#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:48:41 +0100 (vie 25 de mar de 2016) $
#$Revision: 179765 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/61/7006168.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_7006168
loop_
_publ_author_name
'Cowley, Michael J.'
'Lynam, Jason M.'
'Whitwood, Adrian C.'
_publ_section_title
;
 Transition metal vinylidene complexes as supramolecular building
 blocks: nucleobase-mediated self-assembly of crystals with hexagonal
 symmetry.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4427
_journal_page_last               4438
_journal_paper_doi               10.1039/b709483c
_journal_year                    2007
_chemical_formula_moiety         'C47 H39 N2 O2 P2 Ru, F6 P'
_chemical_formula_sum            'C47 H39 F6 N2 O2 P3 Ru'
_chemical_formula_weight         971.78
_chemical_name_systematic
;
?
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            12
_cell_length_a                   28.3109(11)
_cell_length_b                   28.3109(11)
_cell_length_c                   24.9373(19)
_cell_measurement_reflns_used    7669
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      21.81
_cell_measurement_theta_min      2.18
_cell_volume                     17309.6(16)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0633
_diffrn_reflns_av_sigmaI/netI    0.0260
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            110577
_diffrn_reflns_theta_full        22.51
_diffrn_reflns_theta_max         22.51
_diffrn_reflns_theta_min         0.83
_exptl_absorpt_coefficient_mu    0.405
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.867
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2.03; (Sheldrick)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.119
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5928
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_platon_squeeze_details
;
;
_refine_diff_density_max         1.105
_refine_diff_density_min         -1.666
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         7777
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1126P)²+22.6269P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1760
_refine_ls_wR_factor_ref         0.1860
_reflns_number_gt                6088
_reflns_number_total             7777
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b709483c.txt
_cod_data_source_block           Ruuracilvinylidene
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P6(3)/m
_cod_database_code               7006168
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -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
Ru1 Ru 0.377728(19) 0.298822(17) 0.606503(16) 0.0460(2) Uani 1 1 d . . .
C1 C 0.4067(4) 0.3456(3) 0.6831(2) 0.078(2) Uani 1 1 d . . .
H1 H 0.4259 0.3844 0.6836 0.093 Uiso 1 1 calc R . .
C2 C 0.3506(4) 0.3129(3) 0.6858(2) 0.079(2) Uani 1 1 d . . .
H2 H 0.3249 0.3250 0.6877 0.094 Uiso 1 1 calc R . .
C3 C 0.3386(3) 0.2581(3) 0.6852(2) 0.0726(18) Uani 1 1 d . . .
H3 H 0.3033 0.2267 0.6873 0.087 Uiso 1 1 calc R . .
C4 C 0.3876(3) 0.2582(3) 0.6808(2) 0.076(2) Uani 1 1 d . . .
H4 H 0.3913 0.2267 0.6791 0.091 Uiso 1 1 calc R . .
C5 C 0.4310(3) 0.3127(3) 0.6793(2) 0.079(2) Uani 1 1 d . . .
H5 H 0.4688 0.3247 0.6765 0.095 Uiso 1 1 calc R . .
C6 C 0.3675(2) 0.2208(2) 0.4844(2) 0.0468(13) Uani 1 1 d . . .
C7 C 0.3201(2) 0.2203(2) 0.4689(2) 0.0514(13) Uani 1 1 d . . .
H7 H 0.3037 0.2342 0.4926 0.062 Uiso 1 1 calc R . .
C8 C 0.2964(3) 0.1998(2) 0.4195(3) 0.0675(17) Uani 1 1 d . . .
H8 H 0.2646 0.2008 0.4094 0.081 Uiso 1 1 calc R . .
C9 C 0.3179(4) 0.1786(3) 0.3856(3) 0.088(2) Uani 1 1 d . . .
H9 H 0.3011 0.1645 0.3519 0.106 Uiso 1 1 calc R . .
C10 C 0.3639(4) 0.1773(3) 0.3998(3) 0.088(2) Uani 1 1 d . . .
H10 H 0.3789 0.1620 0.3760 0.106 Uiso 1 1 calc R . .
C11 C 0.3889(3) 0.1981(2) 0.4489(2) 0.0631(16) Uani 1 1 d . . .
H11 H 0.4207 0.1969 0.4584 0.076 Uiso 1 1 calc R . .
C12 C 0.3679(2) 0.1721(2) 0.5804(2) 0.0476(13) Uani 1 1 d . . .
C13 C 0.3193(3) 0.1479(2) 0.6082(2) 0.0595(16) Uani 1 1 d . . .
H13 H 0.3019 0.1684 0.6158 0.071 Uiso 1 1 calc R . .
C14 C 0.2954(3) 0.0944(2) 0.6252(3) 0.0753(19) Uani 1 1 d . . .
H14 H 0.2618 0.0785 0.6442 0.090 Uiso 1 1 calc R . .
C15 C 0.3202(3) 0.0637(3) 0.6148(3) 0.0752(19) Uani 1 1 d . . .
H15 H 0.3039 0.0268 0.6264 0.090 Uiso 1 1 calc R . .
C16 C 0.3690(3) 0.0878(2) 0.5873(3) 0.0685(17) Uani 1 1 d . . .
H16 H 0.3866 0.0674 0.5802 0.082 Uiso 1 1 calc R . .
