#------------------------------------------------------------------------------
#$Date: 2017-01-09 05:35:09 +0200 (Mon, 09 Jan 2017) $
#$Revision: 190192 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/08/7040848.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_7040848
loop_
_publ_author_name
'Chai, Huining'
'Wang, Qingfu'
'Liu, Tingting'
'Yu, Zhengkun'
_publ_section_title
;
 Diruthenium(ii)-NNN pincer complex catalysts for transfer hydrogenation
 of ketones.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17843
_journal_page_last               17849
_journal_paper_doi               10.1039/c6dt03620a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C115 H104 N10 O2 P4 Ru2'
_chemical_formula_weight         1984.10
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2014-05-10 deposited with the CCDC.
2016-10-10 downloaded from the CCDC.
;
_cell_angle_alpha                90.286(6)
_cell_angle_beta                 94.702(6)
_cell_angle_gamma                97.737(6)
_cell_formula_units_Z            2
_cell_length_a                   12.052(3)
_cell_length_b                   20.350(6)
_cell_length_c                   20.965(6)
_cell_measurement_reflns_used    8975
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      56.984
_cell_measurement_theta_min      4.421
_cell_volume                     5077(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0675
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         0.975
_exptl_absorpt_coefficient_mu    0.416
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5947
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.298
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2056
_exptl_crystal_size_max          0.187
_exptl_crystal_size_mid          0.101
_exptl_crystal_size_min          0.056
_platon_squeeze_details
;
;
_refine_diff_density_max         0.945
_refine_diff_density_min         -0.512
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1213
_refine_ls_number_reflns         19805
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0748
_refine_ls_R_factor_gt           0.0566
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0600P)²+1.5722P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1347
_refine_ls_wR_factor_ref         0.1427
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15524
_reflns_number_total             19805
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt03620a2.cif
_cod_data_source_block           cd214117
_cod_depositor_comments
'Adding full bibliography for 7040848--7040849.cif.'
_cod_database_code               7040848
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Ru1 Ru 0.35971(2) 0.63404(2) 0.32608(2) 0.02784(9) Uani 1 1 d . .
Ru2 Ru 0.63127(2) 0.15328(2) 0.17019(2) 0.02925(9) Uani 1 1 d . .
P1 P 0.54928(8) 0.63006(5) 0.35508(5) 0.0303(2) Uani 1 1 d . .
P2 P 0.16425(8) 0.62881(5) 0.31471(5) 0.0330(2) Uani 1 1 d . .
P3 P 0.44174(8) 0.12431(5) 0.13781(5) 0.0319(2) Uani 1 1 d . .
P4 P 0.82688(9) 0.15759(5) 0.18128(5) 0.0350(2) Uani 1 1 d . .
N1 N 0.3654(3) 0.73162(16) 0.35885(15) 0.0347(7) Uani 1 1 d . .
N2 N 0.3757(3) 0.77788(16) 0.30981(16) 0.0373(8) Uani 1 1 d . .
N3 N 0.3817(2) 0.68856(15) 0.24542(15) 0.0324(7) Uani 1 1 d . .
N4 N 0.3585(3) 0.55970(15) 0.25560(14) 0.0317(7) Uani 1 1 d . .
N5 N 0.3579(3) 0.54090(19) 0.14759(17) 0.0480(9) Uani 1 1 d . .
N6 N 0.6348(3) 0.25015(16) 0.14084(15) 0.0339(7) Uani 1 1 d . .
N7 N 0.6173(3) 0.29390(16) 0.18922(15) 0.0352(7) Uani 1 1 d . .
N8 N 0.6079(3) 0.20236(16) 0.25151(14) 0.0331(7) Uani 1 1 d . .
N9 N 0.6229(3) 0.07686(16) 0.23807(15) 0.0351(7) Uani 1 1 d . .
N10 N 0.6082(3) 0.05414(18) 0.34454(16) 0.0455(9) Uani 1 1 d . .
O1 O 0.4172(6) 0.5611(3) 0.0258(2) 0.131(2) Uani 1 1 d D .
H1D H 0.3903 0.5518 0.0598 0.197 Uiso 1 1 calc R U
O2 O 0.5973(4) 0.0686(2) 0.47268(18) 0.0940(15) Uani 1 1 d D .
H2A H 0.6024 0.0689 0.4339 0.141 Uiso 1 1 calc R U
C1 C 0.3455(5) 0.7351(3) 0.4738(2) 0.0684(15) Uani 1 1 d . .
H1A H 0.3469 0.6883 0.4693 0.103 Uiso 1 1 calc R U
H1B H 0.2768 0.7427 0.4910 0.103 Uiso 1 1 calc R U
H1C H 0.4082 0.7540 0.5023 0.103 Uiso 1 1 calc R U
C2 C 0.3528(4) 0.7667(2) 0.4101(2) 0.0469(11) Uani 1 1 d . .
C3 C 0.3523(4) 0.8336(2) 0.3957(2) 0.0535(12) Uani 1 1 d . .
H3 H 0.3447 0.8675 0.4243 0.064 Uiso 1 1 calc R U
C4 C 0.3651(4) 0.8400(2) 0.3323(2) 0.0483(11) Uani 1 1 d . .
C5 C 0.3608(5) 0.9004(2) 0.2926(3) 0.0666(15) Uani 1 1 d . .
H5A H 0.3419 0.9358 0.3183 0.100 Uiso 1 1 calc R U
H5B H 0.3049 0.8908 0.2573 0.100 Uiso 1 1 calc R U
H5C H 0.4329 0.9134 0.2767 0.100 Uiso 1 1 calc R U
C6 C 0.3919(3) 0.75510(19) 0.24871(19) 0.0350(9) Uani 1 1 d . .
C7 C 0.4170(4) 0.7928(2) 0.1957(2) 0.0498(12) Uani 1 1 d . .
H7 H 0.4254 0.8389 0.1979 0.060 Uiso 1 1 calc R U
C8 C 0.4289(4) 0.7605(2) 0.1405(2) 0.0587(13) Uani 1 1 d . .
H8 H 0.4478 0.7852 0.1048 0.070 Uiso 1 1 calc R U
C9 C 0.4140(4) 0.6927(2) 0.1355(2) 0.0504(11) Uani 1 1 d . .
H9 H 0.4205 0.6714 0.0969 0.061 Uiso 1 1 calc R U
C10 C 0.3887(3) 0.6568(2) 0.18997(17) 0.0344(9) Uani 1 1 d . .
C11 C 0.3682(3) 0.5850(2) 0.19595(18) 0.0359(9) Uani 1 1 d . .
C12 C 0.3390(4) 0.4814(2) 0.1777(2) 0.0470(11) Uani 1 1 d . .
C13 C 0.3411(3) 0.4921(2) 0.2440(2) 0.0402(10) Uani 1 1 d . .
C14 C 0.3288(4) 0.4391(2) 0.2856(2) 0.0496(11) Uani 1 1 d . .
H14 H 0.3350 0.4457 0.3297 0.059 Uiso 1 1 calc R U
C15 C 0.3068(5) 0.3761(2) 0.2585(3) 0.0684(15) Uani 1 1 d . .
H15 H 0.2975 0.3397 0.2851 0.082 Uiso 1 1 calc R U
C16 C 0.2984(5) 0.3658(3) 0.1929(3) 0.0793(18) Uani 1 1 d . .
H16 H 0.2808 0.3227 0.1765 0.095 Uiso 1 1 calc R U
C17 C 0.3153(5) 0.4172(3) 0.1517(3) 0.0666(15) Uani 1 1 d . .
H17 H 0.3112 0.4097 0.1077 0.080 Uiso 1 1 calc R U
C18 C 0.5968(3) 0.55049(19) 0.37837(18) 0.0343(9) Uani 1 1 d . .
C19 C 0.5279(4) 0.5039(2) 0.4090(2) 0.0485(11) Uani 1 1 d . .
H19 H 0.4550 0.5111 0.4153 0.058 Uiso 1 1 calc R U
C20 C 0.5667(4) 0.4463(2) 0.4307(3) 0.0619(14) Uani 1 1 d . .
H20 H 0.5196 0.4153 0.4518 0.074 Uiso 1 1 calc R U
C21 C 0.6730(4) 0.4344(2) 0.4215(3) 0.0602(14) Uani 1 1 d . .
H21 H 0.6976 0.3952 0.4357 0.072 Uiso 1 1 calc R U
C22 C 0.7433(4) 0.4806(3) 0.3912(3) 0.0617(14) Uani 1 1 d . .
H22 H 0.8161 0.4729 0.3852 0.074 Uiso 1 1 calc R U
C23 C 0.7058(4) 0.5379(2) 0.3700(2) 0.0497(11) Uani 1 1 d . .
