#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:28:39 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179724 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/24/7002477.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_7002477
loop_
_publ_author_name
'Dai, Feng-Rong'
'Ye, Heng-Yun'
'Li, Bin'
'Zhang, Li-Yi'
'Chen, Zhong-Ning'
_publ_section_title
;
 Low-valence oxo-centred triruthenium complexes by bridging acetate
 substitution with pyrazolyldiazine or pyridinyltetrazine ligands
;
_journal_issue                   40
_journal_name_full               'Dalton Transactions'
_journal_page_first              8696
_journal_page_last               8703
_journal_paper_doi               10.1039/b908798b
_journal_year                    2009
_chemical_formula_moiety         'C29 H34 Cl N6 O11 Ru3, F6 P, C H2 Cl2'
_chemical_formula_sum            'C30 H36 Cl3 F6 N6 O11 P Ru3'
_chemical_formula_weight         1211.18
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.470(11)
_cell_angle_beta                 97.90(2)
_cell_angle_gamma                96.716(17)
_cell_formula_units_Z            2
_cell_length_a                   8.010(4)
_cell_length_b                   13.998(6)
_cell_length_c                   20.935(11)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.4217
_cell_measurement_theta_min      3.0066
_cell_volume                     2199.4(19)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'RIGAKU SATURN70'
_diffrn_measurement_method       'ω 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  0.1486
_diffrn_reflns_av_sigmaI/netI    0.2651
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            13422
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    1.320
_exptl_absorpt_correction_T_max  0.9120
_exptl_absorpt_correction_T_min  0.5124
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.829
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Chip
_exptl_crystal_F_000             1196
_exptl_crystal_size_max          0.5000
_exptl_crystal_size_mid          0.1500
_exptl_crystal_size_min          0.0800
_refine_diff_density_max         2.217
_refine_diff_density_min         -2.448
_refine_diff_density_rms         0.261
_refine_ls_extinction_coef       0.0089(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.966
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     542
_refine_ls_number_reflns         7542
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.1660
_refine_ls_R_factor_gt           0.1186
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0866P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2389
_refine_ls_wR_factor_ref         0.2654
_reflns_number_gt                3338
_reflns_number_total             7542
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b908798b.txt
_cod_data_source_block           compound_4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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_cell_volume        2199.5(17)
_cod_database_code               7002477
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.25510(17) 0.63896(9) 0.83571(6) 0.0207(4) Uani 1 1 d . . .
Ru2 Ru 0.16971(17) 0.51248(9) 0.67629(6) 0.0210(4) Uani 1 1 d . . .
Ru3 Ru 0.06878(18) 0.74634(9) 0.72683(6) 0.0229(4) Uani 1 1 d . . .
Cl1 Cl -0.1014(6) 0.2845(3) 0.6493(2) 0.0387(11) Uani 1 1 d . . .
N1 N 0.3018(19) 0.6092(10) 0.9287(6) 0.032(4) Uani 1 1 d . . .
N2 N 0.227(2) 0.5139(10) 0.9237(7) 0.036(4) Uani 1 1 d . . .
N3 N 0.1563(16) 0.4920(9) 0.8108(6) 0.022(3) Uani 1 1 d . . .
N4 N 0.0918(16) 0.4393(9) 0.7423(6) 0.022(3) Uani 1 1 d . . .
N5 N 0.2017(17) 0.3838(9) 0.6000(6) 0.025(3) Uani 1 1 d . . .
N6 N -0.060(2) 0.8623(10) 0.7048(6) 0.031(4) Uani 1 1 d . . .
O1 O 0.1650(13) 0.6384(7) 0.7453(5) 0.021(2) Uani 1 1 d . . .
O2 O 0.4898(14) 0.6062(8) 0.8203(5) 0.028(3) Uani 1 1 d . . .
O3 O 0.4210(15) 0.5075(8) 0.7124(5) 0.032(3) Uani 1 1 d . . .
O4 O 0.3689(16) 0.7917(8) 0.8664(6) 0.035(3) Uani 1 1 d . . .
O5 O 0.2752(15) 0.8512(7) 0.7807(6) 0.031(3) Uani 1 1 d . . .