C17 C 0.3929(2) 0.1413(2) 0.5698(2) 0.0528(14) Uani 1 1 d . . .
H17 H 0.4263 0.1571 0.5506 0.063 Uiso 1 1 calc R . .
C18 C 0.4676(2) 0.2651(2) 0.5461(3) 0.0622(17) Uani 1 1 d . . .
C19 C 0.4954(3) 0.2611(3) 0.5892(4) 0.088(2) Uani 1 1 d . . .
H19 H 0.4757 0.2421 0.6203 0.106 Uiso 1 1 calc R . .
C20 C 0.5517(4) 0.2841(4) 0.5883(6) 0.142(5) Uani 1 1 d . . .
H20 H 0.5710 0.2806 0.6177 0.171 Uiso 1 1 calc R . .
C21 C 0.5790(4) 0.3131(4) 0.5416(8) 0.182(7) Uani 1 1 d . . .
H21 H 0.6177 0.3306 0.5407 0.218 Uiso 1 1 calc R . .
C22 C 0.5523(3) 0.3173(3) 0.4973(6) 0.143(5) Uani 1 1 d . . .
H22 H 0.5720 0.3361 0.4662 0.172 Uiso 1 1 calc R . .
C23 C 0.4955(3) 0.2932(2) 0.4992(3) 0.081(2) Uani 1 1 d . . .
H23 H 0.4760 0.2958 0.4695 0.098 Uiso 1 1 calc R . .
C24 C 0.3945(2) 0.42114(19) 0.5554(2) 0.0450(12) Uani 1 1 d . . .
C25 C 0.3674(2) 0.4250(2) 0.5997(2) 0.0584(15) Uani 1 1 d . . .
H25 H 0.3651 0.4052 0.6313 0.070 Uiso 1 1 calc R . .
C26 C 0.3433(3) 0.4576(2) 0.5984(3) 0.0654(17) Uani 1 1 d . . .
H26 H 0.3250 0.4602 0.6292 0.079 Uiso 1 1 calc R . .
C27 C 0.3462(2) 0.4859(2) 0.5528(3) 0.0607(16) Uani 1 1 d . . .
H27 H 0.3299 0.5081 0.5516 0.073 Uiso 1 1 calc R . .
C28 C 0.3728(2) 0.4816(2) 0.5089(3) 0.0544(15) Uani 1 1 d . . .
H28 H 0.3744 0.5008 0.4771 0.065 Uiso 1 1 calc R . .
C29 C 0.3971(2) 0.45020(19) 0.5099(2) 0.0448(12) Uani 1 1 d . . .
H29 H 0.4158 0.4484 0.4791 0.054 Uiso 1 1 calc R . .
C30 C 0.44381(19) 0.37677(19) 0.4873(2) 0.0413(12) Uani 1 1 d . . .
C31 C 0.4012(2) 0.34593(19) 0.4523(2) 0.0428(12) Uani 1 1 d . . .
H31 H 0.3647 0.3273 0.4650 0.051 Uiso 1 1 calc R . .
C32 C 0.4120(2) 0.3423(2) 0.3987(2) 0.0519(14) Uani 1 1 d . . .
H32 H 0.3828 0.3211 0.3749 0.062 Uiso 1 1 calc R . .
C33 C 0.4643(2) 0.3689(2) 0.3799(2) 0.0590(15) Uani 1 1 d . . .
H33 H 0.4716 0.3655 0.3434 0.071 Uiso 1 1 calc R . .
C34 C 0.5066(2) 0.4010(2) 0.4146(2) 0.0582(15) Uani 1 1 d . . .
H34 H 0.5429 0.4204 0.4013 0.070 Uiso 1 1 calc R . .
C35 C 0.4970(2) 0.4051(2) 0.4678(2) 0.0518(14) Uani 1 1 d . . .
H35 H 0.5264 0.4271 0.4912 0.062 Uiso 1 1 calc R . .
C36 C 0.4940(2) 0.4246(2) 0.5889(2) 0.0520(14) Uani 1 1 d . . .
C37 C 0.5291(3) 0.4052(3) 0.5988(3) 0.0748(19) Uani 1 1 d . . .
H37 H 0.5192 0.3692 0.5883 0.090 Uiso 1 1 calc R . .
C38 C 0.5791(3) 0.4380(3) 0.6243(3) 0.082(2) Uani 1 1 d . . .
H38 H 0.6033 0.4245 0.6306 0.099 Uiso 1 1 calc R . .
C39 C 0.5932(3) 0.4903(3) 0.6402(3) 0.083(2) Uani 1 1 d . . .
H39 H 0.6270 0.5128 0.6578 0.100 Uiso 1 1 calc R . .
C40 C 0.5583(3) 0.5092(3) 0.6306(2) 0.0716(18) Uani 1 1 d . . .
H40 H 0.5679 0.5449 0.6419 0.086 Uiso 1 1 calc R . .
C41 C 0.5094(2) 0.4778(2) 0.60486(19) 0.0527(14) Uani 1 1 d . . .
H41 H 0.4861 0.4922 0.5979 0.063 Uiso 1 1 calc R . .
C42 C 0.3157(2) 0.2906(2) 0.5731(2) 0.0476(13) Uani 1 1 d . . .
C43 C 0.2746(2) 0.2942(2) 0.5542(2) 0.0519(14) Uani 1 1 d . . .
H43 H 0.2798 0.3300 0.5530 0.062 Uiso 1 1 calc R . .
