# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2004

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Seiji Ogo'
_publ_contact_author_address     
;
Department of Material and Life Science, Graduate School of Engineering,
Osaka University, Suita 565-0871, Japan
;
_publ_contact_author_email       ogo@ap.chem.eng.osaka-u.ac.jp
_publ_contact_author_fax         ' +81-6-6879-7370 '
_publ_contact_author_phone       ' +81-6-6879-4140 '
_publ_contact_letter             
;
?
;
_publ_requested_category         ' CHOOSE FI FM FO CI CM CO or AD'

_publ_requested_coeditor_name    ?
#------------------------------------------------------------------------------
# TITLE AND AUTHOR LIST

_publ_section_title              
;
Aqueous Hydrogenation of Carbon Dioxide Catalysed by Water-Soluble
Ruthenium Aqua Complexes under Acidic Conditions
;

_publ_section_references         
;
Molecular Structure Corporation, Rigaku Corporation. (2000). teXsan.
Single Crystal Structure Analysis Software. Version 1.11.
MSC, 3200 Research Forest Drive, The Woodlands, TX 77381, USA.
Rigaku, 3-9-12 Akishima, Tokyo, Japan.
;
loop_
_publ_author_name
'Seiji Ogo'
'Shunichi Fukuzumi'
'Hideki Hayashi'

#------------------------------------------------------------------------------
data_[(C6Me6)Ru(4,4'-OMe-bpy)(OH2)](PF6)2(H2O)2
_database_code_depnum_ccdc_archive 'CCDC 245736'
_audit_creation_date             'Fri Jul 23 16:59:38 2004'
_audit_creation_method           'by teXsan'
_audit_update_record             ?
#------------------------------------------------------------------------------
# CHEMICAL DATA
_chemical_formula_sum            'C24 H36 F12 N2 O5 P2 Ru '
_chemical_formula_moiety         
;
[(C6Me6)Ru(4,4'-OMe-bpy)(OH2)](PF6)2(H2O)2
;
_chemical_formula_weight         823.56
_chemical_melting_point          ?
#------------------------------------------------------------------------------
# CRYSTAL DATA
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2+y,-z
-x,-y,-z
1/2+x,1/2-y,z
_cell_length_a                   15.511(5)
_cell_length_b                   12.878(4)
_cell_length_c                   16.840(5)
_cell_angle_alpha                90
_cell_angle_beta                 106.376(3)
_cell_angle_gamma                90
_cell_volume                     3227(1)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8361
_cell_measurement_theta_min      3.1
_cell_measurement_theta_max      27.5
_cell_measurement_temperature    173.2
#------------------------------------------------------------------------------
_exptl_crystal_description       Block
_exptl_crystal_colour            Orange
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_crystal_size_rad          ?
_exptl_crystal_density_diffrn    1.695
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_absorpt_coefficient_mu    0.691
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_absorpt_correction_T_min  0.867
_exptl_absorpt_correction_T_max  0.937
#------------------------------------------------------------------------------
# EXPERIMENTAL DATA
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_detector_area_resol_mean 14.62
_diffrn_reflns_number            25926
_diffrn_reflns_av_R_equivalents  0.035
_diffrn_reflns_theta_max         27.49
_diffrn_measured_fraction_theta_max 0.9750
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.9750
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       20
#------------------------------------------------------------------------------
# REFINEMENT DATA
_refine_special_details          
;
Refinement using reflections with F^2^ > -10.0 sigma(F^2^). The weighted
R-factor (wR) and goodness of fit (S) are based on F^2^. R-factor (gt) are
based on F. The threshold expression of F^2^ > 2.0 sigma(F^2^) is used only
for calculating R-factor (gt).
;
_reflns_number_total             7212
_reflns_number_gt                5317
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0500
_refine_ls_wR_factor_ref         0.1475
_refine_ls_hydrogen_treatment    
'Positions (x, y, z) of H1 and H2 were refined.'
_refine_ls_number_reflns         7212
_refine_ls_number_parameters     423
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[\s^2^(Fo^2^) + (0.09000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_shift/su_max          0.0002
_refine_diff_density_max         1.17
_refine_diff_density_min         -0.75
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
F F 0.017 0.010
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
P P 0.102 0.094
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Ru Ru -1.259 0.836
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
#------------------------------------------------------------------------------
# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru(1) Ru 0.10499(2) 0.16428(2) 0.24615(2) 0.03532(9) Uani 1.00 d . . .
P(1) P 0.22297(9) 0.74911(10) 0.10280(7) 0.0549(3) Uani 1.00 d . . .
P(2) P 0.0918(1) 0.6272(1) 0.40794(9) 0.0670(4) Uani 1.00 d . . .
F(1) F 0.2601(3) 0.8109(4) 0.0399(3) 0.134(2) Uani 1.00 d . . .
F(2) F 0.1734(3) 0.6726(3) 0.0298(2) 0.117(2) Uani 1.00 d . . .
F(3) F 0.1352(2) 0.8206(3) 0.0762(2) 0.090(1) Uani 1.00 d . . .
F(4) F 0.1811(3) 0.6884(4) 0.1629(3) 0.126(2) Uani 1.00 d . . .
F(5) F 0.2653(3) 0.8264(3) 0.1737(3) 0.117(2) Uani 1.00 d . . .
F(6) F 0.3083(4) 0.6813(5) 0.1283(3) 0.161(2) Uani 1.00 d . . .
F(7) F 0.1334(7) 0.5286(6) 0.3931(7) 0.281(5) Uani 1.00 d . . .
F(8) F 0.0530(9) 0.6477(8) 0.3222(3) 0.320(5) Uani 1.00 d . . .
F(9) F 0.0108(4) 0.5683(6) 0.4147(5) 0.222(3) Uani 1.00 d . . .
F(10) F 0.0575(5) 0.7323(5) 0.4258(5) 0.203(3) Uani 1.00 d . . .
F(11) F 0.1257(6) 0.6148(6) 0.5037(3) 0.213(3) Uani 1.00 d . . .
F(12) F 0.1776(5) 0.6814(7) 0.4130(7) 0.258(5) Uani 1.00 d . . .
O(1) O 0.2208(3) 0.0943(3) 0.2234(2) 0.060(1) Uani 1.00 d . . .
O(2) O 0.0829(2) 0.4601(2) -0.0495(2) 0.0540(9) Uani 1.00 d . . .
O(3) O 0.3720(2) 0.5259(3) 0.3757(2) 0.0617(10) Uani 1.00 d . . .
O(4) O 0.2224(3) 0.0523(3) 0.0686(2) 0.088(1) Uani 1.00 d . . .