O6 O 0.0413(15) 0.6804(8) 0.8714(6) 0.036(3) Uani 1 1 d . . .
O7 O -0.0463(16) 0.7801(8) 0.8104(6) 0.037(3) Uani 1 1 d . . .
O8 O -0.0739(13) 0.5004(8) 0.6247(5) 0.025(2) Uani 1 1 d . . .
O9 O -0.1522(14) 0.6517(7) 0.6690(5) 0.026(3) Uani 1 1 d . . .
O10 O 0.2566(14) 0.5882(7) 0.6114(5) 0.027(3) Uani 1 1 d . . .
O11 O 0.1805(15) 0.7415(8) 0.6424(5) 0.029(3) Uani 1 1 d . . .
C1 C -0.003(2) 0.3493(12) 0.7336(9) 0.040(5) Uani 1 1 d . . .
C2 C -0.030(2) 0.3090(13) 0.7814(8) 0.032(4) Uani 1 1 d . . .
H2A H -0.1007 0.2451 0.7707 0.038 Uiso 1 1 calc R . .
C3 C 0.042(2) 0.3589(13) 0.8451(10) 0.041(5) Uani 1 1 d . . .
H3A H 0.0259 0.3300 0.8802 0.049 Uiso 1 1 calc R . .
C4 C 0.138(2) 0.4489(12) 0.8596(8) 0.025(4) Uani 1 1 d . . .
C5 C 0.243(3) 0.5028(13) 0.9903(9) 0.048(6) Uani 1 1 d . . .
C6 C 0.338(3) 0.5921(15) 1.0309(10) 0.056(6) Uani 1 1 d . . .
H6A H 0.3802 0.6062 1.0779 0.067 Uiso 1 1 calc R . .
C7 C 0.364(3) 0.6601(14) 0.9941(8) 0.043(5) Uani 1 1 d . . .
C8 C 0.189(4) 0.4079(14) 1.0015(9) 0.075(8) Uani 1 1 d . . .
H8A H 0.2175 0.4152 1.0499 0.113 Uiso 1 1 calc R . .
H8B H 0.2469 0.3560 0.9759 0.113 Uiso 1 1 calc R . .
H8C H 0.0650 0.3881 0.9864 0.113 Uiso 1 1 calc R . .
C9 C 0.447(3) 0.7682(13) 1.0173(9) 0.048(5) Uani 1 1 d . . .
H9A H 0.4363 0.7954 0.9789 0.072 Uiso 1 1 calc R . .
H9B H 0.5678 0.7736 1.0358 0.072 Uiso 1 1 calc R . .
H9C H 0.3901 0.8067 1.0524 0.072 Uiso 1 1 calc R . .
C10 C 0.129(2) 0.3683(11) 0.5351(8) 0.031(4) Uani 1 1 d . . .
H10A H 0.0582 0.4139 0.5253 0.038 Uiso 1 1 calc R . .
C11 C 0.154(2) 0.2884(12) 0.4814(9) 0.037(5) Uani 1 1 d . . .
H11A H 0.1007 0.2801 0.4363 0.044 Uiso 1 1 calc R . .
C12 C 0.259(2) 0.2213(13) 0.4951(9) 0.038(5) Uani 1 1 d . . .
H12A H 0.2809 0.1674 0.4596 0.046 Uiso 1 1 calc R . .
C13 C 0.331(3) 0.2356(13) 0.5631(9) 0.044(5) Uani 1 1 d . . .
H13A H 0.3986 0.1898 0.5751 0.053 Uiso 1 1 calc R . .
C14 C 0.300(2) 0.3169(12) 0.6112(8) 0.036(4) Uani 1 1 d . . .
H14A H 0.3531 0.3272 0.6566 0.043 Uiso 1 1 calc R . .
C15 C -0.229(2) 0.8606(11) 0.7067(7) 0.021(3) Uani 1 1 d . . .
H15A H -0.2901 0.8038 0.7146 0.025 Uiso 1 1 calc R . .
C16 C -0.312(3) 0.9312(13) 0.6984(9) 0.047(5) Uani 1 1 d . . .
H16A H -0.4300 0.9263 0.7016 0.057 Uiso 1 1 calc R . .