C44 C 0.2212(2) 0.2508(2) 0.5343(3) 0.0587(15) Uani 1 1 d . . .
C47 C 0.1869(2) 0.2623(2) 0.5080(3) 0.0677(18) Uani 1 1 d . . .
H47 H 0.1964 0.2993 0.5034 0.081 Uiso 1 1 calc R . .
C48 C 0.1225(3) 0.1692(3) 0.4929(5) 0.112(3) Uani 1 1 d . . .
C49 C 0.2059(2) 0.1948(2) 0.5428(3) 0.076(2) Uani 1 1 d . . .
F1 F 0.3429(4) 0.0925(3) 0.2964(3) 0.193(3) Uani 1 1 d . . .
F2 F 0.3996(4) 0.0784(4) 0.2500 0.181(4) Uani 1 2 d S . .
F3 F 0.4271(3) 0.1586(3) 0.2925(3) 0.185(3) Uani 1 1 d . . .
F4 F 0.3602(5) 0.1634(4) 0.2500 0.182(4) Uani 1 2 d S . .
F5 F 0.4759(3) 0.2453(2) 0.7500 0.167(4) Uani 1 2 d SD . .
F6 F 0.4266(4) 0.1694(3) 0.7045(3) 0.301(7) Uani 1 1 d D . .
F7 F 0.5159(4) 0.2079(3) 0.7063(3) 0.335(8) Uani 1 1 d D . .
F8 F 0.4653(5) 0.1309(3) 0.7500 0.375(14) Uani 1 2 d SD . .
N1 N 0.1382(2) 0.2219(2) 0.4875(3) 0.0863(19) Uani 1 1 d . . .
H1A H 0.1168 0.2311 0.4703 0.104 Uiso 1 1 calc R . .
N2 N 0.1565(2) 0.1574(2) 0.5213(3) 0.108(3) Uani 1 1 d . . .
H2A H 0.1458 0.1227 0.5262 0.130 Uiso 1 1 calc R . .
O1 O 0.0797(2) 0.1321(2) 0.4724(4) 0.155(3) Uani 1 1 d . . .
O2 O 0.23361(17) 0.17890(16) 0.5655(2) 0.0821(15) Uani 1 1 d . . .
P2 P 0.42767(5) 0.37888(5) 0.55781(5) 0.0433(4) Uani 1 1 d . . .
P3 P 0.39483(5) 0.24082(5) 0.55209(5) 0.0418(3) Uani 1 1 d . . .
P4 P 0.3820(2) 0.12268(17) 0.2500 0.1186(13) Uani 1 2 d S . .
P5 P 0.4699(3) 0.1876(2) 0.7500 0.251(4) Uani 1 2 d SD . .
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C42 Ru1 C2 91.8(3) . . ?
C42 Ru1 C1 120.2(2) . . ?
C2 Ru1 C1 36.1(3) . . ?
C42 Ru1 C3 97.7(2) . . ?
C2 Ru1 C3 36.6(2) . . ?
C1 Ru1 C3 60.2(3) . . ?
C42 Ru1 C5 152.9(2) . . ?
C2 Ru1 C5 61.1(3) . . ?
C1 Ru1 C5 36.6(2) . . ?
C3 Ru1 C5 60.5(3) . . ?
C42 Ru1 C4 130.8(3) . . ?
C2 Ru1 C4 60.5(3) . . ?
C1 Ru1 C4 60.1(3) . . ?
C3 Ru1 C4 35.7(2) . . ?
C5 Ru1 C4 36.3(2) . . ?
C42 Ru1 P2 87.93(16) . . ?
C2 Ru1 P2 112.67(19) . . ?
C1 Ru1 P2 90.3(2) . . ?
C3 Ru1 P2 148.55(18) . . ?
C5 Ru1 P2 102.8(2) . . ?
C4 Ru1 P2 138.7(2) . . ?
C42 Ru1 P3 99.52(15) . . ?
C2 Ru1 P3 147.53(17) . . ?
C1 Ru1 P3 139.67(19) . . ?
C3 Ru1 P3 111.22(17) . . ?
C5 Ru1 P3 103.33(17) . . ?
C4 Ru1 P3 89.81(18) . . ?
P2 Ru1 P3 98.15(5) . . ?
C2 C1 C5 109.6(7) . . ?
C2 C1 Ru1 71.7(4) . . ?
C5 C1 Ru1 73.0(3) . . ?
C2 C1 H1 125.2 . . ?
C5 C1 H1 125.2 . . ?
Ru1 C1 H1 121.7 . . ?
C1 C2 C3 107.5(7) . . ?
C1 C2 Ru1 72.2(4) . . ?
C3 C2 Ru1 73.1(3) . . ?
C1 C2 H2 126.3 . . ?
C3 C2 H2 126.3 . . ?
Ru1 C2 H2 120.3 . . ?
C4 C3 C2 107.8(7) . . ?
C4 C3 Ru1 72.4(3) . . ?
C2 C3 Ru1 70.3(3) . . ?
C4 C3 H3 126.1 . . ?
C2 C3 H3 126.1 . . ?
Ru1 C3 H3 122.9 . . ?
C3 C4 C5 109.1(6) . . ?
C3 C4 Ru1 71.9(3) . . ?
C5 C4 Ru1 71.7(3) . . ?
C3 C4 H4 125.4 . . ?