H23 H 0.7539 0.5691 0.3496 0.060 Uiso 1 1 calc R U
C24 C 0.6101(3) 0.6831(2) 0.42378(18) 0.0334(9) Uani 1 1 d . .
C25 C 0.6498(3) 0.6568(2) 0.48073(19) 0.0430(10) Uani 1 1 d . .
H25 H 0.6507 0.6113 0.4839 0.052 Uiso 1 1 calc R U
C26 C 0.6883(4) 0.6981(3) 0.5332(2) 0.0598(14) Uani 1 1 d . .
H26 H 0.7133 0.6801 0.5716 0.072 Uiso 1 1 calc R U
C27 C 0.6893(5) 0.7652(3) 0.5285(3) 0.0709(16) Uani 1 1 d . .
H27 H 0.7165 0.7927 0.5634 0.085 Uiso 1 1 calc R U
C28 C 0.6507(5) 0.7918(3) 0.4729(3) 0.0675(15) Uani 1 1 d . .
H28 H 0.6513 0.8375 0.4702 0.081 Uiso 1 1 calc R U
C29 C 0.6109(4) 0.7516(2) 0.4207(2) 0.0506(11) Uani 1 1 d . .
H29 H 0.5843 0.7703 0.3831 0.061 Uiso 1 1 calc R U
C30 C 0.6441(3) 0.6534(2) 0.29107(19) 0.0382(10) Uani 1 1 d . .
C31 C 0.7236(3) 0.7093(2) 0.2936(2) 0.0492(11) Uani 1 1 d . .
H31 H 0.7333 0.7375 0.3293 0.059 Uiso 1 1 calc R U
C32 C 0.7893(4) 0.7230(3) 0.2421(3) 0.0642(15) Uani 1 1 d . .
H32 H 0.8412 0.7613 0.2431 0.077 Uiso 1 1 calc R U
C33 C 0.7787(4) 0.6819(4) 0.1916(3) 0.0731(18) Uani 1 1 d . .
H33 H 0.8250 0.6910 0.1584 0.088 Uiso 1 1 calc R U
C34 C 0.6994(4) 0.6261(3) 0.1882(2) 0.0722(17) Uani 1 1 d . .
H34 H 0.6906 0.5981 0.1524 0.087 Uiso 1 1 calc R U
C35 C 0.6331(4) 0.6122(3) 0.23846(19) 0.0479(11) Uani 1 1 d . .
H35 H 0.5802 0.5744 0.2365 0.057 Uiso 1 1 calc R U
C36 C 0.1223(3) 0.6883(2) 0.2548(2) 0.0442(11) Uani 1 1 d . .
C37 C 0.1135(4) 0.7538(2) 0.2703(3) 0.0613(15) Uani 1 1 d . .
H37 H 0.1215 0.7675 0.3130 0.074 Uiso 1 1 calc R U
C38 C 0.0929(5) 0.7991(3) 0.2225(4) 0.094(3) Uani 1 1 d . .
H38 H 0.0850 0.8425 0.2333 0.112 Uiso 1 1 calc R U
C39 C 0.0844(5) 0.7790(4) 0.1594(4) 0.106(3) Uani 1 1 d . .
H39 H 0.0689 0.8088 0.1275 0.128 Uiso 1 1 calc R U
C40 C 0.0985(5) 0.7157(4) 0.1430(3) 0.092(2) Uani 1 1 d . .
H40 H 0.0956 0.7029 0.1002 0.111 Uiso 1 1 calc R U
C41 C 0.1171(4) 0.6707(3) 0.1912(2) 0.0645(15) Uani 1 1 d . .
H41 H 0.1262 0.6276 0.1800 0.077 Uiso 1 1 calc R U
C42 C 0.0738(3) 0.5515(2) 0.2894(2) 0.0440(10) Uani 1 1 d . .
C43 C -0.0274(5) 0.5503(3) 0.2539(3) 0.0790(18) Uani 1 1 d . .
H43 H -0.0502 0.5896 0.2387 0.095 Uiso 1 1 calc R U
C44 C -0.0957(6) 0.4904(4) 0.2409(4) 0.110(3) Uani 1 1 d . .
H44 H -0.1631 0.4894 0.2156 0.132 Uiso 1 1 calc R U
C45 C -0.0644(7) 0.4342(4) 0.2647(5) 0.134(4) Uani 1 1 d . .
H45 H -0.1109 0.3943 0.2563 0.160 Uiso 1 1 calc R U
C46 C 0.0323(7) 0.4347(3) 0.3001(6) 0.158(5) Uani 1 1 d . .
H46 H 0.0529 0.3952 0.3162 0.190 Uiso 1 1 calc R U
C47 C 0.1031(5) 0.4941(3) 0.3134(4) 0.100(3) Uani 1 1 d . .
H47 H 0.1703 0.4943 0.3387 0.119 Uiso 1 1 calc R U
C48 C 0.0891(3) 0.6438(2) 0.38467(19) 0.0404(10) Uani 1 1 d . .
C49 C -0.0087(4) 0.6734(3) 0.3811(2) 0.0553(12) Uani 1 1 d . .
H49 H -0.0336 0.6914 0.3427 0.066 Uiso 1 1 calc R U
C50 C -0.0692(4) 0.6762(3) 0.4340(3) 0.0720(16) Uani 1 1 d . .
H50 H -0.1336 0.6968 0.4313 0.086 Uiso 1 1 calc R U
C51 C -0.0352(4) 0.6490(4) 0.4897(3) 0.083(2) Uani 1 1 d . .
H51 H -0.0755 0.6518 0.5254 0.100 Uiso 1 1 calc R U
C52 C 0.0595(5) 0.6171(5) 0.4939(3) 0.109(3) Uani 1 1 d . .
H52 H 0.0805 0.5962 0.5314 0.131 Uiso 1 1 calc R U
C53 C 0.1226(4) 0.6166(3) 0.4419(2) 0.0775(19) Uani 1 1 d . .
H53 H 0.1887 0.5976 0.4456 0.093 Uiso 1 1 calc R U
C54 C 0.6709(4) 0.2573(2) 0.0291(2) 0.0559(13) Uani 1 1 d . .
H54A H 0.6954 0.2149 0.0367 0.084 Uiso 1 1 calc R U
H54B H 0.7279 0.2857 0.0091 0.084 Uiso 1 1 calc R U
H54C H 0.6027 0.2518 0.0014 0.084 Uiso 1 1 calc R U
C55 C 0.6509(4) 0.2872(2) 0.0897(2) 0.0425(10) Uani 1 1 d . .
C56 C 0.6441(4) 0.3538(2) 0.1047(2) 0.0480(11) Uani 1 1 d . .
H56 H 0.6530 0.3891 0.0766 0.058 Uiso 1 1 calc R U
C57 C 0.6223(3) 0.3581(2) 0.1671(2) 0.0409(10) Uani 1 1 d . .
C58 C 0.6079(4) 0.4172(2) 0.2050(2) 0.0565(13) Uani 1 1 d . .
H58A H 0.6197 0.4559 0.1792 0.085 Uiso 1 1 calc R U
H58B H 0.6615 0.4216 0.2418 0.085 Uiso 1 1 calc R U
H58C H 0.5332 0.4124 0.2187 0.085 Uiso 1 1 calc R U
C59 C 0.5980(3) 0.2672(2) 0.24960(19) 0.0365(9) Uani 1 1 d . .
C60 C 0.5701(4) 0.3005(2) 0.3024(2) 0.0528(12) Uani 1 1 d . .
H60 H 0.5624 0.3454 0.3007 0.063 Uiso 1 1 calc R U
C61 C 0.5541(5) 0.2655(3) 0.3571(2) 0.0657(15) Uani 1 1 d . .
H61 H 0.5354 0.2870 0.3932 0.079 Uiso 1 1 calc R U
C62 C 0.5652(4) 0.1990(2) 0.3600(2) 0.0576(13) Uani 1 1 d . .
H62 H 0.5545 0.1757 0.3975 0.069 Uiso 1 1 calc R U
C63 C 0.5925(3) 0.1680(2) 0.30594(18) 0.0393(9) Uani 1 1 d . .
C64 C 0.6071(3) 0.0988(2) 0.29795(18) 0.0374(9) Uani 1 1 d . .
C65 C 0.6297(4) -0.0017(2) 0.3131(2) 0.0430(10) Uani 1 1 d . .
C66 C 0.6385(3) 0.0113(2) 0.24736(19) 0.0359(9) Uani 1 1 d . .
C67 C 0.6606(4) -0.0373(2) 0.2060(2) 0.0457(10) Uani 1 1 d . .