O(5) O 0.6727(3) 0.0338(5) 0.6691(4) 0.158(3) Uani 1.00 d . . .
N(1) N 0.1012(2) 0.2528(2) 0.1412(2) 0.0364(8) Uani 1.00 d . . .
N(2) N 0.1979(2) 0.2828(3) 0.2913(2) 0.0389(8) Uani 1.00 d . . .
C(1) C -0.0022(3) 0.2156(4) 0.2975(3) 0.055(1) Uani 1.00 d . . .
C(2) C -0.0417(3) 0.1712(4) 0.2200(3) 0.059(1) Uani 1.00 d . . .
C(3) C -0.0185(3) 0.0687(4) 0.2016(3) 0.062(1) Uani 1.00 d . . .
C(4) C 0.0471(4) 0.0126(3) 0.2633(3) 0.059(1) Uani 1.00 d . . .
C(5) C 0.0848(3) 0.0566(4) 0.3432(3) 0.055(1) Uani 1.00 d . . .
C(6) C 0.0588(3) 0.1572(4) 0.3602(3) 0.056(1) Uani 1.00 d . . .
C(7) C -0.0259(6) 0.3254(5) 0.3165(5) 0.110(3) Uani 1.00 d . . .
C(8) C -0.1102(4) 0.2324(6) 0.1546(4) 0.103(2) Uani 1.00 d . . .
C(9) C -0.0631(6) 0.0182(7) 0.1191(4) 0.127(3) Uani 1.00 d . . .
C(10) C 0.0793(6) -0.0939(5) 0.2458(5) 0.116(3) Uani 1.00 d . . .
C(11) C 0.1487(5) -0.0041(6) 0.4117(4) 0.102(2) Uani 1.00 d . . .
C(12) C 0.0943(5) 0.2054(7) 0.4438(3) 0.102(2) Uani 1.00 d . . .
C(13) C 0.0567(3) 0.2280(3) 0.0630(2) 0.045(1) Uani 1.00 d . . .
C(14) C 0.0492(3) 0.2916(3) -0.0034(2) 0.043(1) Uani 1.00 d . . .
C(15) C 0.0869(3) 0.3894(3) 0.0096(2) 0.0390(10) Uani 1.00 d . . .
C(16) C 0.0378(4) 0.4325(4) -0.1334(2) 0.061(1) Uani 1.00 d . . .
C(17) C 0.1357(3) 0.4160(3) 0.0903(2) 0.0396(10) Uani 1.00 d . . .
C(18) C 0.1426(2) 0.3472(3) 0.1538(2) 0.0335(9) Uani 1.00 d . . .
C(19) C 0.1986(2) 0.3630(3) 0.2400(2) 0.0376(9) Uani 1.00 d . . .
C(20) C 0.2543(3) 0.4485(3) 0.2645(2) 0.042(1) Uani 1.00 d . . .
C(21) C 0.3145(3) 0.4477(3) 0.3434(2) 0.047(1) Uani 1.00 d . . .
C(22) C 0.3634(4) 0.6210(4) 0.3299(3) 0.073(2) Uani 1.00 d . . .
C(23) C 0.3172(3) 0.3619(4) 0.3932(2) 0.051(1) Uani 1.00 d . . .
C(24) C 0.2587(3) 0.2831(3) 0.3657(2) 0.048(1) Uani 1.00 d . . .
H(1) H 0.251(4) 0.054(4) 0.254(3) 0.06(1) Uiso 1.00 calc . . .
H(2) H 0.215(4) 0.079(4) 0.186(3) 0.05(1) Uiso 1.00 calc . . .
H(3) H 0.0272 0.3671 0.3328 0.1312 Uiso 1.00 calc . . .
H(4) H -0.0668 0.3556 0.2696 0.1312 Uiso 1.00 calc . . .
H(5) H -0.0526 0.3244 0.3614 0.1312 Uiso 1.00 calc . . .
H(6) H -0.1593 0.2509 0.1742 0.1302 Uiso 1.00 calc . . .
H(7) H -0.0824 0.2933 0.1411 0.1302 Uiso 1.00 calc . . .
H(8) H -0.1309 0.1909 0.1058 0.1302 Uiso 1.00 calc . . .
H(9) H -0.0918 -0.0436 0.1261 0.1519 Uiso 1.00 calc . . .
H(10) H -0.1034 0.0646 0.0840 0.1519 Uiso 1.00 calc . . .
H(11) H -0.0163 0.0011 0.0923 0.1519 Uiso 1.00 calc . . .
H(12) H 0.0500 -0.1129 0.1894 0.1394 Uiso 1.00 calc . . .
H(13) H 0.1434 -0.0899 0.2507 0.1394 Uiso 1.00 calc . . .
H(14) H 0.0693 -0.1433 0.2819 0.1394 Uiso 1.00 calc . . .
H(15) H 0.1596 -0.0707 0.3908 0.1255 Uiso 1.00 calc . . .
H(16) H 0.1220 -0.0150 0.4556 0.1255 Uiso 1.00 calc . . .
H(17) H 0.2033 0.0317 0.4315 0.1255 Uiso 1.00 calc . . .
H(18) H 0.1259 0.2684 0.4382 0.1252 Uiso 1.00 calc . . .
H(19) H 0.0463 0.2227 0.4656 0.1252 Uiso 1.00 calc . . .
H(20) H 0.1347 0.1599 0.4797 0.1252 Uiso 1.00 calc . . .
H(21) H 0.0289 0.1614 0.0529 0.0540 Uiso 1.00 calc . . .
H(22) H 0.0186 0.2696 -0.0578 0.0509 Uiso 1.00 calc . . .
H(23) H -0.0225 0.4137 -0.1380 0.0749 Uiso 1.00 calc . . .
H(24) H 0.0678 0.3730 -0.1485 0.0749 Uiso 1.00 calc . . .
H(25) H 0.0399 0.4877 -0.1692 0.0749 Uiso 1.00 calc . . .
H(26) H 0.1642 0.4821 0.1007 0.0468 Uiso 1.00 calc . . .
H(27) H 0.2516 0.5057 0.2284 0.0498 Uiso 1.00 calc . . .
H(28) H 0.3717 0.6075 0.2767 0.0855 Uiso 1.00 calc . . .
H(29) H 0.3047 0.6489 0.3224 0.0855 Uiso 1.00 calc . . .
H(30) H 0.4069 0.6694 0.3585 0.0855 Uiso 1.00 calc . . .
H(31) H 0.3596 0.3583 0.4459 0.0607 Uiso 1.00 calc . . .