C5 C4 H4 125.4 . . ?
Ru1 C4 H4 122.6 . . ?
C4 C5 C1 105.9(7) . . ?
C4 C5 Ru1 72.0(4) . . ?
C1 C5 Ru1 70.4(3) . . ?
C4 C5 H5 127.1 . . ?
C1 C5 H5 127.1 . . ?
Ru1 C5 H5 122.3 . . ?
C7 C6 C11 117.1(5) . . ?
C7 C6 P3 121.2(4) . . ?
C11 C6 P3 121.1(4) . . ?
C8 C7 C6 121.0(5) . . ?
C8 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C9 C8 C7 121.0(6) . . ?
C9 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
C8 C9 C10 119.8(6) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C9 C10 C11 120.4(6) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C10 C11 C6 120.7(6) . . ?
C10 C11 H11 119.7 . . ?
C6 C11 H11 119.7 . . ?
C13 C12 C17 118.5(5) . . ?
C13 C12 P3 120.1(4) . . ?
C17 C12 P3 121.1(4) . . ?
C12 C13 C14 121.2(5) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 H13 119.4 . . ?
C13 C14 C15 120.4(6) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C16 C15 C14 118.5(6) . . ?
C16 C15 H15 120.7 . . ?
C14 C15 H15 120.7 . . ?
C15 C16 C17 121.2(5) . . ?
C15 C16 H16 119.4 . . ?
C17 C16 H16 119.4 . . ?
C16 C17 C12 120.1(5) . . ?
C16 C17 H17 120.0 . . ?
C12 C17 H17 120.0 . . ?
C19 C18 C23 121.0(6) . . ?
C19 C18 P3 119.5(6) . . ?
C23 C18 P3 119.1(5) . . ?
C18 C19 C20 121.3(9) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 H19 119.3 . . ?
C19 C20 C21 116.9(10) . . ?
C19 C20 H20 121.5 . . ?
C21 C20 H20 121.5 . . ?
C22 C21 C20 123.1(8) . . ?
C22 C21 H21 118.4 . . ?
C20 C21 H21 118.4 . . ?
C21 C22 C23 118.6(10) . . ?
C21 C22 H22 120.7 . . ?
C23 C22 H22 120.7 . . ?
C22 C23 C18 119.0(8) . . ?
C22 C23 H23 120.5 . . ?
C18 C23 H23 120.5 . . ?
C25 C24 C29 118.4(5) . . ?
C25 C24 P2 120.4(4) . . ?
C29 C24 P2 121.2(4) . . ?
C24 C25 C26 120.5(6) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C27 C26 C25 120.0(6) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 119.2(5) . . ?
C28 C27 H27 120.4 . . ?
C26 C27 H27 120.4 . . ?
C27 C28 C29 121.4(6) . . ?
C27 C28 H28 119.3 . . ?
C29 C28 H28 119.3 . . ?
C28 C29 C24 120.5(5) . . ?
C28 C29 H29 119.7 . . ?
C24 C29 H29 119.7 . . ?
C31 C30 C35 119.4(5) . . ?
C31 C30 P2 118.3(4) . . ?
C35 C30 P2 122.3(4) . . ?
C32 C31 C30 120.0(5) . . ?
C32 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?
C33 C32 C31 120.6(5) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C32 C33 C34 119.4(5) . . ?
C32 C33 H33 120.3 . . ?
C34 C33 H33 120.3 . . ?
C35 C34 C33 121.1(5) . . ?
C35 C34 H34 119.5 . . ?
C33 C34 H34 119.5 . . ?
C34 C35 C30 119.5(5) . . ?
C34 C35 H35 120.3 . . ?
C30 C35 H35 120.3 . . ?
C37 C36 C41 118.6(5) . . ?
C37 C36 P2 118.8(4) . . ?
C41 C36 P2 122.6(4) . . ?
C36 C37 C38 120.6(6) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 H37 119.7 . . ?
C39 C38 C37 119.7(6) . . ?
C39 C38 H38 120.1 . . ?
C37 C38 H38 120.1 . . ?
C40 C39 C38 119.4(6) . . ?
C40 C39 H39 120.3 . . ?
C38 C39 H39 120.3 . . ?
C39 C40 C41 121.6(6) . . ?
C39 C40 H40 119.2 . . ?
C41 C40 H40 119.2 . . ?
C40 C41 C36 120.1(6) . . ?
C40 C41 H41 120.0 . . ?
C36 C41 H41 120.0 . . ?
C43 C42 Ru1 168.4(4) . . ?
C42 C43 C44 129.8(5) . . ?
C42 C43 H43 115.1 . . ?
C44 C43 H43 115.1 . . ?
C47 C44 C49 119.1(6) . . ?
C47 C44 C43 121.9(5) . . ?
C49 C44 C43 119.0(5) . . ?
C44 C47 N1 121.7(6) . . ?
C44 C47 H47 119.1 . . ?
N1 C47 H47 119.1 . . ?
O1 C48 N1 122.7(8) . . ?
O1 C48 N2 120.9(6) . . ?
N1 C48 N2 116.4(6) . . ?
O2 C49 N2 119.6(6) . . ?
O2 C49 C44 125.6(6) . . ?
N2 C49 C44 114.8(6) . . ?
C48 N1 C47 121.9(6) . . ?
C48 N1 H1A 119.0 . . ?
