9(4) ?
Ru6 Co5 C53 . . . 59.9(4) ?
Ru6 Co5 C4 . . . 53.1(3) ?
C42 Co5 C51 . . . 80.5(4) ?
C42 Co5 C52 . . . 95.0(4) ?
C42 Co5 C53 . . . 165.5(4) ?
C42 Co5 C4 . . . 77.6(3) ?
C51 Co5 C52 . . . 103.8(5) ?
C51 Co5 C53 . . . 95.8(5) ?
C51 Co5 C4 . . . 155.1(3) ?
C52 Co5 C53 . . . 99.5(5) ?
C52 Co5 C4 . . . 89.9(4) ?
C53 Co5 C4 . . . 102.5(4) ?
W4 Ru6 Co5 . . . 56.40(4) ?
W4 Ru6 C53 . . . 96.9(3) ?
W4 Ru6 C61 . . . 95.2(3) ?
W4 Ru6 C62 . . . 167.8(4) ?
W4 Ru6 C63 . . . 86.2(3) ?
W4 Ru6 C3 . . . 75.8(2) ?
W4 Ru6 C4 . . . 42.53(16) ?
Co5 Ru6 C53 . . . 41.2(3) ?
Co5 Ru6 C61 . . . 100.2(4) ?
Co5 Ru6 C62 . . . 119.0(4) ?
Co5 Ru6 C63 . . . 141.7(3) ?
Co5 Ru6 C3 . . . 70.7(3) ?
Co5 Ru6 C4 . . . 45.7(2) ?
C53 Ru6 C61 . . . 90.0(5) ?
C53 Ru6 C62 . . . 81.0(4) ?
C53 Ru6 C63 . . . 176.7(3) ?
C53 Ru6 C3 . . . 86.1(4) ?
C53 Ru6 C4 . . . 80.1(4) ?
C61 Ru6 C62 . . . 96.8(5) ?
C61 Ru6 C63 . . . 90.5(5) ?
C61 Ru6 C3 . . . 169.7(4) ?
C61 Ru6 C4 . . . 133.6(4) ?
C62 Ru6 C63 . . . 95.7(5) ?
C62 Ru6 C3 . . . 92.1(4) ?
C62 Ru6 C4 . . . 125.5(4) ?
C63 Ru6 C3 . . . 93.8(4) ?
C63 Ru6 C4 . . . 101.8(4) ?
C3 Ru6 C4 . . . 36.2(3) ?
Ru1 C11 O11 . . . 177.7(10) ?
Ru1 C12 O12 . . . 174.7(13) ?
Ru1 C13 O13 . . . 175.2(12) ?
Co2 C21 Ru2 . . . .00000 ?
Co2 C21 O21 . . . 177.6(10) ?
Ru2 C21 O21 . . . 177.6(10) ?
Co2 C22 Ru2 . . . .00000 ?
Co2 C22 O22 . . . 179.0(11) ?
Ru2 C22 O22 . . . 179.0(11) ?
Co2 C23 Ru2 . . . .00(7) ?
Co2 C23 O23 . . . 176.7(12) ?
Ru2 C23 O23 . . . 176.7(12) ?
Co3 C31 Ru3 . . . .00(15) ?
Co3 C31 O31 . . . 174.8(16) ?
Ru3 C31 O31 . . . 174.8(16) ?
Co3 C32 Ru3 . . . .00(7) ?
Co3 C32 O32 . . . 176.7(13) ?
Ru3 C32 O32 . . . 176.7(13) ?
Co3 C33 Ru3 . . . .00(7) ?
Co3 C33 O33 . . . 177.2(13) ?
Ru3 C33 O33 . . . 177.2(13) ?
W4 C41 O41 . . . 176.1(9) ?
W4 C42 Co5 . . . 70.2(3) ?
W4 C42 O42 . . . 171.8(7) ?
Co5 C42 O42 . . . 118.0(6) ?
Co5 C51 O51 . . . 174.3(11) ?
Co5 C52 O52 . . . 175.6(10) ?
Co5 C53 Ru6 . . . 78.9(4) ?
Co5 C53 O53 . . . 150.5(11) ?
Ru6 C53 O53 . . . 130.4(10) ?