H(32) H 0.2607 0.2256 0.4012 0.0579 Uiso 1.00 calc . . .
H(33) H 0.2526 0.0954 0.0497 0.0562 Uiso 1.00 calc . . .
H(34) H 0.1679 0.0198 0.0571 0.0562 Uiso 1.00 calc . . .
H(35) H 0.6478 -0.0183 0.6333 0.0562 Uiso 1.00 calc . . .
H(36) H 0.6286 0.0730 0.6640 0.0562 Uiso 1.00 calc . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ru(1) 0.0395(2) 0.0366(2) 0.0304(2) -0.0014(1) 0.0107(1) 0.0038(1)
P(1) 0.0578(7) 0.0550(7) 0.0528(6) -0.0008(5) 0.0171(6) 0.0004(5)
P(2) 0.0605(8) 0.0623(8) 0.0725(9) -0.0042(6) 0.0096(7) -0.0084(7)
F(1) 0.079(3) 0.220(5) 0.112(3) -0.024(3) 0.043(2) 0.051(3)
F(2) 0.162(4) 0.079(3) 0.089(2) 0.002(2) 0.002(3) -0.025(2)
F(3) 0.069(2) 0.084(2) 0.111(3) 0.013(2) 0.016(2) 0.000(2)
F(4) 0.150(4) 0.138(4) 0.099(3) -0.036(3) 0.050(3) 0.034(3)
F(5) 0.101(3) 0.140(4) 0.097(3) -0.032(3) 0.005(2) -0.049(2)
F(6) 0.148(4) 0.216(6) 0.106(3) 0.132(4) 0.018(3) 0.020(3)
F(7) 0.30(1) 0.134(6) 0.46(1) 0.068(6) 0.19(1) -0.071(7)
F(8) 0.52(2) 0.32(1) 0.060(3) -0.03(1) -0.024(6) 0.011(4)
F(9) 0.138(5) 0.258(8) 0.256(7) -0.114(6) 0.030(5) 0.027(6)
F(10) 0.235(7) 0.115(4) 0.257(7) 0.053(5) 0.066(6) -0.031(5)
F(11) 0.270(9) 0.194(6) 0.121(4) -0.047(6) -0.034(5) 0.017(4)
F(12) 0.141(6) 0.279(10) 0.40(1) -0.080(6) 0.146(7) -0.030(8)
O(1) 0.058(2) 0.069(2) 0.055(2) 0.015(2) 0.019(2) -0.002(2)
O(2) 0.072(2) 0.050(2) 0.036(1) -0.006(1) 0.009(1) 0.012(1)
O(3) 0.066(2) 0.062(2) 0.051(2) -0.025(2) 0.006(1) -0.012(1)
O(4) 0.121(4) 0.071(3) 0.087(3) -0.003(2) 0.052(3) -0.003(2)
O(5) 0.076(3) 0.142(5) 0.226(7) 0.030(3) -0.008(4) 0.051(5)
N(1) 0.034(2) 0.044(2) 0.030(1) -0.005(1) 0.009(1) 0.005(1)
N(2) 0.042(2) 0.042(2) 0.031(1) -0.003(1) 0.008(1) 0.000(1)
C(1) 0.058(3) 0.049(2) 0.070(3) 0.002(2) 0.038(2) 0.009(2)
C(2) 0.039(2) 0.075(3) 0.065(3) -0.002(2) 0.020(2) 0.028(3)
C(3) 0.069(3) 0.076(3) 0.045(2) -0.039(3) 0.021(2) -0.001(2)
C(4) 0.081(3) 0.039(2) 0.073(3) -0.010(2) 0.045(3) 0.005(2)
C(5) 0.058(3) 0.060(3) 0.049(2) 0.006(2) 0.021(2) 0.024(2)
C(6) 0.067(3) 0.071(3) 0.040(2) -0.010(2) 0.033(2) -0.002(2)
C(7) 0.139(7) 0.059(4) 0.172(7) 0.018(4) 0.110(6) 0.002(4)
C(8) 0.050(3) 0.153(7) 0.101(4) 0.015(4) 0.012(3) 0.060(5)
C(9) 0.161(7) 0.144(7) 0.065(3) -0.112(6) 0.012(4) -0.016(4)
C(10) 0.185(8) 0.046(3) 0.158(7) -0.008(4) 0.114(7) -0.004(4)
C(11) 0.102(5) 0.109(5) 0.094(4) 0.024(4) 0.027(4) 0.064(4)
C(12) 0.108(5) 0.157(7) 0.053(3) -0.021(5) 0.041(3) -0.026(4)
C(13) 0.046(2) 0.053(2) 0.035(2) -0.018(2) 0.006(2) 0.000(2)
C(14) 0.039(2) 0.056(2) 0.032(2) -0.009(2) 0.006(1) 0.001(2)
C(15) 0.037(2) 0.045(2) 0.036(2) 0.004(2) 0.012(2) 0.006(2)
C(16) 0.077(3) 0.066(3) 0.033(2) 0.000(3) 0.005(2) 0.015(2)
C(17) 0.043(2) 0.041(2) 0.036(2) -0.006(2) 0.013(2) 0.001(2)
C(18) 0.029(2) 0.040(2) 0.033(2) 0.002(1) 0.011(1) -0.002(1)
C(19) 0.034(2) 0.041(2) 0.036(2) 0.003(2) 0.007(1) -0.006(2)
C(20) 0.048(2) 0.044(2) 0.034(2) -0.006(2) 0.012(2) 0.000(2)
C(21) 0.046(2) 0.056(3) 0.037(2) -0.006(2) 0.008(2) -0.008(2)
C(22) 0.085(4) 0.069(3) 0.060(3) -0.036(3) 0.013(3) -0.011(3)
C(23) 0.050(2) 0.062(3) 0.033(2) -0.004(2) -0.001(2) -0.003(2)
C(24) 0.062(3) 0.047(2) 0.034(2) -0.001(2) 0.010(2) 0.002(2)
#------------------------------------------------------------------------------
_computing_data_collection       CRYSTALCLEAR
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_structure_solution    SIR92
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_molecular_graphics    ?
#------------------------------------------------------------------------------
_geom_special_details            
;
?