C47 N1 H1A 119.0 . . ?
C48 N2 C49 126.0(5) . . ?
C48 N2 H2A 117.0 . . ?
C49 N2 H2A 117.0 . . ?
C30 P2 C36 104.2(2) . . ?
C30 P2 C24 101.9(2) . . ?
C36 P2 C24 103.1(2) . . ?
C30 P2 Ru1 120.76(16) . . ?
C36 P2 Ru1 112.09(18) . . ?
C24 P2 Ru1 112.87(18) . . ?
C18 P3 C6 105.4(3) . . ?
C18 P3 C12 102.8(2) . . ?
C6 P3 C12 98.0(2) . . ?
C18 P3 Ru1 111.8(2) . . ?
C6 P3 Ru1 123.05(16) . . ?
C12 P3 Ru1 113.25(17) . . ?
F1 P4 F1 98.1(7) 10_556 . ?
F1 P4 F4 88.3(4) 10_556 . ?
F1 P4 F4 88.3(4) . . ?
F1 P4 F2 89.0(4) 10_556 . ?
F1 P4 F2 89.0(4) . . ?
F4 P4 F2 176.0(7) . . ?
F1 P4 F3 173.1(5) 10_556 . ?
F1 P4 F3 88.8(4) . . ?
F4 P4 F3 90.8(5) . . ?
F2 P4 F3 92.1(4) . . ?
F1 P4 F3 88.8(4) 10_556 10_556 ?
F1 P4 F3 173.1(5) . 10_556 ?
F4 P4 F3 90.8(5) . 10_556 ?
F2 P4 F3 92.1(4) . 10_556 ?
F3 P4 F3 84.4(6) . 10_556 ?
F8 P5 F6 90.7(3) . . ?
F8 P5 F6 90.7(3) . 10_557 ?
F6 P5 F6 93.6(8) . 10_557 ?
F8 P5 F5 178.8(5) . . ?
F6 P5 F5 90.1(5) . . ?
F6 P5 F5 90.2(2) 10_557 . ?
F8 P5 F7 90.3(3) . 10_557 ?
F6 P5 F7 177.0(7) . 10_557 ?
F6 P5 F7 89.2(3) 10_557 10_557 ?
F5 P5 F7 88.8(3) . 10_557 ?
F8 P5 F7 90.3(3) . . ?
F6 P5 F7 89.2(3) . . ?
F6 P5 F7 177.0(7) 10_557 . ?
F5 P5 F7 88.8(3) . . ?
F7 P5 F7 87.9(7) 10_557 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C42 1.850(6) . ?
Ru1 C2 2.228(6) . ?
Ru1 C1 2.233(6) . ?
Ru1 C3 2.264(6) . ?
Ru1 C5 2.267(6) . ?
Ru1 C4 2.270(5) . ?
Ru1 P2 2.3250(14) . ?
Ru1 P3 2.3595(13) . ?
C1 C2 1.383(10) . ?
C1 C5 1.413(9) . ?
C1 H1 0.9500 . ?
C2 C3 1.412(9) . ?
C2 H2 0.9500 . ?
C3 C4 1.390(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.411(10) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.389(7) . ?
C6 C11 1.397(7) . ?
C6 P3 1.824(5) . ?
C7 C8 1.384(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.346(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.370(10) . ?
C9 H9 0.9500 . ?
C10 C11 1.388(9) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C13 1.379(8) . ?
C12 C17 1.394(7) . ?
C12 P3 1.839(5) . ?
C13 C14 1.381(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.388(8) . ?
C14 H14 0.9500 . ?
C15 C16 1.380(9) . ?
C15 H15 0.9500 . ?
C16 C17 1.384(8) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.367(10) . ?
C18 C23 1.413(9) . ?
C18 P3 1.824(5) . ?
C19 C20 1.389(11) . ?
C19 H19 0.9500 . ?
C20 C21 1.412(18) . ?
C20 H20 0.9500 . ?
C21 C22 1.376(18) . ?
C21 H21 0.9500 . ?
C22 C23 1.399(10) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C25 1.381(8) . ?
C24 C29 1.381(7) . ?
C24 P2 1.855(5) . ?
C25 C26 1.396(8) . ?
C25 H25 0.9500 . ?
C26 C27 1.370(9) . ?
C26 H26 0.9500 . ?
C27 C28 1.366(8) . ?
C27 H27 0.9500 . ?
C28 C29 1.370(7) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 C31 1.389(7) . ?
C30 C35 1.393(7) . ?
C30 P2 1.824(5) . ?
C31 C32 1.384(7) . ?
C31 H31 0.9500 . ?
C32 C33 1.365(8) . ?
C32 H32 0.9500 . ?
C33 C34 1.385(8) . ?
C33 H33 0.9500 . ?
C34 C35 1.372(8) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 C37 1.377(8) . ?
C36 C41 1.399(7) . ?
C36 P2 1.836(5) . ?
C37 C38 1.399(9) . ?
C37 H37 0.9500 . ?
C38 C39 1.384(9) . ?
C38 H38 0.9500 . ?
C39 C40 1.361(9) . ?
C39 H39 0.9500 . ?
C40 C41 1.373(8) . ?
C40 H40 0.9500 . ?
C41 H41 0.9500 . ?
C42 C43 1.306(7) . ?
C43 C44 1.477(8) . ?
C43 H43 0.9500 . ?
C44 C47 1.338(8) . ?