C17 C -0.226(3) 1.0187(14) 0.6840(9) 0.048(6) Uani 1 1 d . . .
H17A H -0.2855 1.0701 0.6760 0.057 Uiso 1 1 calc R . .
C18 C -0.054(3) 1.0236(13) 0.6827(10) 0.045(5) Uani 1 1 d . . .
H18A H 0.0096 1.0790 0.6740 0.054 Uiso 1 1 calc R . .
C19 C 0.027(2) 0.9432(12) 0.6947(8) 0.035(4) Uani 1 1 d . . .
H19A H 0.1470 0.9469 0.6957 0.041 Uiso 1 1 calc R . .
C20 C 0.524(2) 0.5443(11) 0.7692(8) 0.027(4) Uani 1 1 d . . .
C21 C 0.697(2) 0.5127(14) 0.7713(9) 0.034(4) Uani 1 1 d . . .
H21A H 0.7661 0.5451 0.8165 0.051 Uiso 1 1 calc R . .
H21B H 0.7540 0.5333 0.7376 0.051 Uiso 1 1 calc R . .
H21C H 0.6843 0.4392 0.7611 0.051 Uiso 1 1 calc R . .
C22 C 0.375(2) 0.8566(10) 0.8336(8) 0.019(3) Uani 1 1 d . . .
C23 C 0.517(2) 0.9460(12) 0.8651(9) 0.035(4) Uani 1 1 d . . .
H23A H 0.5824 0.9380 0.9058 0.052 Uiso 1 1 calc R . .
H23B H 0.4675 1.0082 0.8773 0.052 Uiso 1 1 calc R . .
H23C H 0.5925 0.9498 0.8326 0.052 Uiso 1 1 calc R . .
C24 C -0.046(2) 0.7448(12) 0.8602(8) 0.027(4) Uani 1 1 d . . .
C25 C -0.172(2) 0.7821(12) 0.9085(8) 0.031(4) Uani 1 1 d . . .
H25A H -0.1608 0.7515 0.9452 0.046 Uiso 1 1 calc R . .
H25B H -0.2896 0.7625 0.8831 0.046 Uiso 1 1 calc R . .
H25C H -0.1458 0.8558 0.9275 0.046 Uiso 1 1 calc R . .
C26 C -0.181(2) 0.5605(12) 0.6303(8) 0.027(4) Uani 1 1 d . . .
C27 C -0.359(2) 0.5231(11) 0.5876(8) 0.028(4) Uani 1 1 d . . .
H27A H -0.3660 0.4532 0.5595 0.042 Uiso 1 1 calc R . .
H27B H -0.3813 0.5657 0.5585 0.042 Uiso 1 1 calc R . .
H27C H -0.4437 0.5264 0.6174 0.042 Uiso 1 1 calc R . .
C28 C 0.251(2) 0.6763(11) 0.6082(8) 0.022(4) Uani 1 1 d . . .
C29 C 0.334(3) 0.7065(14) 0.5547(9) 0.045(5) Uani 1 1 d . . .
H29A H 0.3219 0.7763 0.5576 0.067 Uiso 1 1 calc R . .
H29B H 0.2788 0.6617 0.5098 0.067 Uiso 1 1 calc R . .
H29C H 0.4558 0.7011 0.5621 0.067 Uiso 1 1 calc R . .
P1 P 0.4348(7) 0.2119(4) 0.7713(2) 0.0363(12) Uani 1 1 d . . .
F1 F 0.4249(18) 0.0917(9) 0.7456(7) 0.077(4) Uani 1 1 d . . .
F2 F 0.6037(14) 0.2196(9) 0.8232(6) 0.059(3) Uani 1 1 d . . .
F3 F 0.3219(16) 0.2009(10) 0.8282(6) 0.064(4) Uani 1 1 d . . .
F4 F 0.2618(14) 0.2042(8) 0.7199(5) 0.048(3) Uani 1 1 d . . .
F5 F 0.5461(15) 0.2236(9) 0.7153(6) 0.054(3) Uani 1 1 d . . .
F6 F 0.4405(16) 0.3313(7) 0.7977(6) 0.060(3) Uani 1 1 d . . .