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru(1) O(1) 2.139(4) . . yes
Ru(1) N(1) 2.089(3) . . yes
Ru(1) N(2) 2.090(3) . . yes
Ru(1) C(1) 2.182(4) . . yes
Ru(1) C(2) 2.194(4) . . yes
Ru(1) C(3) 2.221(4) . . yes
Ru(1) C(4) 2.203(4) . . yes
Ru(1) C(5) 2.231(4) . . yes
Ru(1) C(6) 2.233(4) . . yes
P(1) F(1) 1.559(4) . . yes
P(1) F(2) 1.594(4) . . yes
P(1) F(3) 1.599(4) . . yes
P(1) F(4) 1.559(4) . . yes
P(1) F(5) 1.550(4) . . yes
P(1) F(6) 1.542(4) . . yes
P(2) F(7) 1.477(6) . . yes
P(2) F(8) 1.423(6) . . yes
P(2) F(9) 1.499(5) . . yes
P(2) F(10) 1.516(6) . . yes
P(2) F(11) 1.556(6) . . yes
P(2) F(12) 1.484(6) . . yes
O(2) C(15) 1.337(4) . . yes
O(2) C(16) 1.433(5) . . yes
O(3) C(21) 1.353(5) . . yes
O(3) C(22) 1.433(6) . . yes
N(1) C(13) 1.342(4) . . yes
N(1) C(18) 1.363(4) . . yes
N(2) C(19) 1.348(5) . . yes
N(2) C(24) 1.339(5) . . yes
C(1) C(2) 1.398(7) . . yes
C(1) C(6) 1.420(7) . . yes
C(1) C(7) 1.517(7) . . yes
C(2) C(3) 1.425(7) . . yes
C(2) C(8) 1.517(7) . . yes
C(3) C(4) 1.429(7) . . yes
C(3) C(9) 1.514(7) . . yes
C(4) C(5) 1.424(7) . . yes
C(4) C(10) 1.517(8) . . yes
C(5) C(6) 1.409(7) . . yes
C(5) C(11) 1.510(7) . . yes
C(6) C(12) 1.495(7) . . yes
C(13) C(14) 1.364(5) . . yes
C(14) C(15) 1.381(6) . . yes
C(15) C(17) 1.399(5) . . yes
C(17) C(18) 1.370(5) . . yes
C(18) C(19) 1.481(5) . . yes
C(19) C(20) 1.388(5) . . yes
C(20) C(21) 1.393(5) . . yes
C(21) C(23) 1.380(6) . . yes
C(23) C(24) 1.353(6) . . yes
#------------------------------------------------------------------------------
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O(1) Ru(1) N(1) 84.4(1) . . . yes
O(1) Ru(1) N(2) 81.1(1) . . . yes
O(1) Ru(1) C(1) 166.2(2) . . . yes
O(1) Ru(1) C(2) 149.0(2) . . . yes
O(1) Ru(1) C(3) 113.2(2) . . . yes
O(1) Ru(1) C(4) 92.5(2) . . . yes
O(1) Ru(1) C(5) 99.7(2) . . . yes
O(1) Ru(1) C(6) 128.8(2) . . . yes
N(1) Ru(1) N(2) 76.2(1) . . . yes
N(1) Ru(1) C(1) 109.1(1) . . . yes
N(1) Ru(1) C(2) 91.6(1) . . . yes
N(1) Ru(1) C(3) 101.6(1) . . . yes
N(1) Ru(1) C(4) 132.8(2) . . . yes
N(1) Ru(1) C(5) 169.1(1) . . . yes
N(1) Ru(1) C(6) 144.1(2) . . . yes
N(2) Ru(1) C(1) 99.2(2) . . . yes
N(2) Ru(1) C(2) 127.8(2) . . . yes
N(2) Ru(1) C(3) 165.4(2) . . . yes
N(2) Ru(1) C(4) 149.9(2) . . . yes
N(2) Ru(1) C(5) 114.4(1) . . . yes
N(2) Ru(1) C(6) 94.2(1) . . . yes
C(1) Ru(1) C(2) 37.2(2) . . . yes
C(1) Ru(1) C(3) 67.7(2) . . . yes
C(1) Ru(1) C(4) 80.3(2) . . . yes
C(1) Ru(1) C(5) 67.5(2) . . . yes
C(1) Ru(1) C(6) 37.5(2) . . . yes
C(2) Ru(1) C(3) 37.7(2) . . . yes
C(2) Ru(1) C(4) 67.9(2) . . . yes
C(2) Ru(1) C(5) 79.6(2) . . . yes
C(2) Ru(1) C(6) 66.9(2) . . . yes
C(3) Ru(1) C(4) 37.7(2) . . . yes
C(3) Ru(1) C(5) 67.5(2) . . . yes
C(3) Ru(1) C(6) 79.2(2) . . . yes
C(4) Ru(1) C(5) 37.5(2) . . . yes
C(4) Ru(1) C(6) 67.0(2) . . . yes
C(5) Ru(1) C(6) 36.8(2) . . . yes
F(1) P(1) F(2) 89.0(3) . . . yes
F(1) P(1) F(3) 88.0(2) . . . yes
F(1) P(1) F(4) 177.2(3) . . . yes
F(1) P(1) F(5) 92.2(3) . . . yes
F(1) P(1) F(6) 91.5(3) . . . yes
F(2) P(1) F(3) 87.3(2) . . . yes
F(2) P(1) F(4) 89.6(2) . . . yes
F(2) P(1) F(5) 176.4(3) . . . yes
F(2) P(1) F(6) 93.1(3) . . . yes
F(3) P(1) F(4) 89.6(2) . . . yes
F(3) P(1) F(5) 89.3(2) . . . yes
F(3) P(1) F(6) 179.3(3) . . . yes
F(4) P(1) F(5) 89.2(3) . . . yes
F(4) P(1) F(6) 91.0(3) . . . yes
F(5) P(1) F(6) 90.3(3) . . . yes
F(7) P(2) F(8) 93.9(6) . . . yes
F(7) P(2) F(9) 89.6(5) . . . yes
F(7) P(2) F(10) 175.0(5) . . . yes
F(7) P(2) F(11) 92.9(5) . . . yes
F(7) P(2) F(12) 89.3(5) . . . yes
F(8) P(2) F(9) 92.7(6) . . . yes
F(8) P(2) F(10) 87.9(5) . . . yes
F(8) P(2) F(11) 172.8(7) . . . yes
F(8) P(2) F(12) 95.0(6) . . . yes
F(9) P(2) F(10) 95.0(5) . . . yes
F(9) P(2) F(11) 85.1(4) . . . yes