C44 C49 1.438(8) . ?
C47 N1 1.377(8) . ?
C47 H47 0.9500 . ?
C48 O1 1.248(8) . ?
C48 N1 1.333(8) . ?
C48 N2 1.364(10) . ?
C49 O2 1.220(7) . ?
C49 N2 1.373(8) . ?
F1 P4 1.532(7) . ?
F2 P4 1.562(9) . ?
F3 P4 1.578(7) . ?
F4 P4 1.556(8) . ?
F5 P5 1.556(4) . ?
F6 P5 1.557(11) . ?
F7 P5 1.570(11) . ?
F8 P5 1.544(11) . ?
N1 H1A 0.8800 . ?
N2 H2A 0.8800 . ?
P4 F1 1.532(7) 10_556 ?
P4 F3 1.578(7) 10_556 ?
P5 F6 1.557(11) 10_557 ?
P5 F7 1.570(11) 10_557 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2A O1 0.88 1.83 2.699(7) 170.1 8_556
N1 H1A O2 0.88 2.01 2.868(7) 166.4 9_556
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C42 Ru1 C1 C2 42.6(5) . . . . ?
C3 Ru1 C1 C2 -38.4(4) . . . . ?
C5 Ru1 C1 C2 -118.1(6) . . . . ?
C4 Ru1 C1 C2 -79.9(5) . . . . ?
P2 Ru1 C1 C2 130.4(4) . . . . ?
P3 Ru1 C1 C2 -126.7(4) . . . . ?
C42 Ru1 C1 C5 160.7(4) . . . . ?
C2 Ru1 C1 C5 118.1(6) . . . . ?
C3 Ru1 C1 C5 79.7(5) . . . . ?
C4 Ru1 C1 C5 38.2(5) . . . . ?
P2 Ru1 C1 C5 -111.5(5) . . . . ?
P3 Ru1 C1 C5 -8.6(7) . . . . ?
C5 C1 C2 C3 1.5(7) . . . . ?
Ru1 C1 C2 C3 65.0(4) . . . . ?
C5 C1 C2 Ru1 -63.6(4) . . . . ?
C42 Ru1 C2 C1 -144.2(4) . . . . ?
C3 Ru1 C2 C1 115.3(6) . . . . ?
C5 Ru1 C2 C1 36.9(4) . . . . ?
C4 Ru1 C2 C1 78.7(5) . . . . ?
P2 Ru1 C2 C1 -55.6(4) . . . . ?
P3 Ru1 C2 C1 104.8(5) . . . . ?
C42 Ru1 C2 C3 100.5(5) . . . . ?
C1 Ru1 C2 C3 -115.3(6) . . . . ?
C5 Ru1 C2 C3 -78.4(5) . . . . ?
C4 Ru1 C2 C3 -36.7(4) . . . . ?
P2 Ru1 C2 C3 -171.0(4) . . . . ?
P3 Ru1 C2 C3 -10.5(8) . . . . ?
C1 C2 C3 C4 -1.4(7) . . . . ?
Ru1 C2 C3 C4 63.1(4) . . . . ?
C1 C2 C3 Ru1 -64.4(4) . . . . ?
C42 Ru1 C3 C4 160.3(4) . . . . ?
C2 Ru1 C3 C4 -117.1(7) . . . . ?
C1 Ru1 C3 C4 -79.2(5) . . . . ?
C5 Ru1 C3 C4 -36.8(4) . . . . ?
P2 Ru1 C3 C4 -101.0(4) . . . . ?
P3 Ru1 C3 C4 56.9(4) . . . . ?
C42 Ru1 C3 C2 -82.6(5) . . . . ?
C1 Ru1 C3 C2 37.9(4) . . . . ?
C5 Ru1 C3 C2 80.3(5) . . . . ?
C4 Ru1 C3 C2 117.1(7) . . . . ?
P2 Ru1 C3 C2 16.1(7) . . . . ?
P3 Ru1 C3 C2 174.0(4) . . . . ?
C2 C3 C4 C5 0.8(7) . . . . ?
Ru1 C3 C4 C5 62.5(4) . . . . ?
C2 C3 C4 Ru1 -61.7(4) . . . . ?
C42 Ru1 C4 C3 -26.2(5) . . . . ?
C2 Ru1 C4 C3 37.6(4) . . . . ?
C1 Ru1 C4 C3 79.5(5) . . . . ?
C5 Ru1 C4 C3 118.1(6) . . . . ?
P2 Ru1 C4 C3 129.2(4) . . . . ?
P3 Ru1 C4 C3 -128.7(4) . . . . ?
C42 Ru1 C4 C5 -144.3(4) . . . . ?
C2 Ru1 C4 C5 -80.4(5) . . . . ?
C1 Ru1 C4 C5 -38.6(4) . . . . ?
C3 Ru1 C4 C5 -118.1(6) . . . . ?
P2 Ru1 C4 C5 11.1(6) . . . . ?
P3 Ru1 C4 C5 113.2(4) . . . . ?
C3 C4 C5 C1 0.1(7) . . . . ?
Ru1 C4 C5 C1 62.7(4) . . . . ?
C3 C4 C5 Ru1 -62.6(4) . . . . ?
C2 C1 C5 C4 -1.0(7) . . . . ?
Ru1 C1 C5 C4 -63.8(4) . . . . ?