C01 C 0.078(3) 1.0330(16) 0.8726(9) 0.051(6) Uani 1 1 d . . .
H01A H 0.1674 1.0616 0.8520 0.062 Uiso 1 1 calc R . .
H01B H 0.0171 0.9688 0.8393 0.062 Uiso 1 1 calc R . .
Cl01 Cl -0.0673(8) 1.1173(4) 0.8902(3) 0.0647(17) Uani 1 1 d . . .
Cl02 Cl 0.1753(8) 1.0077(4) 0.9456(3) 0.0578(15) Uani 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'
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'
Cl Cl 0.1484 0.1585 '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
O1 Ru1 N3 89.5(5) . . ?
O1 Ru1 O2 98.3(4) . . ?
N3 Ru1 O2 91.7(5) . . ?
O1 Ru1 O6 92.8(4) . . ?
N3 Ru1 O6 91.5(5) . . ?
O2 Ru1 O6 168.4(5) . . ?
O1 Ru1 N1 165.5(5) . . ?
N3 Ru1 N1 77.5(5) . . ?
O2 Ru1 N1 88.6(5) . . ?
O6 Ru1 N1 81.2(5) . . ?
O1 Ru1 O4 93.7(4) . . ?
N3 Ru1 O4 176.6(5) . . ?
O2 Ru1 O4 86.6(5) . . ?
O6 Ru1 O4 89.7(5) . . ?
N1 Ru1 O4 99.5(5) . . ?
O1 Ru2 O8 95.6(4) . . ?
O1 Ru2 N4 87.1(4) . . ?
O8 Ru2 N4 94.3(5) . . ?
O1 Ru2 O3 93.8(4) . . ?
O8 Ru2 O3 169.9(4) . . ?
N4 Ru2 O3 89.7(5) . . ?
O1 Ru2 O10 92.3(4) . . ?
O8 Ru2 O10 87.6(4) . . ?
N4 Ru2 O10 178.1(5) . . ?
O3 Ru2 O10 88.6(4) . . ?
O1 Ru2 N5 173.5(5) . . ?
O8 Ru2 N5 88.6(5) . . ?
N4 Ru2 N5 97.5(5) . . ?
O3 Ru2 N5 81.7(5) . . ?
O10 Ru2 N5 83.0(4) . . ?
O1 Ru3 O5 93.5(4) . . ?
O1 Ru3 O7 95.8(4) . . ?
O5 Ru3 O7 88.9(5) . . ?
O1 Ru3 O11 95.0(4) . . ?
O5 Ru3 O11 86.4(5) . . ?
O7 Ru3 O11 168.5(4) . . ?
O1 Ru3 O9 92.6(4) . . ?
O5 Ru3 O9 173.9(4) . . ?
O7 Ru3 O9 90.9(5) . . ?
O11 Ru3 O9 92.6(4) . . ?
O1 Ru3 N6 175.5(6) . . ?
O5 Ru3 N6 90.6(5) . . ?
O7 Ru3 N6 82.3(5) . . ?
O11 Ru3 N6 87.2(5) . . ?
O9 Ru3 N6 83.4(5) . . ?
C7 N1 N2 109.3(13) . . ?
C7 N1 Ru1 138.5(12) . . ?
N2 N1 Ru1 111.4(9) . . ?
N1 N2 C4 119.3(12) . . ?
N1 N2 C5 108.8(13) . . ?
C4 N2 C5 131.7(15) . . ?
C4 N3 N4 121.4(13) . . ?
C4 N3 Ru1 119.9(11) . . ?
N4 N3 Ru1 118.4(9) . . ?
C1 N4 N3 112.6(13) . . ?
C1 N4 Ru2 133.4(12) . . ?
N3 N4 Ru2 113.9(9) . . ?
C14 N5 C10 116.1(13) . . ?
C14 N5 Ru2 123.7(10) . . ?
C10 N5 Ru2 120.1(9) . . ?
C19 N6 C15 118.2(14) . . ?
C19 N6 Ru3 120.7(12) . . ?
C15 N6 Ru3 120.9(11) . . ?
Ru3 O1 Ru1 122.9(5) . . ?