F(9) P(2) F(12) 172.4(5) . . . yes
F(10) P(2) F(11) 85.4(4) . . . yes
F(10) P(2) F(12) 85.9(5) . . . yes
F(11) P(2) F(12) 87.4(5) . . . yes
C(15) O(2) C(16) 118.1(3) . . . yes
C(21) O(3) C(22) 118.0(3) . . . yes
Ru(1) N(1) C(13) 125.8(3) . . . yes
Ru(1) N(1) C(18) 117.1(2) . . . yes
C(13) N(1) C(18) 117.0(3) . . . yes
Ru(1) N(2) C(19) 117.1(2) . . . yes
Ru(1) N(2) C(24) 125.0(3) . . . yes
C(19) N(2) C(24) 117.8(3) . . . yes
Ru(1) C(1) C(2) 71.9(3) . . . yes
Ru(1) C(1) C(6) 73.2(2) . . . yes
Ru(1) C(1) C(7) 128.6(4) . . . yes
C(2) C(1) C(6) 120.1(4) . . . yes
C(2) C(1) C(7) 120.7(5) . . . yes
C(6) C(1) C(7) 119.2(5) . . . yes
Ru(1) C(2) C(1) 70.9(3) . . . yes
Ru(1) C(2) C(3) 72.2(3) . . . yes
Ru(1) C(2) C(8) 129.9(3) . . . yes
C(1) C(2) C(3) 120.7(4) . . . yes
C(1) C(2) C(8) 119.9(5) . . . yes
C(3) C(2) C(8) 119.4(5) . . . yes
Ru(1) C(3) C(2) 70.1(2) . . . yes
Ru(1) C(3) C(4) 70.5(3) . . . yes
Ru(1) C(3) C(9) 132.5(4) . . . yes
C(2) C(3) C(4) 118.8(4) . . . yes
C(2) C(3) C(9) 121.3(6) . . . yes
C(4) C(3) C(9) 119.9(6) . . . yes
Ru(1) C(4) C(3) 71.9(2) . . . yes
Ru(1) C(4) C(5) 72.3(3) . . . yes
Ru(1) C(4) C(10) 127.4(4) . . . yes
C(3) C(4) C(5) 120.2(4) . . . yes
C(3) C(4) C(10) 121.4(5) . . . yes
C(5) C(4) C(10) 118.3(5) . . . yes
Ru(1) C(5) C(4) 70.2(2) . . . yes
Ru(1) C(5) C(6) 71.7(2) . . . yes
Ru(1) C(5) C(11) 133.1(4) . . . yes
C(4) C(5) C(6) 119.6(4) . . . yes
C(4) C(5) C(11) 121.4(5) . . . yes
C(6) C(5) C(11) 119.0(5) . . . yes
Ru(1) C(6) C(1) 69.3(2) . . . yes
Ru(1) C(6) C(5) 71.5(2) . . . yes
Ru(1) C(6) C(12) 132.1(4) . . . yes
C(1) C(6) C(5) 120.3(4) . . . yes
C(1) C(6) C(12) 118.1(5) . . . yes
C(5) C(6) C(12) 121.6(5) . . . yes
N(1) C(13) C(14) 124.3(4) . . . yes
C(13) C(14) C(15) 118.9(3) . . . yes
O(2) C(15) C(14) 125.1(3) . . . yes
O(2) C(15) C(17) 117.1(3) . . . yes
C(14) C(15) C(17) 117.8(3) . . . yes
C(15) C(17) C(18) 120.1(3) . . . yes
N(1) C(18) C(17) 121.7(3) . . . yes
N(1) C(18) C(19) 113.3(3) . . . yes
C(17) C(18) C(19) 124.8(3) . . . yes
N(2) C(19) C(18) 114.4(3) . . . yes
N(2) C(19) C(20) 122.3(3) . . . yes
C(18) C(19) C(20) 123.0(3) . . . yes
C(19) C(20) C(21) 118.1(4) . . . yes
O(3) C(21) C(20) 124.5(4) . . . yes
O(3) C(21) C(23) 116.6(3) . . . yes
C(20) C(21) C(23) 118.9(4) . . . yes
C(21) C(23) C(24) 119.3(4) . . . yes
N(2) C(24) C(23) 123.3(4) . . . yes
#------------------------------------------------------------------------------
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
Ru(1) N(1) C(13) C(14) 174.1(3) . . . . yes
Ru(1) N(1) C(18) C(17) -172.7(3) . . . . yes
Ru(1) N(1) C(18) C(19) 11.0(4) . . . . yes
Ru(1) N(2) C(19) C(18) -9.2(4) . . . . yes
Ru(1) N(2) C(19) C(20) 176.8(3) . . . . yes
Ru(1) N(2) C(24) C(23) -179.2(3) . . . . yes
Ru(1) C(1) C(2) C(3) 54.4(4) . . . . yes
Ru(1) C(1) C(2) C(8) -125.7(4) . . . . yes
Ru(1) C(1) C(6) C(5) -52.2(4) . . . . yes
Ru(1) C(1) C(6) C(12) 127.7(4) . . . . yes
Ru(1) C(2) C(1) C(6) -57.1(4) . . . . yes
Ru(1) C(2) C(1) C(7) 124.6(4) . . . . yes
Ru(1) C(2) C(3) C(4) 52.8(4) . . . . yes
Ru(1) C(2) C(3) C(9) -128.3(5) . . . . yes
Ru(1) C(3) C(2) C(1) -53.8(4) . . . . yes
Ru(1) C(3) C(2) C(8) 126.3(4) . . . . yes
Ru(1) C(3) C(4) C(5) 55.9(4) . . . . yes
Ru(1) C(3) C(4) C(10) -123.3(5) . . . . yes
Ru(1) C(4) C(3) C(2) -52.6(3) . . . . yes
Ru(1) C(4) C(3) C(9) 128.5(5) . . . . yes
Ru(1) C(4) C(5) C(6) 53.9(4) . . . . yes
Ru(1) C(4) C(5) C(11) -129.2(5) . . . . yes
Ru(1) C(5) C(4) C(3) -55.7(4) . . . . yes
Ru(1) C(5) C(4) C(10) 123.5(4) . . . . yes
Ru(1) C(5) C(6) C(1) 51.2(4) . . . . yes
Ru(1) C(5) C(6) C(12) -128.7(5) . . . . yes
Ru(1) C(6) C(1) C(2) 56.5(4) . . . . yes
Ru(1) C(6) C(1) C(7) -125.3(4) . . . . yes
Ru(1) C(6) C(5) C(4) -53.3(4) . . . . yes