C2 C1 C5 Ru1 62.8(4) . . . . ?
C42 Ru1 C5 C4 76.1(6) . . . . ?
C2 Ru1 C5 C4 78.5(5) . . . . ?
C1 Ru1 C5 C4 114.9(7) . . . . ?
C3 Ru1 C5 C4 36.3(4) . . . . ?
P2 Ru1 C5 C4 -172.5(4) . . . . ?
P3 Ru1 C5 C4 -70.8(4) . . . . ?
C42 Ru1 C5 C1 -38.8(8) . . . . ?
C2 Ru1 C5 C1 -36.4(4) . . . . ?
C3 Ru1 C5 C1 -78.6(5) . . . . ?
C4 Ru1 C5 C1 -114.9(7) . . . . ?
P2 Ru1 C5 C1 72.6(5) . . . . ?
P3 Ru1 C5 C1 174.3(4) . . . . ?
C11 C6 C7 C8 -2.2(8) . . . . ?
P3 C6 C7 C8 -173.3(4) . . . . ?
C6 C7 C8 C9 1.7(9) . . . . ?
C7 C8 C9 C10 -0.3(11) . . . . ?
C8 C9 C10 C11 -0.4(12) . . . . ?
C9 C10 C11 C6 -0.2(11) . . . . ?
C7 C6 C11 C10 1.4(9) . . . . ?
P3 C6 C11 C10 172.6(5) . . . . ?
C17 C12 C13 C14 -0.2(9) . . . . ?
P3 C12 C13 C14 173.4(5) . . . . ?
C12 C13 C14 C15 0.3(11) . . . . ?
C13 C14 C15 C16 0.1(11) . . . . ?
C14 C15 C16 C17 -0.5(11) . . . . ?
C15 C16 C17 C12 0.7(10) . . . . ?
C13 C12 C17 C16 -0.3(9) . . . . ?
P3 C12 C17 C16 -173.8(5) . . . . ?
C23 C18 C19 C20 -0.4(10) . . . . ?
P3 C18 C19 C20 -173.1(6) . . . . ?
C18 C19 C20 C21 1.7(13) . . . . ?
C19 C20 C21 C22 -2.6(16) . . . . ?
C20 C21 C22 C23 2.2(16) . . . . ?
C21 C22 C23 C18 -0.7(12) . . . . ?
C19 C18 C23 C22 -0.2(9) . . . . ?
P3 C18 C23 C22 172.6(5) . . . . ?
C29 C24 C25 C26 -0.2(8) . . . . ?
P2 C24 C25 C26 178.7(4) . . . . ?
C24 C25 C26 C27 0.5(9) . . . . ?
C25 C26 C27 C28 0.0(9) . . . . ?
C26 C27 C28 C29 -0.7(8) . . . . ?
C27 C28 C29 C24 1.0(8) . . . . ?
C25 C24 C29 C28 -0.6(7) . . . . ?
P2 C24 C29 C28 -179.4(4) . . . . ?
C35 C30 C31 C32 1.9(7) . . . . ?
P2 C30 C31 C32 -178.5(4) . . . . ?
C30 C31 C32 C33 -0.2(8) . . . . ?
C31 C32 C33 C34 -1.8(9) . . . . ?
C32 C33 C34 C35 2.0(9) . . . . ?
C33 C34 C35 C30 -0.2(8) . . . . ?
C31 C30 C35 C34 -1.7(7) . . . . ?
P2 C30 C35 C34 178.7(4) . . . . ?
C41 C36 C37 C38 -0.1(10) . . . . ?
P2 C36 C37 C38 -177.6(6) . . . . ?
C36 C37 C38 C39 0.8(12) . . . . ?
C37 C38 C39 C40 -0.5(11) . . . . ?
C38 C39 C40 C41 -0.7(11) . . . . ?
C39 C40 C41 C36 1.4(10) . . . . ?
C37 C36 C41 C40 -1.0(9) . . . . ?
P2 C36 C41 C40 176.4(5) . . . . ?
C2 Ru1 C42 C43 52(2) . . . . ?
C1 Ru1 C42 C43 28(2) . . . . ?
C3 Ru1 C42 C43 88(2) . . . . ?
C5 Ru1 C42 C43 54(2) . . . . ?
C4 Ru1 C42 C43 103(2) . . . . ?
P2 Ru1 C42 C43 -61(2) . . . . ?
P3 Ru1 C42 C43 -159(2) . . . . ?
Ru1 C42 C43 C44 -157.4(19) . . . . ?
C42 C43 C44 C47 -168.7(6) . . . . ?
C42 C43 C44 C49 10.4(9) . . . . ?
C49 C44 C47 N1 -2.0(10) . . . . ?
C43 C44 C47 N1 177.1(6) . . . . ?
C47 C44 C49 O2 179.2(7) . . . . ?
C43 C44 C49 O2 0.1(10) . . . . ?
C47 C44 C49 N2 1.3(10) . . . . ?
C43 C44 C49 N2 -177.8(6) . . . . ?
O1 C48 N1 C47 -176.6(9) . . . . ?
N2 C48 N1 C47 1.9(12) . . . . ?
C44 C47 N1 C48 0.3(11) . . . . ?
O1 C48 N2 C49 175.9(9) . . . . ?
N1 C48 N2 C49 -2.6(14) . . . . ?
O2 C49 N2 C48 -177.0(8) . . . . ?