Ru6 C61 O61 . . . 178.8(13) ?
Ru6 C62 O62 . . . 177.6(12) ?
Ru6 C63 O63 . . . 175.9(9) ?
Ru1 C1 Co2 . . . 84.5(3) ?
Ru1 C1 Ru2 . . . 84.5(3) ?
Ru1 C1 Co3 . . . 84.8(3) ?
Ru1 C1 Ru3 . . . 84.8(3) ?
Ru1 C1 C2 . . . 155.8(6) ?
Co2 C1 Ru2 . . . .00000 ?
Co2 C1 Co3 . . . 74.7(2) ?
Co2 C1 Ru3 . . . 74.7(2) ?
Co2 C1 C2 . . . 74.8(5) ?
Ru2 C1 Co3 . . . 74.7(2) ?
Ru2 C1 Ru3 . . . 74.7(2) ?
Ru2 C1 C2 . . . 74.8(5) ?
Co3 C1 Ru3 . . . .00(12) ?
Co3 C1 C2 . . . 77.7(6) ?
Ru3 C1 C2 . . . 77.7(6) ?
Co2 C2 Ru2 . . . .00(12) ?
Co2 C2 Co3 . . . 71.2(3) ?
Co2 C2 Ru3 . . . 71.2(3) ?
Co2 C2 C1 . . . 70.6(5) ?
Co2 C2 C3 . . . 134.4(5) ?
Ru2 C2 Co3 . . . 71.2(3) ?
Ru2 C2 Ru3 . . . 71.2(3) ?
Ru2 C2 C1 . . . 70.6(5) ?
Ru2 C2 C3 . . . 134.4(5) ?
Co3 C2 Ru3 . . . .00(12) ?
Co3 C2 C1 . . . 67.0(6) ?
Co3 C2 C3 . . . 130.1(7) ?
Ru3 C2 C1 . . . 67.0(6) ?
Ru3 C2 C3 . . . 130.1(7) ?
C1 C2 C3 . . . 150.1(7) ?
Ru6 C3 C2 . . . 115.3(7) ?
Ru6 C3 C4 . . . 66.9(5) ?
Ru6 C3 H2 . . . 109(6) ?
C2 C3 C4 . . . 124.4(7) ?
C2 C3 H2 . . . 115(6) ?
C4 C3 H2 . . . 115(6) ?
W4 C4 Co5 . . . 85.6(3) ?
W4 C4 Ru6 . . . 90.9(3) ?
W4 C4 C3 . . . 148.9(7) ?
Co5 C4 Ru6 . . . 81.2(3) ?
Co5 C4 C3 . . . 119.8(5) ?
Ru6 C4 C3 . . . 77.0(6) ?
W4 C401 C402 . . . 71.5(6) ?
W4 C401 C405 . . . 73.0(8) ?
W4 C401 H401 . . . 120.7(8) ?
C402 C401 C405 . . . 106.0(14) ?
C402 C401 H401 . . . 126.8(13) ?
C405 C401 H401 . . . 127.2(13) ?
W4 C402 C401 . . . 73.6(7) ?
W4 C402 C403 . . . 71.5(8) ?
W4 C402 H402 . . . 120.7(6) ?
C401 C402 C403 . . . 107.3(11) ?
C401 C402 H402 . . . 126.1(14) ?
C403 C402 H402 . . . 126.6(12) ?
W4 C403 C402 . . . 72.5(8) ?
W4 C403 C404 . . . 72.7(11) ?
W4 C403 H403 . . . 119.2(9) ?
C402 C403 C404 . . . 103.9(15) ?
C402 C403 H403 . . . 126.0(15) ?
C404 C403 H403 . . . 130(2) ?
W4 C404 C403 . . . 71.6(8) ?
W4 C404 C405 . . . 75.3(11) ?
W4 C404 H404 . . . 119.7(16) ?
C403 C404 C405 . . . 110.2(17) ?
C403 C404 H404 . . . 122(3) ?
C405 C404 H404 . . . 128(3) ?
W4 C405 C401 . . . 73.1(6) ?
W4 C405 C404 . . . 73.1(8) ?
W4 C405 H405 . . . 120.8(10) ?
C401 C405 C404 . . . 112.5(15) ?