Ru(1) C(6) C(5) C(11) 129.8(4) . . . . yes
O(1) Ru(1) N(1) C(13) 90.4(3) . . . . yes
O(1) Ru(1) N(1) C(18) -94.3(3) . . . . yes
O(1) Ru(1) N(2) C(19) 97.8(3) . . . . yes
O(1) Ru(1) N(2) C(24) -79.5(3) . . . . yes
O(1) Ru(1) C(1) C(2) -125.6(7) . . . . yes
O(1) Ru(1) C(1) C(6) 5.1(8) . . . . yes
O(1) Ru(1) C(1) C(7) 119.3(8) . . . . yes
O(1) Ru(1) C(2) C(1) 157.9(3) . . . . yes
O(1) Ru(1) C(2) C(3) 25.2(4) . . . . yes
O(1) Ru(1) C(2) C(8) -88.6(7) . . . . yes
O(1) Ru(1) C(3) C(2) -166.2(2) . . . . yes
O(1) Ru(1) C(3) C(4) 61.5(3) . . . . yes
O(1) Ru(1) C(3) C(9) -51.5(7) . . . . yes
O(1) Ru(1) C(4) C(3) -126.0(3) . . . . yes
O(1) Ru(1) C(4) C(5) 102.7(3) . . . . yes
O(1) Ru(1) C(4) C(10) -9.9(6) . . . . yes
O(1) Ru(1) C(5) C(4) -81.4(3) . . . . yes
O(1) Ru(1) C(5) C(6) 146.4(3) . . . . yes
O(1) Ru(1) C(5) C(11) 33.5(6) . . . . yes
O(1) Ru(1) C(6) C(1) -178.5(3) . . . . yes
O(1) Ru(1) C(6) C(5) -44.4(4) . . . . yes
O(1) Ru(1) C(6) C(12) 71.8(6) . . . . yes
O(2) C(15) C(14) C(13) -178.5(4) . . . . yes
O(2) C(15) C(17) C(18) -180.0(3) . . . . yes
O(3) C(21) C(20) C(19) -179.4(4) . . . . yes
O(3) C(21) C(23) C(24) 177.3(4) . . . . yes
N(1) Ru(1) N(2) C(19) 11.4(3) . . . . yes
N(1) Ru(1) N(2) C(24) -165.9(3) . . . . yes
N(1) Ru(1) C(1) C(2) 66.0(3) . . . . yes
N(1) Ru(1) C(1) C(6) -163.3(2) . . . . yes
N(1) Ru(1) C(1) C(7) -49.1(6) . . . . yes
N(1) Ru(1) C(2) C(1) -120.3(3) . . . . yes
N(1) Ru(1) C(2) C(3) 107.0(3) . . . . yes
N(1) Ru(1) C(2) C(8) -6.8(6) . . . . yes
N(1) Ru(1) C(3) C(2) -77.4(3) . . . . yes
N(1) Ru(1) C(3) C(4) 150.4(3) . . . . yes
N(1) Ru(1) C(3) C(9) 37.4(7) . . . . yes
N(1) Ru(1) C(4) C(3) -41.3(3) . . . . yes
N(1) Ru(1) C(4) C(5) -172.6(2) . . . . yes
N(1) Ru(1) C(4) C(10) 74.9(6) . . . . yes
N(1) Ru(1) C(5) C(4) 29.9(9) . . . . yes
N(1) Ru(1) C(5) C(6) -102.3(8) . . . . yes
N(1) Ru(1) C(5) C(11) 144.8(7) . . . . yes
N(1) Ru(1) C(6) C(1) 27.5(4) . . . . yes
N(1) Ru(1) C(6) C(5) 161.6(3) . . . . yes
N(1) Ru(1) C(6) C(12) -82.2(7) . . . . yes
N(1) C(13) C(14) C(15) -2.1(7) . . . . yes
N(1) C(18) C(17) C(15) -1.5(6) . . . . yes
N(1) C(18) C(19) N(2) -1.2(4) . . . . yes
N(1) C(18) C(19) C(20) 172.8(3) . . . . yes
N(2) Ru(1) N(1) C(13) 172.6(4) . . . . yes
N(2) Ru(1) N(1) C(18) -12.1(2) . . . . yes
N(2) Ru(1) C(1) C(2) 144.5(3) . . . . yes
N(2) Ru(1) C(1) C(6) -84.9(3) . . . . yes
N(2) Ru(1) C(1) C(7) 29.3(6) . . . . yes
N(2) Ru(1) C(2) C(1) -46.6(3) . . . . yes
N(2) Ru(1) C(2) C(3) -179.3(2) . . . . yes
N(2) Ru(1) C(2) C(8) 66.9(6) . . . . yes
N(2) Ru(1) C(3) C(2) 2.2(7) . . . . yes
N(2) Ru(1) C(3) C(4) -130.1(5) . . . . yes
N(2) Ru(1) C(3) C(9) 116.9(8) . . . . yes
N(2) Ru(1) C(4) C(3) 157.5(3) . . . . yes
N(2) Ru(1) C(4) C(5) 26.1(5) . . . . yes
N(2) Ru(1) C(4) C(10) -86.4(6) . . . . yes
N(2) Ru(1) C(5) C(4) -166.0(3) . . . . yes
N(2) Ru(1) C(5) C(6) 61.8(3) . . . . yes
N(2) Ru(1) C(5) C(11) -51.0(6) . . . . yes
N(2) Ru(1) C(6) C(1) 99.6(3) . . . . yes
N(2) Ru(1) C(6) C(5) -126.4(3) . . . . yes
N(2) Ru(1) C(6) C(12) -10.1(6) . . . . yes
N(2) C(19) C(18) C(17) -177.3(4) . . . . yes
N(2) C(19) C(20) C(21) 3.5(6) . . . . yes
N(2) C(24) C(23) C(21) 0.8(7) . . . . yes
C(1) Ru(1) N(1) C(13) -92.4(4) . . . . yes
C(1) Ru(1) N(1) C(18) 83.0(3) . . . . yes
C(1) Ru(1) N(2) C(19) -96.1(3) . . . . yes
C(1) Ru(1) N(2) C(24) 86.6(3) . . . . yes
C(1) Ru(1) C(2) C(3) -132.7(4) . . . . yes
C(1) Ru(1) C(2) C(8) 113.5(7) . . . . yes
C(1) Ru(1) C(3) C(2) 28.7(3) . . . . yes
C(1) Ru(1) C(3) C(4) -103.5(3) . . . . yes
C(1) Ru(1) C(3) C(9) 143.4(7) . . . . yes
C(1) Ru(1) C(4) C(3) 65.9(3) . . . . yes
C(1) Ru(1) C(4) C(5) -65.5(3) . . . . yes
C(1) Ru(1) C(4) C(10) -178.0(6) . . . . yes
C(1) Ru(1) C(5) C(4) 103.9(3) . . . . yes