H67 H 0.6656 -0.0290 0.1626 0.055 Uiso 1 1 calc R U
C68 C 0.6750(4) -0.0984(2) 0.2304(3) 0.0576(13) Uani 1 1 d . .
H68 H 0.6898 -0.1318 0.2031 0.069 Uiso 1 1 calc R U
C69 C 0.6678(4) -0.1113(2) 0.2953(3) 0.0625(14) Uani 1 1 d . .
H69 H 0.6785 -0.1531 0.3105 0.075 Uiso 1 1 calc R U
C70 C 0.6456(4) -0.0642(2) 0.3369(2) 0.0562(13) Uani 1 1 d . .
H70 H 0.6410 -0.0733 0.3801 0.067 Uiso 1 1 calc R U
C71 C 0.3941(3) 0.0384(2) 0.11153(19) 0.0385(9) Uani 1 1 d . .
C72 C 0.4656(4) 0.0005(2) 0.0856(2) 0.0518(11) Uani 1 1 d . .
H72 H 0.5406 0.0176 0.0831 0.062 Uiso 1 1 calc R U
C73 C 0.4265(5) -0.0634(2) 0.0632(3) 0.0661(15) Uani 1 1 d . .
H73 H 0.4756 -0.0887 0.0458 0.079 Uiso 1 1 calc R U
C74 C 0.3178(5) -0.0893(3) 0.0663(3) 0.0694(15) Uani 1 1 d . .
H74 H 0.2928 -0.1326 0.0521 0.083 Uiso 1 1 calc R U
C75 C 0.2452(5) -0.0519(3) 0.0902(3) 0.0833(19) Uani 1 1 d . .
H75 H 0.1699 -0.0692 0.0911 0.100 Uiso 1 1 calc R U
C76 C 0.2820(4) 0.0112(3) 0.1130(3) 0.0690(15) Uani 1 1 d . .
H76 H 0.2315 0.0361 0.1296 0.083 Uiso 1 1 calc R U
C77 C 0.3870(3) 0.1713(2) 0.06995(18) 0.0348(9) Uani 1 1 d . .
C78 C 0.3461(4) 0.1411(3) 0.0120(2) 0.0519(12) Uani 1 1 d . .
H78 H 0.3390 0.0952 0.0076 0.062 Uiso 1 1 calc R U
C79 C 0.3156(5) 0.1789(3) -0.0396(2) 0.0714(16) Uani 1 1 d . .
H79 H 0.2874 0.1581 -0.0782 0.086 Uiso 1 1 calc R U
C80 C 0.3265(5) 0.2464(3) -0.0342(3) 0.0740(18) Uani 1 1 d . .
H80 H 0.3075 0.2714 -0.0694 0.089 Uiso 1 1 calc R U
C81 C 0.3654(4) 0.2773(3) 0.0228(3) 0.0613(14) Uani 1 1 d . .
H81 H 0.3716 0.3232 0.0266 0.074 Uiso 1 1 calc R U
C82 C 0.3957(4) 0.2400(2) 0.0750(2) 0.0482(11) Uani 1 1 d . .
H82 H 0.4220 0.2612 0.1138 0.058 Uiso 1 1 calc R U
C83 C 0.3435(3) 0.1329(2) 0.19897(19) 0.0379(9) Uani 1 1 d . .
C84 C 0.2699(4) 0.1790(2) 0.1980(2) 0.0547(12) Uani 1 1 d . .
H84 H 0.2647 0.2068 0.1631 0.066 Uiso 1 1 calc R U
C85 C 0.2039(5) 0.1847(3) 0.2475(3) 0.0766(18) Uani 1 1 d . .
H85 H 0.1556 0.2168 0.2464 0.092 Uiso 1 1 calc R U
C86 C 0.2093(5) 0.1433(3) 0.2985(3) 0.0718(17) Uani 1 1 d . .
H86 H 0.1653 0.1475 0.3323 0.086 Uiso 1 1 calc R U
C87 C 0.2790(4) 0.0960(4) 0.2997(2) 0.0736(17) Uani 1 1 d . .
H87 H 0.2806 0.0670 0.3338 0.088 Uiso 1 1 calc R U
C88 C 0.3471(4) 0.0906(3) 0.2510(2) 0.0594(13) Uani 1 1 d . .
H88 H 0.3957 0.0588 0.2528 0.071 Uiso 1 1 calc R U
C89 C 0.8862(3) 0.1747(2) 0.26403(19) 0.0411(10) Uani 1 1 d . .
C90 C 0.8620(4) 0.1280(3) 0.3106(2) 0.0567(13) Uani 1 1 d . .
H90 H 0.8238 0.0865 0.2983 0.068 Uiso 1 1 calc R U
C91 C 0.8927(5) 0.1412(3) 0.3743(3) 0.0799(18) Uani 1 1 d . .
H91 H 0.8765 0.1086 0.4045 0.096 Uiso 1 1 calc R U
C92 C 0.9464(7) 0.2013(4) 0.3931(3) 0.098(2) Uani 1 1 d . .
H92 H 0.9658 0.2104 0.4364 0.118 Uiso 1 1 calc R U
C93 C 0.9726(6) 0.2491(3) 0.3495(3) 0.097(2) Uani 1 1 d . .
H93 H 1.0107 0.2903 0.3630 0.117 Uiso 1 1 calc R U
C94 C 0.9422(5) 0.2362(3) 0.2844(3) 0.0670(15) Uani 1 1 d . .
H94 H 0.9596 0.2689 0.2546 0.080 Uiso 1 1 calc R U
C95 C 0.9143(3) 0.2182(2) 0.1354(2) 0.0453(11) Uani 1 1 d . .
C96 C 0.9003(4) 0.2843(2) 0.1385(3) 0.0596(14) Uani 1 1 d . .
H96 H 0.8487 0.2978 0.1647 0.071 Uiso 1 1 calc R U
C97 C 0.9630(5) 0.3308(3) 0.1027(3) 0.084(2) Uani 1 1 d . .
H97 H 0.9530 0.3753 0.1048 0.100 Uiso 1 1 calc R U
C98 C 1.0393(6) 0.3111(4) 0.0644(3) 0.100(3) Uani 1 1 d . .
H98 H 1.0816 0.3423 0.0408 0.120 Uiso 1 1 calc R U
C99 C 1.0536(5) 0.2462(4) 0.0607(3) 0.095(2) Uani 1 1 d . .
H99 H 1.1051 0.2332 0.0341 0.114 Uiso 1 1 calc R U
C100 C 0.9918(4) 0.1990(3) 0.0961(2) 0.0654(14) Uani 1 1 d . .
H100 H 1.0025 0.1547 0.0936 0.078 Uiso 1 1 calc R U
C101 C 0.8776(3) 0.0799(2) 0.1600(2) 0.0411(10) Uani 1 1 d . .
C102 C 0.9585(4) 0.0514(2) 0.1971(3) 0.0605(13) Uani 1 1 d . .
H102 H 0.9899 0.0717 0.2354 0.073 Uiso 1 1 calc R U
C103 C 0.9927(5) -0.0075(3) 0.1771(4) 0.085(2) Uani 1 1 d . .
H103 H 1.0460 -0.0267 0.2026 0.102 Uiso 1 1 calc R U
C104 C 0.9489(5) -0.0371(3) 0.1207(4) 0.096(2) Uani 1 1 d . .
H104 H 0.9711 -0.0769 0.1081 0.115 Uiso 1 1 calc R U
C105 C 0.8718(4) -0.0084(3) 0.0824(3) 0.0810(19) Uani 1 1 d . .
H105 H 0.8434 -0.0280 0.0432 0.097 Uiso 1 1 calc R U
C106 C 0.8362(4) 0.0499(3) 0.1022(3) 0.0582(13) Uani 1 1 d . .
H106 H 0.7837 0.0690 0.0761 0.070 Uiso 1 1 calc R U
C107 C 0.1210(6) 0.9202(4) 0.4532(3) 0.091(2) Uani 1 1 d . .
H107 H 0.1757 0.9155 0.4862 0.109 Uiso 1 1 calc R U
C108 C 0.0604(8) 0.8651(4) 0.4242(5) 0.118(3) Uani 1 1 d . .
H108 H 0.0738 0.8232 0.4376 0.142 Uiso 1 1 calc R U
C109 C -0.0196(8) 0.8713(5) 0.3756(5) 0.128(3) Uani 1 1 d . .
H109 H -0.0634 0.8338 0.3573 0.154 Uiso 1 1 calc R U
C110 C -0.0351(7) 0.9321(6) 0.3542(5) 0.128(3) Uani 1 1 d . .
H110 H -0.0866 0.9364 0.3194 0.153 Uiso 1 1 calc R U
C111 C 0.0245(7) 0.9872(4) 0.3834(4) 0.109(3) Uani 1 1 d . .