Ru3 O1 Ru2 123.5(5) . . ?
Ru1 O1 Ru2 113.4(4) . . ?
C20 O2 Ru1 126.8(11) . . ?
C20 O3 Ru2 135.9(10) . . ?
C22 O4 Ru1 130.9(10) . . ?
C22 O5 Ru3 130.9(10) . . ?
C24 O6 Ru1 129.8(11) . . ?
C24 O7 Ru3 132.8(11) . . ?
C26 O8 Ru2 132.1(10) . . ?
C26 O9 Ru3 132.8(11) . . ?
C28 O10 Ru2 132.3(10) . . ?
C28 O11 Ru3 131.2(10) . . ?
C2 C1 N4 126.2(17) . . ?
C2 C1 Cl1 119.2(14) . . ?
N4 C1 Cl1 114.6(14) . . ?
C1 C2 C3 119.0(18) . . ?
C1 C2 H2A 120.5 . . ?
C3 C2 H2A 120.5 . . ?
C4 C3 C2 120.0(19) . . ?
C4 C3 H3A 120.0 . . ?
C2 C3 H3A 120.0 . . ?
C3 C4 N3 120.4(17) . . ?
C3 C4 N2 128.9(15) . . ?
N3 C4 N2 110.7(14) . . ?
C6 C5 N2 103.9(17) . . ?
C6 C5 C8 133.1(17) . . ?
N2 C5 C8 122.2(15) . . ?
C5 C6 C7 110.8(19) . . ?
C5 C6 H6A 124.6 . . ?
C7 C6 H6A 124.6 . . ?
N1 C7 C6 106.8(17) . . ?
N1 C7 C9 122.8(15) . . ?
C6 C7 C9 130.3(17) . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N5 C10 C11 123.2(16) . . ?
N5 C10 H10A 118.4 . . ?
C11 C10 H10A 118.4 . . ?
C12 C11 C10 118.9(17) . . ?
C12 C11 H11A 120.6 . . ?
C10 C11 H11A 120.6 . . ?
C11 C12 C13 118.1(15) . . ?
C11 C12 H12A 120.9 . . ?
C13 C12 H12A 120.9 . . ?
C14 C13 C12 117.9(17) . . ?
C14 C13 H13A 121.0 . . ?
C12 C13 H13A 121.0 . . ?
N5 C14 C13 125.8(17) . . ?
N5 C14 H14A 117.1 . . ?
C13 C14 H14A 117.1 . . ?
C16 C15 N6 124.1(17) . . ?
C16 C15 H15A 117.9 . . ?
N6 C15 H15A 117.9 . . ?
C15 C16 C17 120.1(19) . . ?
C15 C16 H16A 119.9 . . ?
C17 C16 H16A 119.9 . . ?
C18 C17 C16 117.2(16) . . ?
C18 C17 H17A 121.4 . . ?
C16 C17 H17A 121.4 . . ?
C17 C18 C19 118.2(18) . . ?
C17 C18 H18A 120.9 . . ?
C19 C18 H18A 120.9 . . ?
N6 C19 C18 122.1(18) . . ?
N6 C19 H19A 119.0 . . ?
C18 C19 H19A 119.0 . . ?
O2 C20 O3 124.1(16) . . ?
O2 C20 C21 120.1(16) . . ?
O3 C20 C21 115.7(14) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O5 C22 O4 125.9(14) . . ?
O5 C22 C23 120.2(13) . . ?
O4 C22 C23 113.9(15) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O6 C24 O7 125.4(16) . . ?
O6 C24 C25 118.5(14) . . ?
O7 C24 C25 116.1(14) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O8 C26 O9 125.3(16) . . ?
O8 C26 C27 118.3(13) . . ?
O9 C26 C27 116.4(13) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O11 C28 O10 127.7(14) . . ?
O11 C28 C29 114.8(13) . . ?
O10 C28 C29 117.4(13) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
F2 P1 F6 91.4(7) . . ?
F2 P1 F5 90.4(6) . . ?
F6 P1 F5 90.9(6) . . ?
F2 P1 F1 89.1(7) . . ?
F6 P1 F1 178.5(8) . . ?