C(1) Ru(1) C(5) C(6) -28.3(3) . . . . yes
C(1) Ru(1) C(5) C(11) -141.1(6) . . . . yes
C(1) Ru(1) C(6) C(5) 134.0(4) . . . . yes
C(1) Ru(1) C(6) C(12) -109.7(7) . . . . yes
C(1) C(2) Ru(1) C(3) 132.7(4) . . . . yes
C(1) C(2) Ru(1) C(4) 103.5(3) . . . . yes
C(1) C(2) Ru(1) C(5) 66.3(3) . . . . yes
C(1) C(2) Ru(1) C(6) 30.1(3) . . . . yes
C(1) C(2) C(3) C(4) -1.0(6) . . . . yes
C(1) C(2) C(3) C(9) 177.8(5) . . . . yes
C(1) C(6) Ru(1) C(2) -29.9(3) . . . . yes
C(1) C(6) Ru(1) C(3) -67.3(3) . . . . yes
C(1) C(6) Ru(1) C(4) -104.7(3) . . . . yes
C(1) C(6) Ru(1) C(5) -134.0(4) . . . . yes
C(1) C(6) C(5) C(4) -2.0(6) . . . . yes
C(1) C(6) C(5) C(11) -179.0(4) . . . . yes
C(2) Ru(1) N(1) C(13) -58.8(4) . . . . yes
C(2) Ru(1) N(1) C(18) 116.6(3) . . . . yes
C(2) Ru(1) N(2) C(19) -69.7(3) . . . . yes
C(2) Ru(1) N(2) C(24) 113.0(3) . . . . yes
C(2) Ru(1) C(1) C(6) 130.6(4) . . . . yes
C(2) Ru(1) C(1) C(7) -115.2(7) . . . . yes
C(2) Ru(1) C(3) C(4) -132.2(4) . . . . yes
C(2) Ru(1) C(3) C(9) 114.7(8) . . . . yes
C(2) Ru(1) C(4) C(3) 29.2(3) . . . . yes
C(2) Ru(1) C(4) C(5) -102.1(3) . . . . yes
C(2) Ru(1) C(4) C(10) 145.3(6) . . . . yes
C(2) Ru(1) C(5) C(4) 67.1(3) . . . . yes
C(2) Ru(1) C(5) C(6) -65.1(3) . . . . yes
C(2) Ru(1) C(5) C(11) -178.0(6) . . . . yes
C(2) Ru(1) C(6) C(5) 104.1(3) . . . . yes
C(2) Ru(1) C(6) C(12) -139.7(6) . . . . yes
C(2) C(1) Ru(1) C(3) -29.0(3) . . . . yes
C(2) C(1) Ru(1) C(4) -66.1(3) . . . . yes
C(2) C(1) Ru(1) C(5) -102.9(3) . . . . yes
C(2) C(1) Ru(1) C(6) -130.6(4) . . . . yes
C(2) C(1) C(6) C(5) 4.3(6) . . . . yes
C(2) C(1) C(6) C(12) -175.8(5) . . . . yes
C(2) C(3) Ru(1) C(4) 132.2(4) . . . . yes
C(2) C(3) Ru(1) C(5) 102.6(3) . . . . yes
C(2) C(3) Ru(1) C(6) 66.1(3) . . . . yes
C(2) C(3) C(4) C(5) 3.3(6) . . . . yes
C(2) C(3) C(4) C(10) -175.9(5) . . . . yes
C(3) Ru(1) N(1) C(13) -22.2(4) . . . . yes
C(3) Ru(1) N(1) C(18) 153.2(3) . . . . yes
C(3) Ru(1) N(2) C(19) -71.4(6) . . . . yes
C(3) Ru(1) N(2) C(24) 111.3(6) . . . . yes
C(3) Ru(1) C(1) C(6) 101.6(3) . . . . yes
C(3) Ru(1) C(1) C(7) -144.2(6) . . . . yes
C(3) Ru(1) C(2) C(8) -113.8(7) . . . . yes
C(3) Ru(1) C(4) C(5) -131.3(4) . . . . yes
C(3) Ru(1) C(4) C(10) 116.1(7) . . . . yes
C(3) Ru(1) C(5) C(4) 29.8(3) . . . . yes
C(3) Ru(1) C(5) C(6) -102.4(3) . . . . yes
C(3) Ru(1) C(5) C(11) 144.7(6) . . . . yes
C(3) Ru(1) C(6) C(5) 66.7(3) . . . . yes
C(3) Ru(1) C(6) C(12) -177.1(6) . . . . yes
C(3) C(2) Ru(1) C(4) -29.2(2) . . . . yes
C(3) C(2) Ru(1) C(5) -66.4(3) . . . . yes
C(3) C(2) Ru(1) C(6) -102.6(3) . . . . yes
C(3) C(2) C(1) C(6) -2.7(6) . . . . yes
C(3) C(2) C(1) C(7) 179.1(4) . . . . yes
C(3) C(4) Ru(1) C(5) 131.3(4) . . . . yes
C(3) C(4) Ru(1) C(6) 102.5(3) . . . . yes
C(3) C(4) C(5) C(6) -1.7(6) . . . . yes
C(3) C(4) C(5) C(11) 175.2(4) . . . . yes
C(4) Ru(1) N(1) C(13) 2.1(4) . . . . yes
C(4) Ru(1) N(1) C(18) 177.5(3) . . . . yes
C(4) Ru(1) N(2) C(19) 177.4(3) . . . . yes
C(4) Ru(1) N(2) C(24) 0.1(5) . . . . yes
C(4) Ru(1) C(1) C(6) 64.6(3) . . . . yes
C(4) Ru(1) C(1) C(7) 178.8(6) . . . . yes
C(4) Ru(1) C(2) C(8) -143.0(6) . . . . yes
C(4) Ru(1) C(3) C(9) -113.0(8) . . . . yes
C(4) Ru(1) C(5) C(6) -132.2(4) . . . . yes
C(4) Ru(1) C(5) C(11) 114.9(7) . . . . yes
C(4) Ru(1) C(6) C(5) 29.3(3) . . . . yes
C(4) Ru(1) C(6) C(12) 145.5(6) . . . . yes
C(4) C(3) Ru(1) C(5) -29.6(3) . . . . yes
C(4) C(3) Ru(1) C(6) -66.2(3) . . . . yes
C(4) C(3) C(2) C(8) 179.1(4) . . . . yes
C(4) C(5) Ru(1) C(6) 132.2(4) . . . . yes
C(4) C(5) C(6) C(12) 178.1(5) . . . . yes
C(5) Ru(1) N(1) C(13) -22.3(9) . . . . yes
C(5) Ru(1) N(1) C(18) 153.1(7) . . . . yes
C(5) Ru(1) N(2) C(19) -165.5(3) . . . . yes
C(5) Ru(1) N(2) C(24) 17.2(4) . . . . yes