H111 H 0.0127 1.0290 0.3688 0.131 Uiso 1 1 calc R U
C112 C 0.1023(5) 0.9819(4) 0.4345(3) 0.0806(18) Uani 1 1 d . .
C113 C 0.1644(7) 1.0426(4) 0.4686(4) 0.133(3) Uani 1 1 d . .
H11A H 0.1785 1.0334 0.5131 0.199 Uiso 1 1 calc R U
H11B H 0.1198 1.0783 0.4641 0.199 Uiso 1 1 calc R U
H11C H 0.2344 1.0551 0.4503 0.199 Uiso 1 1 calc R U
C114 C 0.5106(8) 0.5271(4) 0.0203(4) 0.124(3) Uani 1 1 d D .
H11D H 0.5714 0.5576 0.0051 0.149 Uiso 1 1 calc R U
H11E H 0.5358 0.5126 0.0624 0.149 Uiso 1 1 calc R U
C115 C 0.4948(6) 0.0316(3) 0.4859(3) 0.094(2) Uani 1 1 d D .
H11F H 0.4468 0.0246 0.4464 0.112 Uiso 1 1 calc R U
H11G H 0.4579 0.0575 0.5147 0.112 Uiso 1 1 calc R U
H1 H 0.341(3) 0.5884(18) 0.3832(17) 0.035(10) Uiso 1 1 d . .
H2 H 0.647(4) 0.115(2) 0.110(2) 0.061(13) Uiso 1 1 d . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
N3 Ru1 N1 76.63(13) . .
N3 Ru1 N4 77.96(12) . .
N1 Ru1 N4 154.53(12) . .
N3 Ru1 P1 96.67(9) . .
N1 Ru1 P1 93.93(9) . .
N4 Ru1 P1 90.72(9) . .
N3 Ru1 P2 93.65(9) . .
N1 Ru1 P2 87.31(9) . .
N4 Ru1 P2 92.57(9) . .
P1 Ru1 P2 169.61(4) . .
N3 Ru1 H1 175.6(14) . .
N1 Ru1 H1 107.7(15) . .
N4 Ru1 H1 97.7(15) . .
P1 Ru1 H1 84.1(13) . .
P2 Ru1 H1 85.7(13) . .
N8 Ru2 N6 76.99(12) . .
N8 Ru2 N9 77.75(12) . .
N6 Ru2 N9 154.66(13) . .
N8 Ru2 P3 96.14(9) . .
N6 Ru2 P3 94.05(9) . .
N9 Ru2 P3 90.52(9) . .
N8 Ru2 P4 99.95(9) . .
N6 Ru2 P4 94.52(9) . .
N9 Ru2 P4 87.93(9) . .
P3 Ru2 P4 163.11(4) . .
N8 Ru2 H2 178.9(16) . .
N6 Ru2 H2 104.0(16) . .
N9 Ru2 H2 101.3(16) . .
P3 Ru2 H2 83.2(16) . .
P4 Ru2 H2 80.6(16) . .
C24 P1 C18 100.79(18) . .
C24 P1 C30 104.36(18) . .
C18 P1 C30 99.29(18) . .
C24 P1 Ru1 115.36(13) . .
C18 P1 Ru1 119.68(12) . .
C30 P1 Ru1 114.85(12) . .
C48 P2 C36 105.3(2) . .
C48 P2 C42 95.3(2) . .
C36 P2 C42 103.0(2) . .
C48 P2 Ru1 119.44(13) . .
C36 P2 Ru1 110.27(13) . .
C42 P2 Ru1 121.17(15) . .
C71 P3 C83 99.91(19) . .
C71 P3 C77 101.92(18) . .
C83 P3 C77 103.29(19) . .
C71 P3 Ru2 117.85(14) . .
C83 P3 Ru2 115.95(13) . .
C77 P3 Ru2 115.50(13) . .
C89 P4 C101 103.9(2) . .
C89 P4 C95 103.0(2) . .
C101 P4 C95 101.5(2) . .
C89 P4 Ru2 112.60(14) . .
C101 P4 Ru2 114.33(14) . .
C95 P4 Ru2 119.65(14) . .
C2 N1 N2 104.8(3) . .
C2 N1 Ru1 142.0(3) . .
N2 N1 Ru1 112.9(2) . .
C4 N2 C6 131.4(4) . .
C4 N2 N1 110.5(3) . .
C6 N2 N1 118.1(3) . .
C10 N3 C6 121.1(3) . .
C10 N3 Ru1 118.8(3) . .
C6 N3 Ru1 120.1(3) . .
C11 N4 C13 102.9(3) . .
C11 N4 Ru1 112.5(3) . .
C13 N4 Ru1 144.2(3) . .
C11 N5 C12 103.0(3) . .
C55 N6 N7 105.5(3) . .
C55 N6 Ru2 140.9(3) . .
N7 N6 Ru2 113.6(2) . .
C57 N7 N6 111.0(3) . .
C57 N7 C59 131.6(4) . .
N6 N7 C59 117.3(3) . .
C59 N8 C63 120.5(4) . .
C59 N8 Ru2 119.8(3) . .
C63 N8 Ru2 119.4(3) . .
C64 N9 C66 103.5(3) . .
C64 N9 Ru2 112.8(2) . .
C66 N9 Ru2 143.3(3) . .
C64 N10 C65 102.9(3) . .
C114 O1 H1D 109.5 . .
C115 O2 H2A 109.5 . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
N1 C2 C3 111.2(4) . .
N1 C2 C1 121.0(4) . .
C3 C2 C1 127.7(5) . .
C4 C3 C2 107.2(4) . .
C4 C3 H3 126.4 . .
C2 C3 H3 126.4 . .
C3 C4 N2 106.2(4) . .
C3 C4 C5 128.1(5) . .
N2 C4 C5 125.6(4) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
N3 C6 C7 120.6(4) . .
N3 C6 N2 111.9(3) . .
C7 C6 N2 127.5(4) . .
C8 C7 C6 118.0(4) . .
C8 C7 H7 121.0 . .
C6 C7 H7 121.0 . .
C7 C8 C9 122.2(4) . .
C7 C8 H8 118.9 . .
C9 C8 H8 118.9 . .
C8 C9 C10 117.9(4) . .
C8 C9 H9 121.0 . .
C10 C9 H9 121.0 . .
N3 C10 C9 120.0(4) . .
N3 C10 C11 112.3(3) . .
C9 C10 C11 127.7(4) . .
N5 C11 N4 116.3(4) . .
N5 C11 C10 125.6(4) . .
N4 C11 C10 118.1(4) . .
N5 C12 C17 129.6(4) . .
N5 C12 C13 109.8(4) . .
C17 C12 C13 120.5(4) . .
N4 C13 C14 131.1(4) . .
N4 C13 C12 108.0(4) . .
C14 C13 C12 120.9(4) . .
C15 C14 C13 117.2(5) . .
C15 C14 H14 121.4 . .
C13 C14 H14 121.4 . .
C14 C15 C16 121.7(5) . .
C14 C15 H15 119.1 . .
C16 C15 H15 119.1 . .
C17 C16 C15 121.6(5) . .
C17 C16 H16 119.2 . .
C15 C16 H16 119.2 . .
C16 C17 C12 117.8(5) . .
C16 C17 H17 121.1 . .
C12 C17 H17 121.1 . .
C19 C18 C23 118.1(4) . .
C19 C18 P1 120.3(3) . .
C23 C18 P1 121.4(3) . .
C18 C19 C20 120.2(4) . .
C18 C19 H19 119.9 . .
C20 C19 H19 119.9 . .
C21 C20 C19 121.0(4) . .
C21 C20 H20 119.5 . .
C19 C20 H20 119.5 . .
C20 C21 C22 119.7(4) . .
C20 C21 H21 120.2 . .
C22 C21 H21 120.2 . .
C23 C22 C21 119.7(4) . .
C23 C22 H22 120.2 . .
C21 C22 H22 120.2 . .
C22 C23 C18 121.3(4) . .
C22 C23 H23 119.3 . .
C18 C23 H23 119.3 . .
C25 C24 C29 118.2(4) . .
C25 C24 P1 121.9(3) . .
C29 C24 P1 119.8(3) . .
C24 C25 C26 120.4(4) . .
C24 C25 H25 119.8 . .
C26 C25 H25 119.8 . .
C27 C26 C25 120.0(5) . .
C27 C26 H26 120.0 . .
C25 C26 H26 120.0 . .
C28 C27 C26 120.4(5) . .
C28 C27 H27 119.8 . .
C26 C27 H27 119.8 . .
C27 C28 C29 120.4(5) . .
C27 C28 H28 119.8 . .