F5 P1 F1 90.5(7) . . ?
F2 P1 F4 178.9(6) . . ?
F6 P1 F4 88.4(6) . . ?
F5 P1 F4 90.7(6) . . ?
F1 P1 F4 91.1(7) . . ?
F2 P1 F3 89.6(7) . . ?
F6 P1 F3 88.7(7) . . ?
F5 P1 F3 179.6(7) . . ?
F1 P1 F3 89.9(7) . . ?
F4 P1 F3 89.2(6) . . ?
Cl01 C01 Cl02 112.6(10) . . ?
Cl01 C01 H01A 109.1 . . ?
Cl02 C01 H01A 109.1 . . ?
Cl01 C01 H01B 109.1 . . ?
Cl02 C01 H01B 109.1 . . ?
H01A C01 H01B 107.8 . . ?
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 O1 1.928(10) . ?
Ru1 N3 2.007(13) . ?
Ru1 O2 2.033(11) . ?
Ru1 O6 2.041(11) . ?
Ru1 N1 2.098(12) . ?
Ru1 O4 2.102(11) . ?
Ru2 O1 1.945(9) . ?
Ru2 O8 2.059(11) . ?
Ru2 N4 2.058(13) . ?
Ru2 O3 2.066(12) . ?
Ru2 O10 2.087(10) . ?
Ru2 N5 2.110(11) . ?
Ru3 O1 1.884(9) . ?
Ru3 O5 2.035(12) . ?
Ru3 O7 2.053(11) . ?
Ru3 O11 2.076(10) . ?
Ru3 O9 2.076(11) . ?
Ru3 N6 2.144(12) . ?
Cl1 C1 1.761(17) . ?
N1 C7 1.34(2) . ?
N1 N2 1.366(19) . ?
N2 C4 1.42(2) . ?
N2 C5 1.43(2) . ?
N3 C4 1.341(18) . ?
N3 N4 1.406(17) . ?
N4 C1 1.34(2) . ?
N5 C14 1.341(19) . ?
N5 C10 1.35(2) . ?
N6 C19 1.34(2) . ?
N6 C15 1.36(2) . ?
O2 C20 1.255(18) . ?
O3 C20 1.282(19) . ?
O4 C22 1.285(17) . ?
O5 C22 1.251(18) . ?
O6 C24 1.258(18) . ?
O7 C24 1.274(18) . ?
O8 C26 1.265(17) . ?
O9 C26 1.278(18) . ?
O10 C28 1.259(16) . ?
O11 C28 1.238(16) . ?
C1 C2 1.31(2) . ?
C2 C3 1.33(2) . ?
C2 H2A 0.9500 . ?
C3 C4 1.33(2) . ?
C3 H3A 0.9500 . ?
C5 C6 1.36(3) . ?
C5 C8 1.44(2) . ?
C6 C7 1.40(2) . ?
C6 H6A 0.9500 . ?
C7 C9 1.49(2) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.40(2) . ?
C10 H10A 0.9500 . ?
C11 C12 1.39(2) . ?
C11 H11A 0.9500 . ?
C12 C13 1.41(2) . ?
C12 H12A 0.9500 . ?
C13 C14 1.36(2) . ?
C13 H13A 0.9500 . ?
C14 H14A 0.9500 . ?
C15 C16 1.29(2) . ?
C15 H15A 0.9500 . ?
C16 C17 1.46(3) . ?
C16 H16A 0.9500 . ?
C17 C18 1.38(3) . ?
C17 H17A 0.9500 . ?
C18 C19 1.43(2) . ?
C18 H18A 0.9500 . ?
C19 H19A 0.9500 . ?
C20 C21 1.51(2) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.51(2) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.55(2) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.52(2) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.51(2) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
P1 F2 1.588(12) . ?
P1 F6 1.597(11) . ?
P1 F5 1.599(11) . ?
P1 F1 1.604(12) . ?
P1 F4 1.606(11) . ?
P1 F3 1.621(11) . ?
C01 Cl01 1.75(2) . ?
C01 Cl02 1.764(19) . ?
C01 H01A 0.9900 . ?
C01 H01B 0.9900 . ?
