#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:52:57 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180159 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/55/7105560.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_7105560
loop_
_publ_author_name
'Zhang, Daopeng'
'Zhang, Li-Fang'
'Chen, Yuting'
'Wang, Hailong'
'Ni, Zhong-Hai'
'Wernsdorfer, Wolfgang'
'Jiang, Jianzhuang'
_publ_section_title
;
 Heterobimetallic porphyrin-based single-chain magnet constructed from
 manganese(iii)-porphyrin and trans-dicyanobis(acetylacetonato)
 ruthenate(iii) containing co-crystallized bulk anions and cations
;
_journal_issue                   20
_journal_name_full               'Chemical Communications'
_journal_page_first              3550
_journal_paper_doi               10.1039/b926710g
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C37 H38 N2 O5 P Ru'
_chemical_formula_weight         722.73
_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                92.186(3)
_cell_angle_beta                 112.599(3)
_cell_angle_gamma                111.187(3)
_cell_formula_units_Z            2
_cell_length_a                   11.969(2)
_cell_length_b                   12.312(2)
_cell_length_c                   14.000(2)
_cell_measurement_reflns_used    2073
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.231
_cell_measurement_theta_min      2.108
_cell_volume                     1738.0(5)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    'XP (Sheldrick, 1997)'
_computing_publication_material  XP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX II CCD area-detector'
_diffrn_measurement_method       'φ and 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  0.0179
_diffrn_reflns_av_sigmaI/netI    0.0365
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5671
_diffrn_reflns_theta_full        24.00
_diffrn_reflns_theta_max         24.00
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    0.541
_exptl_absorpt_correction_T_max  0.9529
_exptl_absorpt_correction_T_min  0.9137
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             746
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.233
_refine_diff_density_min         -1.081
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     422
_refine_ls_number_reflns         5331
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.1029
_refine_ls_R_factor_gt           0.0799
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1117P)²+9.8055P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2056
_refine_ls_wR_factor_ref         0.2280
_reflns_number_gt                3552
_reflns_number_total             5331
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b926710g.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7105560
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 0.5000 0.0000 0.5000 0.0531(5) Uani 1 2 d S . .
Ru2 Ru 0.0000 0.5000 0.0000 0.0760(6) Uani 1 2 d S . .
P1 P 0.9956(6) 0.1746(6) 0.3382(5) 0.173(3) Uani 1 1 d . . .
O1 O 0.5361(7) 0.1697(6) 0.4885(6) 0.0639(19) Uani 1 1 d . . .
O2 O 0.5564(6) 0.0413(7) 0.6568(5) 0.0643(19) Uani 1 1 d . . .
O3 O 0.0401(9) 0.6701(7) -0.0092(6) 0.085(2) Uani 1 1 d . . .
O4 O 0.0570(9) 0.5371(7) 0.1562(6) 0.088(2) Uani 1 1 d . . .
O5 O 0.488(2) 0.5276(16) 0.9100(17) 0.302(12) Uani 1 1 d . . .
H5A H 0.4775 0.4484 0.9209 0.363 Uiso 1 1 d R . .
H5B H 0.5742 0.5827 0.9627 0.363 Uiso 1 1 d R . .
N1 N 0.7936(10) 0.0395(8) 0.5339(8) 0.074(3) Uani 1 1 d . . .
N2 N -0.2942(16) 0.4659(14) -0.0381(13) 0.137(5) Uani 1 1 d . . .
C1 C 0.6892(11) 0.0265(9) 0.5227(7) 0.056(3) Uani 1 1 d . . .
C2 C -0.1903(19) 0.4761(12) -0.0256(11) 0.096(4) Uani 1 1 d . . .
C3 C 0.5489(15) 0.3617(11) 0.5221(12) 0.115(5) Uani 1 1 d . . .
H3A H 0.5667 0.3651 0.4607 0.172 Uiso 1 1 calc R . .
H3B H 0.6175 0.4275 0.5781 0.172 Uiso 1 1 calc R . .
H3C H 0.4650 0.3658 0.5052 0.172 Uiso 1 1 calc R . .
C4 C 0.5449(10) 0.2455(11) 0.5573(11) 0.073(3) Uani 1 1 d . . .
C5 C 0.5534(12) 0.2319(11) 0.6566(11) 0.084(4) Uani 1 1 d . . .
H5 H 0.5528 0.2935 0.6966 0.101 Uiso 1 1 calc R . .
C6 C 0.5628(10) 0.1370(11) 0.7033(9) 0.070(3) Uani 1 1 d . . .
C7 C 0.5804(14) 0.1363(13) 0.8141(10) 0.107(5) Uani 1 1 d . . .