C29 C28 H28 119.8 . .
C28 C29 C24 120.6(5) . .
C28 C29 H29 119.7 . .
C24 C29 H29 119.7 . .
C35 C30 C31 119.0(4) . .
C35 C30 P1 117.0(3) . .
C31 C30 P1 124.0(4) . .
C30 C31 C32 119.3(5) . .
C30 C31 H31 120.3 . .
C32 C31 H31 120.3 . .
C33 C32 C31 121.0(5) . .
C33 C32 H32 119.5 . .
C31 C32 H32 119.5 . .
C32 C33 C34 120.4(5) . .
C32 C33 H33 119.8 . .
C34 C33 H33 119.8 . .
C33 C34 C35 119.3(6) . .
C33 C34 H34 120.3 . .
C35 C34 H34 120.3 . .
C30 C35 C34 120.9(5) . .
C30 C35 H35 119.5 . .
C34 C35 H35 119.5 . .
C41 C36 C37 118.2(5) . .
C41 C36 P2 118.4(4) . .
C37 C36 P2 122.5(4) . .
C36 C37 C38 120.7(6) . .
C36 C37 H37 119.7 . .
C38 C37 H37 119.7 . .
C39 C38 C37 119.4(7) . .
C39 C38 H38 120.3 . .
C37 C38 H38 120.3 . .
C40 C39 C38 120.8(6) . .
C40 C39 H39 119.6 . .
C38 C39 H39 119.6 . .
C39 C40 C41 119.2(7) . .
C39 C40 H40 120.4 . .
C41 C40 H40 120.4 . .
C36 C41 C40 121.6(6) . .
C36 C41 H41 119.2 . .
C40 C41 H41 119.2 . .
C47 C42 C43 118.9(5) . .
C47 C42 P2 117.5(4) . .
C43 C42 P2 123.1(4) . .
C42 C43 C44 120.1(7) . .
C42 C43 H43 120.0 . .
C44 C43 H43 120.0 . .
C45 C44 C43 119.8(7) . .
C45 C44 H44 120.1 . .
C43 C44 H44 120.1 . .
C46 C45 C44 120.9(7) . .
C46 C45 H45 119.6 . .
C44 C45 H45 119.6 . .
C45 C46 C47 120.5(8) . .
C45 C46 H46 119.8 . .
C47 C46 H46 119.8 . .
C42 C47 C46 119.8(7) . .
C42 C47 H47 120.1 . .
C46 C47 H47 120.1 . .
C53 C48 C49 118.2(4) . .
C53 C48 P2 118.0(3) . .
C49 C48 P2 123.2(3) . .
C50 C49 C48 120.6(5) . .
C50 C49 H49 119.7 . .
C48 C49 H49 119.7 . .
C51 C50 C49 120.3(5) . .
C51 C50 H50 119.8 . .
C49 C50 H50 119.8 . .
C50 C51 C52 120.2(5) . .
C50 C51 H51 119.9 . .
C52 C51 H51 119.9 . .
C53 C52 C51 119.6(6) . .
C53 C52 H52 120.2 . .
C51 C52 H52 120.2 . .
C52 C53 C48 121.0(5) . .
C52 C53 H53 119.5 . .
C48 C53 H53 119.5 . .
C55 C54 H54A 109.5 . .
C55 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C55 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
N6 C55 C56 110.0(4) . .
N6 C55 C54 120.7(4) . .
C56 C55 C54 129.4(4) . .
C57 C56 C55 108.5(4) . .
C57 C56 H56 125.8 . .
C55 C56 H56 125.8 . .
C56 C57 N7 105.1(4) . .
C56 C57 C58 128.9(4) . .
N7 C57 C58 125.9(4) . .
C57 C58 H58A 109.5 . .
C57 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C57 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
N8 C59 C60 121.3(4) . .
N8 C59 N7 112.0(4) . .
C60 C59 N7 126.7(4) . .
C61 C60 C59 117.9(4) . .
C61 C60 H60 121.0 . .
C59 C60 H60 121.0 . .
C60 C61 C62 121.4(5) . .
C60 C61 H61 119.3 . .
C62 C61 H61 119.3 . .
C63 C62 C61 118.4(4) . .
C63 C62 H62 120.8 . .
C61 C62 H62 120.8 . .
N8 C63 C62 120.5(4) . .
N8 C63 C64 111.8(4) . .
C62 C63 C64 127.7(4) . .
N10 C64 N9 116.3(4) . .
N10 C64 C63 125.7(4) . .
N9 C64 C63 117.9(3) . .
N10 C65 C70 130.1(4) . .
N10 C65 C66 110.1(3) . .
C70 C65 C66 119.8(4) . .
N9 C66 C67 132.0(4) . .
N9 C66 C65 107.2(4) . .
C67 C66 C65 120.8(4) . .
C68 C67 C66 118.3(4) . .
C68 C67 H67 120.8 . .
C66 C67 H67 120.8 . .
C67 C68 C69 121.2(5) . .
C67 C68 H68 119.4 . .
C69 C68 H68 119.4 . .
C70 C69 C68 121.5(4) . .
C70 C69 H69 119.3 . .
C68 C69 H69 119.3 . .
C69 C70 C65 118.4(4) . .
C69 C70 H70 120.8 . .
C65 C70 H70 120.8 . .
C72 C71 C76 117.8(4) . .
C72 C71 P3 121.3(3) . .
C76 C71 P3 120.8(4) . .
C71 C72 C73 120.4(5) . .
C71 C72 H72 119.8 . .
C73 C72 H72 119.8 . .
C74 C73 C72 120.8(5) . .
C74 C73 H73 119.6 . .
C72 C73 H73 119.6 . .
C73 C74 C75 119.7(5) . .
C73 C74 H74 120.2 . .
C75 C74 H74 120.2 . .
C74 C75 C76 120.6(5) . .
C74 C75 H75 119.7 . .
C76 C75 H75 119.7 . .
C75 C76 C71 120.7(5) . .
C75 C76 H76 119.6 . .
C71 C76 H76 119.6 . .
C78 C77 C82 118.5(4) . .
C78 C77 P3 122.0(3) . .
C82 C77 P3 119.3(3) . .
C79 C78 C77 120.3(5) . .
C79 C78 H78 119.9 . .
C77 C78 H78 119.9 . .
C80 C79 C78 120.6(5) . .
C80 C79 H79 119.7 . .
C78 C79 H79 119.7 . .
C79 C80 C81 120.2(5) . .
C79 C80 H80 119.9 . .
C81 C80 H80 119.9 . .
C80 C81 C82 119.8(5) . .
C80 C81 H81 120.1 . .
C82 C81 H81 120.1 . .
C81 C82 C77 120.7(5) . .
C81 C82 H82 119.7 . .
C77 C82 H82 119.7 . .
C84 C83 C88 118.1(4) . .
C84 C83 P3 124.8(3) . .
C88 C83 P3 117.0(3) . .
C83 C84 C85 121.2(5) . .
C83 C84 H84 119.4 . .
C85 C84 H84 119.4 . .
C86 C85 C84 119.9(5) . .
C86 C85 H85 120.0 . .
C84 C85 H85 120.0 . .
C87 C86 C85 120.0(5) . .
C87 C86 H86 120.0 . .
C85 C86 H86 120.0 . .
C86 C87 C88 120.6(5) . .
C86 C87 H87 119.7 . .
C88 C87 H87 119.7 . .
C87 C88 C83 120.1(5) . .
C87 C88 H88 119.9 . .
C83 C88 H88 119.9 . .
C90 C89 C94 117.3(4) . .
C90 C89 P4 119.5(3) . .
C94 C89 P4 122.7(4) . .
C91 C90 C89 122.0(5) . .
C91 C90 H90 119.0 . .
C89 C90 H90 119.0 . .
C92 C91 C90 119.8(6) . .
C92 C91 H91 120.1 . .
C90 C91 H91 120.1 . .
C91 C92 C93 120.8(6) . .
C91 C92 H92 119.6 . .
C93 C92 H92 119.6 . .
C92 C93 C94 119.9(6) . .
C92 C93 H93 120.1 . .
C94 C93 H93 120.1 . .
C89 C94 C93 120.2(5) . .
C89 C94 H94 119.9 . .
C93 C94 H94 119.9 . .
C96 C95 C100 119.0(5) . .
C96 C95 P4 119.3(4) . .
C100 C95 P4 121.7(4) . .
C95 C96 C97 120.4(6) . .
C95 C96 H96 119.8 . .
C97 C96 H96 119.8 . .
C98 C97 C96 119.9(6) . .
C98 C97 H97 120.0 . .
C96 C97 H97 120.0 . .
C99 C98 C97 120.3(6) . .