C44 C49 N2 C48 1.0(12) . . . . ?
C31 C30 P2 C36 -178.6(4) . . . . ?
C35 C30 P2 C36 1.1(5) . . . . ?
C31 C30 P2 C24 -71.5(4) . . . . ?
C35 C30 P2 C24 108.1(4) . . . . ?
C31 C30 P2 Ru1 54.4(4) . . . . ?
C35 C30 P2 Ru1 -125.9(4) . . . . ?
C37 C36 P2 C30 -76.3(5) . . . . ?
C41 C36 P2 C30 106.2(5) . . . . ?
C37 C36 P2 C24 177.6(5) . . . . ?
C41 C36 P2 C24 0.2(5) . . . . ?
C37 C36 P2 Ru1 55.9(6) . . . . ?
C41 C36 P2 Ru1 -121.5(4) . . . . ?
C25 C24 P2 C30 168.7(4) . . . . ?
C29 C24 P2 C30 -12.5(5) . . . . ?
C25 C24 P2 C36 -83.5(5) . . . . ?
C29 C24 P2 C36 95.4(4) . . . . ?
C25 C24 P2 Ru1 37.7(5) . . . . ?
C29 C24 P2 Ru1 -143.4(4) . . . . ?
C42 Ru1 P2 C30 -77.8(2) . . . . ?
C2 Ru1 P2 C30 -168.9(3) . . . . ?
C1 Ru1 P2 C30 162.0(3) . . . . ?
C3 Ru1 P2 C30 -179.2(4) . . . . ?
C5 Ru1 P2 C30 127.3(3) . . . . ?
C4 Ru1 P2 C30 120.6(3) . . . . ?
P3 Ru1 P2 C30 21.57(19) . . . . ?
C42 Ru1 P2 C36 158.9(2) . . . . ?
C2 Ru1 P2 C36 67.8(3) . . . . ?
C1 Ru1 P2 C36 38.6(3) . . . . ?
C3 Ru1 P2 C36 57.5(4) . . . . ?
C5 Ru1 P2 C36 4.0(3) . . . . ?
C4 Ru1 P2 C36 -2.7(3) . . . . ?
P3 Ru1 P2 C36 -101.8(2) . . . . ?
C42 Ru1 P2 C24 42.9(2) . . . . ?
C2 Ru1 P2 C24 -48.2(3) . . . . ?
C1 Ru1 P2 C24 -77.3(3) . . . . ?
C3 Ru1 P2 C24 -58.5(4) . . . . ?
C5 Ru1 P2 C24 -112.0(2) . . . . ?
C4 Ru1 P2 C24 -118.7(3) . . . . ?
P3 Ru1 P2 C24 142.27(17) . . . . ?
C19 C18 P3 C6 -152.0(5) . . . . ?
C23 C18 P3 C6 35.1(5) . . . . ?
C19 C18 P3 C12 -49.8(5) . . . . ?
C23 C18 P3 C12 137.3(5) . . . . ?
C19 C18 P3 Ru1 72.0(5) . . . . ?
C23 C18 P3 Ru1 -100.9(5) . . . . ?
C7 C6 P3 C18 -155.0(4) . . . . ?
C11 C6 P3 C18 34.2(5) . . . . ?
C7 C6 P3 C12 99.3(4) . . . . ?
C11 C6 P3 C12 -71.5(5) . . . . ?
C7 C6 P3 Ru1 -25.3(5) . . . . ?
C11 C6 P3 Ru1 163.9(4) . . . . ?
C13 C12 P3 C18 156.9(5) . . . . ?
C17 C12 P3 C18 -29.7(5) . . . . ?
C13 C12 P3 C6 -95.2(5) . . . . ?
C17 C12 P3 C6 78.2(5) . . . . ?
C13 C12 P3 Ru1 36.1(5) . . . . ?
C17 C12 P3 Ru1 -150.5(4) . . . . ?
C42 Ru1 P3 C18 147.5(3) . . . . ?
C2 Ru1 P3 C18 -103.6(5) . . . . ?
C1 Ru1 P3 C18 -41.9(4) . . . . ?
C3 Ru1 P3 C18 -110.3(3) . . . . ?
C5 Ru1 P3 C18 -47.1(3) . . . . ?
C4 Ru1 P3 C18 -81.1(3) . . . . ?
P2 Ru1 P3 C18 58.2(2) . . . . ?
C42 Ru1 P3 C6 20.5(3) . . . . ?
C2 Ru1 P3 C6 129.4(5) . . . . ?
C1 Ru1 P3 C6 -168.9(4) . . . . ?
C3 Ru1 P3 C6 122.7(3) . . . . ?
C5 Ru1 P3 C6 -174.1(3) . . . . ?
C4 Ru1 P3 C6 152.0(3) . . . . ?
P2 Ru1 P3 C6 -68.8(2) . . . . ?
C42 Ru1 P3 C12 -96.9(2) . . . . ?
C2 Ru1 P3 C12 12.0(5) . . . . ?
C1 Ru1 P3 C12 73.7(4) . . . . ?
C3 Ru1 P3 C12 5.3(3) . . . . ?
C5 Ru1 P3 C12 68.5(3) . . . . ?
C4 Ru1 P3 C12 34.5(3) . . . . ?
P2 Ru1 P3 C12 173.81(19) . . . . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 -0.009 -0.009 0.000 6141.0 1367.4