H7A H 0.6068 0.0736 0.8377 0.161 Uiso 1 1 calc R . .
H7B H 0.4983 0.1236 0.8178 0.161 Uiso 1 1 calc R . .
H7C H 0.6475 0.2114 0.8586 0.161 Uiso 1 1 calc R . .
C8 C 0.0728(15) 0.8680(10) 0.0334(11) 0.105(5) Uani 1 1 d . . .
H8A H 0.1159 0.8837 -0.0130 0.158 Uiso 1 1 calc R . .
H8B H 0.1221 0.9306 0.0954 0.158 Uiso 1 1 calc R . .
H8C H -0.0153 0.8642 -0.0023 0.158 Uiso 1 1 calc R . .
C9 C 0.0661(12) 0.7506(10) 0.0652(11) 0.076(3) Uani 1 1 d . . .
C10 C 0.0867(13) 0.7367(11) 0.1662(10) 0.088(4) Uani 1 1 d . . .
H10 H 0.1078 0.8040 0.2134 0.105 Uiso 1 1 calc R . .
C11 C 0.0800(11) 0.6352(11) 0.2067(9) 0.071(3) Uani 1 1 d . . .
C12 C 0.1034(13) 0.6383(11) 0.3206(9) 0.090(4) Uani 1 1 d . . .
H12A H 0.0258 0.6351 0.3280 0.134 Uiso 1 1 calc R . .
H12B H 0.1775 0.7107 0.3638 0.134 Uiso 1 1 calc R . .
H12C H 0.1217 0.5713 0.3425 0.134 Uiso 1 1 calc R . .
C13 C 1.1102(14) 0.2651(14) 0.4927(11) 0.098(4) Uani 1 1 d . . .
C14 C 1.0924(15) 0.3702(17) 0.5120(11) 0.107(5) Uani 1 1 d . . .
H14 H 1.0209 0.3813 0.4628 0.129 Uiso 1 1 calc R . .
C15 C 1.1732(19) 0.4501(16) 0.5961(17) 0.128(6) Uani 1 1 d . . .
H15 H 1.1615 0.5200 0.6041 0.153 Uiso 1 1 calc R . .
C16 C 1.273(2) 0.4372(18) 0.6723(16) 0.140(6) Uani 1 1 d . . .
H16 H 1.3295 0.4960 0.7333 0.168 Uiso 1 1 calc R . .
C17 C 1.2911(17) 0.3262(18) 0.6570(14) 0.138(6) Uani 1 1 d . . .
H17 H 1.3513 0.3067 0.7109 0.166 Uiso 1 1 calc R . .
C18 C 1.2134(16) 0.2531(13) 0.5578(12) 0.108(5) Uani 1 1 d . . .
H18 H 1.2362 0.1942 0.5377 0.130 Uiso 1 1 calc R . .
C19 C 0.8621(14) 0.2212(13) 0.2833(11) 0.099(5) Uani 1 1 d . . .
C20 C 0.7745(15) 0.1983(14) 0.3294(13) 0.117(6) Uani 1 1 d . . .
H20 H 0.7926 0.1686 0.3912 0.141 Uiso 1 1 calc R . .
C21 C 0.6627(13) 0.2183(12) 0.2864(12) 0.093(4) Uani 1 1 d . . .
H21 H 0.6050 0.2027 0.3185 0.112 Uiso 1 1 calc R . .
C22 C 0.6360(12) 0.2616(11) 0.1956(11) 0.085(4) Uani 1 1 d . . .
H22 H 0.5589 0.2745 0.1658 0.102 Uiso 1 1 calc R . .
C23 C 0.7196(12) 0.2865(12) 0.1475(10) 0.085(4) Uani 1 1 d . . .
H23 H 0.7022 0.3192 0.0875 0.102 Uiso 1 1 calc R . .
C24 C 0.8316(13) 0.2617(11) 0.1901(10) 0.084(4) Uani 1 1 d . . .
H24 H 0.8862 0.2727 0.1555 0.101 Uiso 1 1 calc R . .
C25 C 1.1109(12) 0.2158(11) 0.2820(9) 0.077(3) Uani 1 1 d . . .
C26 C 1.1518(13) 0.3241(11) 0.2578(9) 0.084(4) Uani 1 1 d . . .
H26 H 1.1107 0.3742 0.2620 0.100 Uiso 1 1 calc R . .
C27 C 1.2525(13) 0.3607(13) 0.2273(10) 0.091(4) Uani 1 1 d . . .
H27 H 1.2796 0.4352 0.2103 0.109 Uiso 1 1 calc R . .
C28 C 1.3129(13) 0.2884(16) 0.2220(10) 0.095(4) Uani 1 1 d . . .