C99 C98 H98 119.8 . .
C97 C98 H98 119.8 . .
C98 C99 C100 120.6(7) . .
C98 C99 H99 119.7 . .
C100 C99 H99 119.7 . .
C95 C100 C99 119.8(6) . .
C95 C100 H100 120.1 . .
C99 C100 H100 120.1 . .
C106 C101 C102 118.3(5) . .
C106 C101 P4 117.7(3) . .
C102 C101 P4 123.9(4) . .
C101 C102 C103 120.2(5) . .
C101 C102 H102 119.9 . .
C103 C102 H102 119.9 . .
C104 C103 C102 120.5(6) . .
C104 C103 H103 119.7 . .
C102 C103 H103 119.7 . .
C103 C104 C105 120.0(6) . .
C103 C104 H104 120.0 . .
C105 C104 H104 120.0 . .
C104 C105 C106 119.9(6) . .
C104 C105 H105 120.1 . .
C106 C105 H105 120.1 . .
C101 C106 C105 121.0(5) . .
C101 C106 H106 119.5 . .
C105 C106 H106 119.5 . .
C112 C107 C108 120.8(7) . .
C112 C107 H107 119.6 . .
C108 C107 H107 119.6 . .
C109 C108 C107 120.2(8) . .
C109 C108 H108 119.9 . .
C107 C108 H108 119.9 . .
C108 C109 C110 119.8(9) . .
C108 C109 H109 120.1 . .
C110 C109 H109 120.1 . .
C109 C110 C111 120.0(8) . .
C109 C110 H110 120.0 . .
C111 C110 H110 120.0 . .
C110 C111 C112 120.8(8) . .
C110 C111 H111 119.6 . .
C112 C111 H111 119.6 . .
C107 C112 C111 118.3(7) . .
C107 C112 C113 121.0(7) . .
C111 C112 C113 120.8(8) . .
C112 C113 H11A 109.5 . .
C112 C113 H11B 109.5 . .
H11A C113 H11B 109.5 . .
C112 C113 H11C 109.5 . .
H11A C113 H11C 109.5 . .
H11B C113 H11C 109.5 . .
C114 C114 O1 114.0(10) 2_665 .
C114 C114 H11D 108.8 2_665 .
O1 C114 H11D 108.8 . .
C114 C114 H11E 108.8 2_665 .
O1 C114 H11E 108.8 . .
H11D C114 H11E 107.7 . .
O2 C115 C115 114.5(8) . 2_656
O2 C115 H11F 108.6 . .
C115 C115 H11F 108.6 2_656 .
O2 C115 H11G 108.6 . .
C115 C115 H11G 108.6 2_656 .
H11F C115 H11G 107.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N3 2.043(3) .
Ru1 N1 2.088(3) .
Ru1 N4 2.107(3) .
Ru1 P1 2.3278(11) .
Ru1 P2 2.3363(12) .
Ru1 H1 1.53(4) .
Ru2 N8 2.030(3) .
Ru2 N6 2.064(3) .
Ru2 N9 2.111(3) .
Ru2 P3 2.3250(12) .
Ru2 P4 2.3397(12) .
Ru2 H2 1.52(5) .
P1 C24 1.837(4) .
P1 C18 1.844(4) .
P1 C30 1.856(4) .
P2 C48 1.831(4) .
P2 C36 1.838(4) .
P2 C42 1.838(4) .
P3 C71 1.832(4) .
P3 C83 1.839(4) .
P3 C77 1.845(4) .
P4 C89 1.834(4) .
P4 C101 1.836(4) .
P4 C95 1.841(4) .
N1 C2 1.317(5) .
N1 N2 1.399(4) .
N2 C4 1.373(5) .
N2 C6 1.398(5) .
N3 C10 1.342(5) .
N3 C6 1.344(5) .
N4 C11 1.363(5) .
N4 C13 1.381(5) .
N5 C11 1.338(5) .
N5 C12 1.370(5) .
N6 C55 1.327(5) .
N6 N7 1.394(4) .
N7 C57 1.383(5) .
N7 C59 1.405(5) .
N8 C59 1.341(5) .
N8 C63 1.354(5) .
N9 C64 1.367(5) .
N9 C66 1.384(5) .
N10 C64 1.338(5) .
N10 C65 1.376(6) .
O1 C114 1.411(8) .
O1 H1D 0.8200 .
O2 C115 1.406(7) .
O2 H2A 0.8200 .
C1 C2 1.489(6) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 C3 1.398(6) .
C3 C4 1.355(7) .
C3 H3 0.9300 .
C4 C5 1.492(6) .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 C7 1.384(5) .
C7 C8 1.355(7) .
C7 H7 0.9300 .
C8 C9 1.369(7) .
C8 H8 0.9300 .
C9 C10 1.392(5) .
C9 H9 0.9300 .
C10 C11 1.456(5) .
C12 C17 1.398(6) .
C12 C13 1.402(6) .
C13 C14 1.391(6) .
C14 C15 1.382(7) .
C14 H14 0.9300 .
C15 C16 1.384(8) .
C15 H15 0.9300 .
C16 C17 1.365(8) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C19 1.372(5) .
C18 C23 1.396(6) .
C19 C20 1.384(6) .
C19 H19 0.9300 .
C20 C21 1.363(7) .
C20 H20 0.9300 .
C21 C22 1.373(7) .
C21 H21 0.9300 .
C22 C23 1.372(6) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 C25 1.386(5) .
C24 C29 1.396(6) .
C25 C26 1.391(6) .
C25 H25 0.9300 .
C26 C27 1.368(8) .
C26 H26 0.9300 .
C27 C28 1.361(7) .
C27 H27 0.9300 .
C28 C29 1.377(6) .
C28 H28 0.9300 .
C29 H29 0.9300 .
C30 C35 1.369(6) .
C30 C31 1.382(6) .
C31 C32 1.399(7) .
C31 H31 0.9300 .
C32 C33 1.332(8) .
C32 H32 0.9300 .
C33 C34 1.381(8) .
C33 H33 0.9300 .
C34 C35 1.382(6) .
C34 H34 0.9300 .
C35 H35 0.9300 .
C36 C41 1.374(7) .
C36 C37 1.389(7) .
C37 C38 1.396(8) .
C37 H37 0.9300 .
C38 C39 1.375(11) .
C38 H38 0.9300 .
C39 C40 1.366(11) .
C39 H39 0.9300 .
C40 C41 1.392(7) .
C40 H40 0.9300 .
C41 H41 0.9300 .
C42 C47 1.353(7) .
C42 C43 1.373(7) .
C43 C44 1.388(8) .
C43 H43 0.9300 .
C44 C45 1.338(11) .
C44 H44 0.9300 .
C45 C46 1.329(12) .
C45 H45 0.9300 .
C46 C47 1.395(9) .
C46 H46 0.9300 .
C47 H47 0.9300 .
C48 C53 1.378(6) .
C48 C49 1.390(6) .
C49 C50 1.382(7) .
C49 H49 0.9300 .
C50 C51 1.351(7) .
C50 H50 0.9300 .
C51 C52 1.384(8) .
C51 H51 0.9300 .
C52 C53 1.378(7) .
C52 H52 0.9300 .
C53 H53 0.9300 .
C54 C55 1.457(6) .
C54 H54A 0.9600 .
C54 H54B 0.9600 .
C54 H54C 0.9600 .
C55 C56 1.405(6) .
C56 C57 1.360(6) .
C56 H56 0.9300 .
C57 C58 1.476(6) .
C58 H58A 0.9600 .
C58 H58B 0.9600 .
C58 H58C 0.9600 .
C59 C60 1.383(6) .
C60 C61 1.367(6) .
C60 H60 0.9300 .
C61 C62 1.378(7) .
C61 H61 0.9300 .
C62 C63 1.378(6) .
C62 H62 0.9300 .
C63 C64 1.454(6) .
C65 C70 1.399(6) .
C65 C66 1.415(5) .
C66 C67 1.381(6) .
C67 C68 1.374(6) .
C67 H67 0.9300 .
C68 C69 1.394(7) .
C68 H68 0.9300 .
C69 C70 1.361(7) .
C69 H69 0.9300 .
C70 H70 0.9300 .
C71 C72 1.373(6) .
C71 C76 1.393(6) .
C72 C73 1.388(7) .
C72 H72 0.9300 .
C73 C74 1.351(7) .
C73 H73 0.9300 .
C74 C75 1.359(8) .
C74 H74 0.9300 .
C75 C76 1.370(7) .
C75 H75 0.9300 .
C76 H76 0.9300 .
C77 C78 1.382(6) .
C77 C82 1.390(6) .
C78 C79 1.383(6) .
C78 H78 0.9300 .