C(5) Ru(1) C(1) C(6) 27.8(3) . . . . yes
C(5) Ru(1) C(1) C(7) 142.0(6) . . . . yes
C(5) Ru(1) C(2) C(8) 179.8(6) . . . . yes
C(5) Ru(1) C(3) C(9) -142.7(8) . . . . yes
C(5) Ru(1) C(4) C(10) -112.5(7) . . . . yes
C(5) Ru(1) C(6) C(12) 116.2(7) . . . . yes
C(5) C(4) Ru(1) C(6) -28.8(3) . . . . yes
C(5) C(4) C(3) C(9) -175.6(5) . . . . yes
C(5) C(6) C(1) C(7) -177.5(4) . . . . yes
C(6) Ru(1) N(1) C(13) -109.7(4) . . . . yes
C(6) Ru(1) N(1) C(18) 65.7(4) . . . . yes
C(6) Ru(1) N(2) C(19) -133.6(3) . . . . yes
C(6) Ru(1) N(2) C(24) 49.1(4) . . . . yes
C(6) Ru(1) C(1) C(7) 114.2(7) . . . . yes
C(6) Ru(1) C(2) C(8) 143.6(6) . . . . yes
C(6) Ru(1) C(3) C(9) -179.2(7) . . . . yes
C(6) Ru(1) C(4) C(10) -141.3(6) . . . . yes
C(6) Ru(1) C(5) C(11) -112.8(7) . . . . yes
C(6) C(1) C(2) C(8) 177.2(4) . . . . yes
C(6) C(5) C(4) C(10) 177.5(4) . . . . yes
C(7) C(1) C(2) C(8) -1.0(7) . . . . yes
C(7) C(1) C(6) C(12) 2.4(7) . . . . yes
C(8) C(2) C(3) C(9) -2.1(7) . . . . yes
C(9) C(3) C(4) C(10) 5.2(7) . . . . yes
C(10) C(4) C(5) C(11) -5.6(7) . . . . yes
C(11) C(5) C(6) C(12) 1.1(7) . . . . yes
C(13) N(1) C(18) C(17) 3.1(5) . . . . yes
C(13) N(1) C(18) C(19) -173.2(3) . . . . yes
C(13) C(14) C(15) C(17) 3.6(6) . . . . yes
C(14) C(13) N(1) C(18) -1.3(6) . . . . yes
C(14) C(15) O(2) C(16) -1.4(6) . . . . yes
C(14) C(15) C(17) C(18) -2.0(6) . . . . yes
C(15) C(17) C(18) C(19) 174.4(3) . . . . yes
C(16) O(2) C(15) C(17) 176.4(4) . . . . yes
C(17) C(18) C(19) C(20) -3.4(6) . . . . yes
C(18) C(19) N(2) C(24) 168.3(3) . . . . yes
C(18) C(19) C(20) C(21) -170.0(4) . . . . yes
C(19) N(2) C(24) C(23) 3.5(6) . . . . yes
C(19) C(20) C(21) C(23) 1.0(6) . . . . yes
C(20) C(19) N(2) C(24) -5.7(5) . . . . yes
C(20) C(21) O(3) C(22) 7.8(6) . . . . yes
C(20) C(21) C(23) C(24) -3.0(7) . . . . yes
C(22) O(3) C(21) C(23) -172.5(4) . . . . yes
C(22) O(3) C(21) C(23) -172.5(4) . . . . yes
#------------------------------------------------------------------------------
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
F(1) C(15) 2.908(5) . 2_555 ?
F(1) O(2) 3.070(5) . 2_555 ?
F(1) C(14) 3.195(6) . 2_555 ?
F(1) O(4) 3.226(7) . 1_565 ?
F(1) C(17) 3.354(5) . 2_555 ?
F(1) C(16) 3.460(7) . 2_555 ?
F(1) C(8) 3.486(8) . 3_565 ?
F(2) O(4) 3.045(6) . 2_555 ?
F(2) O(2) 3.191(5) . . ?
F(2) C(8) 3.222(7) . 3_565 ?
F(2) C(14) 3.386(7) . 3_565 ?
F(2) C(17) 3.555(6) . . ?
F(3) C(14) 3.130(5) . 3_565 ?
F(3) C(13) 3.288(5) . 3_565 ?
F(3) O(4) 3.293(5) . 1_565 ?
F(3) C(10) 3.394(7) . 1_565 ?
F(4) C(22) 3.488(8) . . ?
F(4) C(20) 3.558(6) . . ?
F(5) O(5) 3.122(8) . 3_666 ?
F(5) O(4) 3.373(6) . 1_565 ?
F(5) C(16) 3.581(7) . 2_555 ?
F(5) C(10) 3.582(9) . 1_565 ?
F(6) C(9) 3.284(7) . 4_555 ?
F(6) C(22) 3.350(7) . . ?
F(7) C(21) 3.316(9) . . ?
F(7) C(20) 3.401(9) . . ?
F(7) C(23) 3.568(8) . . ?
F(7) C(7) 3.58(1) . . ?
F(8) C(16) 3.262(8) . 3_565 ?
F(9) O(5) 2.832(8) . 2_556 ?
F(9) F(9) 3.46(1) . 3_566 ?
F(9) C(7) 3.51(1) . . ?
F(10) C(22) 3.535(8) . 4_465 ?
F(10) C(23) 3.538(8) . 2_556 ?
F(11) C(24) 3.245(8) . 2_556 ?
F(11) O(5) 3.287(10) . 4_455 ?
O(1) O(5) 2.654(6) . 3_656 ?
O(1) O(4) 2.668(5) . . ?
O(2) O(4) 3.345(5) . 2_555 ?
O(2) C(15) 3.484(5) . 3_565 ?
O(2) O(2) 3.587(6) . 3_565 ?
O(4) C(13) 3.404(6) . . ?
O(4) C(9) 3.538(7) . 3_555 ?
O(5) C(11) 3.435(10) . 3_656 ?
O(5) C(7) 3.571(9) . 2_546 ?
C(16) C(17) 3.560(7) . 3_565 ?
#------------------------------------------------------------------------------
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_site_distance_DH
_geom_hbond_site_distance_HA
_geom_hbond_site_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O(1) H(2) O(4) . . 1_555 0.64(4) 2.04(5) 2.668(6) 166(6) no
O(1) H(1) O(5) . . 3_656 0.79(4) 1.87(4) 2.654(7) 175(5) no
#===END