C401 C405 H405 . . . 124(2) ?
C404 C405 H405 . . . 124(2) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 Co2 . . 2.7636(15) ?
Ru1 Ru2 . . 2.7636(15) ?
Ru1 Co3 . . 2.710(2) ?
Ru1 Ru3 . . 2.710(2) ?
Ru1 C11 . . 1.919(13) ?
Ru1 C12 . . 1.892(12) ?
Ru1 C13 . . 1.876(14) ?
Ru1 C1 . . 1.942(10) ?
Co2 Co3 . . 2.568(2) ?
Co2 Ru3 . . 2.568(2) ?
Co2 C21 . . 1.870(13) ?
Co2 C22 . . 1.881(14) ?
Co2 C23 . . 1.907(12) ?
Co2 C1 . . 2.160(7) ?
Co2 C2 . . 2.210(9) ?
Ru2 Co3 . . 2.568(2) ?
Ru2 Ru3 . . 2.568(2) ?
Ru2 C21 . . 1.870(13) ?
Ru2 C22 . . 1.881(14) ?
Ru2 C23 . . 1.907(12) ?
Ru2 C1 . . 2.160(7) ?
Ru2 C2 . . 2.210(9) ?
Co3 C31 . . 1.738(14) ?
Co3 C32 . . 1.818(15) ?
Co3 C33 . . 1.776(15) ?
Co3 C1 . . 2.073(10) ?
Co3 C2 . . 2.200(9) ?
Ru3 C31 . . 1.738(14) ?
Ru3 C32 . . 1.818(15) ?
Ru3 C33 . . 1.776(15) ?
Ru3 C1 . . 2.073(10) ?
Ru3 C2 . . 2.200(9) ?
W4 Co5 . . 2.6830(15) ?
W4 Ru6 . . 2.9776(16) ?
W4 C41 . . 1.972(11) ?
W4 C42 . . 1.974(11) ?
W4 C4 . . 2.013(6) ?
W4 C401 . . 2.333(12) ?
W4 C402 . . 2.307(11) ?
W4 C403 . . 2.294(16) ?
W4 C404 . . 2.307(17) ?
W4 C405 . . 2.332(10) ?
Co5 Ru6 . . 2.672(2) ?
Co5 C42 . . 2.604(8) ?
Co5 C51 . . 1.778(11) ?
Co5 C52 . . 1.781(11) ?
Co5 C53 . . 1.795(10) ?
Co5 C4 . . 1.936(9) ?
Ru6 C53 . . 2.355(11) ?
Ru6 C61 . . 1.907(12) ?
Ru6 C62 . . 1.938(10) ?
Ru6 C63 . . 1.901(11) ?
Ru6 C3 . . 2.292(9) ?
Ru6 C4 . . 2.163(9) ?
C11 O11 . . 1.132(18) ?
C12 O12 . . 1.143(16) ?
C13 O13 . . 1.144(18) ?
C21 O21 . . 1.137(16) ?
C22 O22 . . 1.132(18) ?
C23 O23 . . 1.148(15) ?
C31 O31 . . 1.140(17) ?
C32 O32 . . 1.149(18) ?
C33 O33 . . 1.145(18) ?
C41 O41 . . 1.161(13) ?
C42 O42 . . 1.142(14) ?
C51 O51 . . 1.148(14) ?
C52 O52 . . 1.113(14) ?
C53 O53 . . 1.154(12) ?
C61 O61 . . 1.123(15) ?
C62 O62 . . 1.108(12) ?
C63 O63 . . 1.138(13) ?
C1 C2 . . 1.301(13) ?
C2 C3 . . 1.462(13) ?
C3 C4 . . 1.388(10) ?
C3 H2 . . .86(8) ?
C401 C402 . . 1.394(16) ?
C401 C405 . . 1.36(2) ?
C401 H401 . . .969(16) ?
C402 C403 . . 1.42(3) ?
C402 H402 . . .980(11) ?
C403 C404 . . 1.41(3) ?
C403 H403 . . .976(18) ?
C404 C405 . . 1.26(3) ?
C404 H404 . . .957(18) ?
C405 H405 . . .970(14) ?
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
? ? ? ? ? ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?