C79 C80 1.366(8) .
C79 H79 0.9300 .
C80 C81 1.365(8) .
C80 H80 0.9300 .
C81 C82 1.388(6) .
C81 H81 0.9300 .
C82 H82 0.9300 .
C83 C84 1.373(6) .
C83 C88 1.395(6) .
C84 C85 1.373(7) .
C84 H84 0.9300 .
C85 C86 1.367(8) .
C85 H85 0.9300 .
C86 C87 1.359(8) .
C86 H86 0.9300 .
C87 C88 1.373(7) .
C87 H87 0.9300 .
C88 H88 0.9300 .
C89 C90 1.387(6) .
C89 C94 1.388(6) .
C90 C91 1.372(7) .
C90 H90 0.9300 .
C91 C92 1.347(9) .
C91 H91 0.9300 .
C92 C93 1.362(9) .
C92 H92 0.9300 .
C93 C94 1.399(7) .
C93 H93 0.9300 .
C94 H94 0.9300 .
C95 C96 1.379(7) .
C95 C100 1.387(7) .
C96 C97 1.392(7) .
C96 H96 0.9300 .
C97 C98 1.366(10) .
C97 H97 0.9300 .
C98 C99 1.357(10) .
C98 H98 0.9300 .
C99 C100 1.391(7) .
C99 H99 0.9300 .
C100 H100 0.9300 .
C101 C106 1.378(6) .
C101 C102 1.386(6) .
C102 C103 1.393(8) .
C102 H102 0.9300 .
C103 C104 1.359(9) .
C103 H103 0.9300 .
C104 C105 1.370(9) .
C104 H104 0.9300 .
C105 C106 1.388(7) .
C105 H105 0.9300 .
C106 H106 0.9300 .
C107 C112 1.359(9) .
C107 C108 1.364(10) .
C107 H107 0.9300 .
C108 C109 1.362(12) .
C108 H108 0.9300 .
C109 C110 1.351(12) .
C109 H109 0.9300 .
C110 C111 1.362(11) .
C110 H110 0.9300 .
C111 C112 1.378(9) .
C111 H111 0.9300 .
C112 C113 1.501(10) .
C113 H11A 0.9600 .
C113 H11B 0.9600 .
C113 H11C 0.9600 .
C114 C114 1.371(15) 2_665
C114 H11D 0.9700 .
C114 H11E 0.9700 .
C115 C115 1.435(12) 2_656
C115 H11F 0.9700 .
C115 H11G 0.9700 .
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
C2 N1 N2 C4 -2.1(4)
Ru1 N1 N2 C4 172.5(3)
C2 N1 N2 C6 179.2(3)
Ru1 N1 N2 C6 -6.2(4)
C55 N6 N7 C57 0.3(4)
Ru2 N6 N7 C57 179.1(2)
C55 N6 N7 C59 -179.9(3)
Ru2 N6 N7 C59 -1.2(4)
N2 N1 C2 C3 1.1(5)
Ru1 N1 C2 C3 -170.7(3)
N2 N1 C2 C1 -176.5(4)
Ru1 N1 C2 C1 11.7(7)
N1 C2 C3 C4 0.2(5)
C1 C2 C3 C4 177.6(5)
C2 C3 C4 N2 -1.4(5)
C2 C3 C4 C5 174.7(4)
C6 N2 C4 C3 -179.3(4)
N1 N2 C4 C3 2.2(5)
C6 N2 C4 C5 4.5(7)
N1 N2 C4 C5 -174.0(4)
C10 N3 C6 C7 -4.1(6)
Ru1 N3 C6 C7 174.1(3)
C10 N3 C6 N2 176.6(3)
Ru1 N3 C6 N2 -5.2(4)
C4 N2 C6 N3 -171.0(4)
N1 N2 C6 N3 7.4(5)
C4 N2 C6 C7 9.8(7)
N1 N2 C6 C7 -171.8(4)
N3 C6 C7 C8 1.1(6)
N2 C6 C7 C8 -179.7(4)
C6 C7 C8 C9 1.8(8)
C7 C8 C9 C10 -1.7(8)
C6 N3 C10 C9 4.2(6)
Ru1 N3 C10 C9 -174.0(3)
C6 N3 C10 C11 -176.3(3)
Ru1 N3 C10 C11 5.5(4)
C8 C9 C10 N3 -1.3(7)
C8 C9 C10 C11 179.3(4)
C12 N5 C11 N4 0.4(5)
C12 N5 C11 C10 -179.5(4)
C13 N4 C11 N5 0.6(5)
Ru1 N4 C11 N5 -174.1(3)
C13 N4 C11 C10 -179.5(3)
Ru1 N4 C11 C10 5.9(4)
N3 C10 C11 N5 172.5(4)
C9 C10 C11 N5 -8.0(7)
N3 C10 C11 N4 -7.5(5)
C9 C10 C11 N4 172.0(4)
C11 N5 C12 C17 176.0(5)
C11 N5 C12 C13 -1.3(5)
C11 N4 C13 C14 177.5(4)
Ru1 N4 C13 C14 -11.0(8)
C11 N4 C13 C12 -1.3(4)
Ru1 N4 C13 C12 170.2(3)
N5 C12 C13 N4 1.7(5)
C17 C12 C13 N4 -175.8(4)
N5 C12 C13 C14 -177.2(4)
C17 C12 C13 C14 5.2(7)
N4 C13 C14 C15 177.1(4)
C12 C13 C14 C15 -4.3(7)
C13 C14 C15 C16 0.6(8)
C14 C15 C16 C17 2.4(10)
C15 C16 C17 C12 -1.5(9)
N5 C12 C17 C16 -179.2(5)
C13 C12 C17 C16 -2.2(8)
C24 P1 C18 C19 95.1(4)
C30 P1 C18 C19 -158.2(4)
Ru1 P1 C18 C19 -32.5(4)
C24 P1 C18 C23 -79.9(4)
C30 P1 C18 C23 26.8(4)
Ru1 P1 C18 C23 152.5(3)
C23 C18 C19 C20 -0.1(7)
P1 C18 C19 C20 -175.2(4)
C18 C19 C20 C21 -0.6(8)
C19 C20 C21 C22 1.0(9)
C20 C21 C22 C23 -0.5(9)
C21 C22 C23 C18 -0.2(8)
C19 C18 C23 C22 0.5(7)
P1 C18 C23 C22 175.6(4)
C18 P1 C24 C25 -15.2(4)
C30 P1 C24 C25 -117.8(3)
Ru1 P1 C24 C25 115.2(3)
C18 P1 C24 C29 168.8(3)
C30 P1 C24 C29 66.2(4)
Ru1 P1 C24 C29 -60.8(4)
C29 C24 C25 C26 0.5(6)
P1 C24 C25 C26 -175.6(3)
C24 C25 C26 C27 -1.4(7)
C25 C26 C27 C28 1.3(8)
C26 C27 C28 C29 -0.4(9)
C27 C28 C29 C24 -0.4(8)
C25 C24 C29 C28 0.3(7)
P1 C24 C29 C28 176.5(4)
C24 P1 C30 C35 166.6(3)
C18 P1 C30 C35 62.8(3)
Ru1 P1 C30 C35 -66.1(3)
C24 P1 C30 C31 -13.6(4)
C18 P1 C30 C31 -117.4(4)
Ru1 P1 C30 C31 113.7(3)
C35 C30 C31 C32 1.1(6)
P1 C30 C31 C32 -178.7(3)
C30 C31 C32 C33 -2.0(7)
C31 C32 C33 C34 2.3(8)
C32 C33 C34 C35 -1.7(8)
C31 C30 C35 C34 -0.5(7)
P1 C30 C35 C34 179.3(4)
C33 C34 C35 C30 0.8(8)
C48 P2 C36 C41 -148.6(4)
C42 P2 C36 C41 -49.3(4)
Ru1 P2 C36 C41 81.3(4)
C48 P2 C36 C37 42.2(4)
C42 P2 C36 C37 141.4(4)
Ru1 P2 C36 C37 -87.9(4)
C41 C36 C37 C38 4.0(7)
P2 C36 C37 C38 173.2(4)
C36 C37 C38 C39 -1.8(8)
C37 C38 C39 C40 -1.5(10)
C38 C39 C40 C41 2.6(10)
C37 C36 C41 C40 -2.9(7)
P2 C36 C41 C40 -172.6(4)
C39 C40 C41 C36 -0.4(9)
C48 P2 C42 C47 -89.7(5)
C36 P2 C42 C47 163.3(5)
Ru1 P2 C42 C47 39.6(5)
C48 P2 C42 C43 82.5(5)
C36 P2 C42 C43 -24.5(5)
Ru1 P2 C42 C43 -148.2(4)
C47 C42 C43 C44 -2.7(10)
P2 C42 C43 C44 -174.8(5)
C42 C43 C44 C45 2.2(12)
C43 C44 C45 C46 -0.9(15)
C44 C45 C46 C47 0.2(16)
C43 C42 C47 C46 2.0(11)
P2 C42 C47 C46 174.5(7)
C45 C46 C47 C42 -0.8(15)
C36 P2 C48 C53 -166.1(4)
C42 P2 C48 C53 88.9(4)
Ru1 P2 C48 C53 -41.6(5)
C36 P2 C48 C49 22.8(4)
C42 P2 C48 C49 -82.2(4)
Ru1 P2 C48 C49 147.3(3)
C53 C48 C49 C50 1.0(8)
P2 C48 C49 C50 172.1(4)
C48 C49 C50 C51 -1.3(9)
C49 C50 C51 C52 -1.1(10)
C50 C51 C52 C53 3.7(12)
C51 C52 C53 C48 -4.0(12)
C49 C48 C53 C52 1.6(9)
P2 C48 C53 C52 -170.0(6)
N7 N6 C55 C56 0.1(4)
Ru2 N6 C55 C56 -178.1(3)
N7 N6 C55 C54 -179.4(4)
Ru2 N6 C55 C54 2.4(7)
N6 C55 C56 C57 -0.4(5)
C54 C55 C56 C57 179.0(4)
C55 C56 C57 N7 0.6(5)
C55 C56 C57 C58 179.9(4)
N6 N7 C57 C56 -0.6(4)
C59 N7 C57 C56 179.7(4)
N6 N7 C57 C58 -179.9(4)
C59 N7 C57 C58 0.4(7)
C63 N8 C59 C60 -1.2(6)
Ru2 N8 C59 C60 173.0(3)
C63 N8 C59 N7 179.8(3)
Ru2 N8 C59 N7 -6.0(4)
C57 N7 C59 N8 -175.8(4)
N6 N7 C59 N8 4.5(5)
C57 N7 C59 C60 5.2(7)
N6 N7 C59 C60 -174.5(4)
N8 C59 C60 C61 0.8(7)
N7 C59 C60 C61 179.7(4)
C59 C60 C61 C62 -0.1(8)
C60 C61 C62 C63 -0.3(8)
C59 N8 C63 C62 0.8(6)
Ru2 N8 C63 C62 -173.4(3)
C59 N8 C63 C64 -179.9(3)
Ru2 N8 C63 C64 5.9(5)
C61 C62 C63 N8 -0.1(7)
C61 C62 C63 C64 -179.2(5)
C65 N10 C64 N9 1.7(5)
C65 N10 C64 C63 -177.1(4)
C66 N9 C64 N10 -1.5(5)
Ru2 N9 C64 N10 -175.8(3)
C66 N9 C64 C63 177.5(3)
Ru2 N9 C64 C63 3.2(4)
N8 C63 C64 N10 173.0(4)
C62 C63 C64 N10 -7.8(7)
N8 C63 C64 N9 -5.9(5)
C62 C63 C64 N9 173.4(4)
C64 N10 C65 C70 177.0(5)
C64 N10 C65 C66 -1.3(5)
C64 N9 C66 C67 -178.5(4)
Ru2 N9 C66 C67 -7.3(8)
C64 N9 C66 C65 0.6(4)
Ru2 N9 C66 C65 171.7(3)
N10 C65 C66 N9 0.4(5)
C70 C65 C66 N9 -178.0(4)
N10 C65 C66 C67 179.6(4)
C70 C65 C66 C67 1.2(6)
N9 C66 C67 C68 178.2(4)
C65 C66 C67 C68 -0.7(6)
C66 C67 C68 C69 -0.1(7)
C67 C68 C69 C70 0.5(8)
C68 C69 C70 C65 0.0(8)
N10 C65 C70 C69 -178.9(5)
C66 C65 C70 C69 -0.8(7)
C83 P3 C71 C72 -153.8(4)
C77 P3 C71 C72 100.2(4)
Ru2 P3 C71 C72 -27.3(4)
C83 P3 C71 C76 30.9(4)
C77 P3 C71 C76 -75.1(4)
Ru2 P3 C71 C76 157.4(4)
C76 C71 C72 C73 -1.4(7)
P3 C71 C72 C73 -176.9(4)
C71 C72 C73 C74 0.1(8)
C72 C73 C74 C75 1.6(9)
C73 C74 C75 C76 -2.0(10)
C74 C75 C76 C71 0.6(10)
C72 C71 C76 C75 1.0(8)
P3 C71 C76 C75 176.5(5)
C71 P3 C77 C78 -12.7(4)
C83 P3 C77 C78 -116.0(4)
Ru2 P3 C77 C78 116.3(3)
C71 P3 C77 C82 173.0(3)
C83 P3 C77 C82 69.6(4)
Ru2 P3 C77 C82 -58.0(4)
C82 C77 C78 C79 0.5(7)
P3 C77 C78 C79 -173.9(4)
C77 C78 C79 C80 0.7(8)
C78 C79 C80 C81 -1.5(9)
C79 C80 C81 C82 1.1(8)
C80 C81 C82 C77 0.1(7)
C78 C77 C82 C81 -0.9(6)
P3 C77 C82 C81 173.7(3)
C71 P3 C83 C84 -120.9(4)
C77 P3 C83 C84 -16.0(4)
Ru2 P3 C83 C84 111.3(4)
C71 P3 C83 C88 61.2(4)
C77 P3 C83 C88 166.1(4)
Ru2 P3 C83 C88 -66.6(4)
C88 C83 C84 C85 1.8(7)
P3 C83 C84 C85 -176.1(4)
C83 C84 C85 C86 -1.2(9)
C84 C85 C86 C87 -0.7(9)
C85 C86 C87 C88 2.1(9)
C86 C87 C88 C83 -1.4(9)
C84 C83 C88 C87 -0.5(8)
P3 C83 C88 C87 177.6(4)
C101 P4 C89 C90 -57.6(4)
C95 P4 C89 C90 -163.1(4)
Ru2 P4 C89 C90 66.6(4)
C101 P4 C89 C94 131.4(4)
C95 P4 C89 C94 25.8(5)
Ru2 P4 C89 C94 -104.4(4)
C94 C89 C90 C91 -0.6(8)
P4 C89 C90 C91 -172.1(4)
C89 C90 C91 C92 1.1(10)
C90 C91 C92 C93 -1.2(12)
C91 C92 C93 C94 0.9(12)
C90 C89 C94 C93 0.3(8)
P4 C89 C94 C93 171.5(5)
C92 C93 C94 C89 -0.5(11)
C89 P4 C95 C96 -73.1(4)
C101 P4 C95 C96 179.5(4)
Ru2 P4 C95 C96 52.7(4)
C89 P4 C95 C100 108.8(4)
C101 P4 C95 C100 1.5(4)
Ru2 P4 C95 C100 -125.4(4)
C100 C95 C96 C97 0.1(7)
P4 C95 C96 C97 -178.0(4)
C95 C96 C97 C98 -0.3(9)
C96 C97 C98 C99 0.6(11)
C97 C98 C99 C100 -0.7(11)
C96 C95 C100 C99 -0.2(8)
P4 C95 C100 C99 177.9(4)
C98 C99 C100 C95 0.5(10)
C89 P4 C101 C106 172.8(4)
C95 P4 C101 C106 -80.6(4)
Ru2 P4 C101 C106 49.7(4)
C89 P4 C101 C102 -10.3(4)
C95 P4 C101 C102 96.4(4)
Ru2 P4 C101 C102 -133.4(4)
C106 C101 C102 C103 -2.7(7)
P4 C101 C102 C103 -179.6(4)
C101 C102 C103 C104 1.1(9)
C102 C103 C104 C105 1.2(11)
C103 C104 C105 C106 -1.9(10)
C102 C101 C106 C105 2.0(7)
P4 C101 C106 C105 179.1(4)
C104 C105 C106 C101 0.3(9)
C112 C107 C108 C109 0.3(13)
C107 C108 C109 C110 3.2(15)
C108 C109 C110 C111 -3.8(16)
C109 C110 C111 C112 0.9(15)
C108 C107 C112 C111 -3.1(11)
C108 C107 C112 C113 176.7(8)
C110 C111 C112 C107 2.5(12)
C110 C111 C112 C113 -177.3(8)
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
_platon_squeeze_void_content
1 0.000 0.500 1.000 249 52 ' '
2 0.216 0.466 0.455 21 1 ' '
3 0.167 0.646 0.639 7 0 ' '
4 0.783 0.534 0.545 21 1 ' '
5 0.833 0.354 0.361 7 0 ' '