H28 H 1.3807 0.3130 0.2001 0.115 Uiso 1 1 calc R . .
C29 C 1.2755(12) 0.1794(13) 0.2484(10) 0.089(4) Uani 1 1 d . . .
H29 H 1.3191 0.1309 0.2463 0.107 Uiso 1 1 calc R . .
C30 C 1.1737(12) 0.1423(11) 0.2779(11) 0.087(4) Uani 1 1 d . . .
H30 H 1.1467 0.0679 0.2952 0.105 Uiso 1 1 calc R . .
C31 C 0.9532(16) 0.0479(15) 0.3649(13) 0.125(5) Uani 1 1 d . . .
H31A H 0.9011 0.0391 0.4051 0.150 Uiso 1 1 calc R . .
H31B H 1.0294 0.0307 0.4038 0.150 Uiso 1 1 calc R . .
C32 C 0.8660(16) -0.0346(16) 0.2488(14) 0.119(5) Uani 1 1 d . . .
C33 C 0.8924(17) -0.1292(18) 0.2352(15) 0.138(6) Uani 1 1 d . . .
H33 H 0.9671 -0.1336 0.2867 0.165 Uiso 1 1 calc R . .
C34 C 0.8100(19) -0.2236(17) 0.1442(16) 0.144(7) Uani 1 1 d . . .
H34 H 0.8288 -0.2899 0.1386 0.173 Uiso 1 1 calc R . .
C35 C 0.7047(19) -0.2160(19) 0.0666(16) 0.140(6) Uani 1 1 d . . .
H35 H 0.6533 -0.2741 0.0048 0.168 Uiso 1 1 calc R . .
C36 C 0.6764(19) -0.124(2) 0.0804(18) 0.149(7) Uani 1 1 d . . .
H36 H 0.6053 -0.1152 0.0278 0.178 Uiso 1 1 calc R . .
C37 C 0.751(2) -0.0428(18) 0.1707(17) 0.146(7) Uani 1 1 d . . .
H37 H 0.7210 0.0144 0.1812 0.175 Uiso 1 1 calc R . .
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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Ru1 O1 180.000(1) . 2_656 ?
O1 Ru1 O2 91.2(3) . . ?
O1 Ru1 O2 88.8(3) 2_656 . ?
O1 Ru1 O2 88.8(3) . 2_656 ?
O1 Ru1 O2 91.2(3) 2_656 2_656 ?
O2 Ru1 O2 180.000(1) . 2_656 ?
O1 Ru1 C1 88.8(3) . 2_656 ?
O1 Ru1 C1 91.2(3) 2_656 2_656 ?
O2 Ru1 C1 88.2(3) . 2_656 ?
O2 Ru1 C1 91.8(3) 2_656 2_656 ?
O1 Ru1 C1 91.2(3) . . ?
O1 Ru1 C1 88.8(3) 2_656 . ?
O2 Ru1 C1 91.8(3) . . ?
O2 Ru1 C1 88.2(3) 2_656 . ?
C1 Ru1 C1 180.0(6) 2_656 . ?
O3 Ru2 O3 180.0 . 2_565 ?
O3 Ru2 O4 91.9(3) . . ?
O3 Ru2 O4 88.1(3) 2_565 . ?
O3 Ru2 O4 88.1(3) . 2_565 ?
O3 Ru2 O4 91.9(3) 2_565 2_565 ?
O4 Ru2 O4 180.0(5) . 2_565 ?
O3 Ru2 C2 88.7(4) . . ?
O3 Ru2 C2 91.3(4) 2_565 . ?
O4 Ru2 C2 89.8(5) . . ?
O4 Ru2 C2 90.2(5) 2_565 . ?
O3 Ru2 C2 91.3(4) . 2_565 ?
O3 Ru2 C2 88.7(4) 2_565 2_565 ?
O4 Ru2 C2 90.2(5) . 2_565 ?
O4 Ru2 C2 89.8(5) 2_565 2_565 ?
C2 Ru2 C2 180.0(8) . 2_565 ?
C31 P1 C25 118.4(8) . . ?
C31 P1 C19 114.0(8) . . ?
C25 P1 C19 115.0(5) . . ?
C31 P1 C13 95.5(8) . . ?
C25 P1 C13 102.5(7) . . ?
C19 P1 C13 108.0(7) . . ?
C4 O1 Ru1 123.4(7) . . ?
C6 O2 Ru1 123.6(7) . . ?
C9 O3 Ru2 124.3(7) . . ?
C11 O4 Ru2 124.2(7) . . ?
H5A O5 H5A 0.0 . . ?
H5A O5 H5B 107.5 . . ?
H5A O5 H5B 107.5 . . ?
N1 C1 Ru1 178.8(10) . . ?
N2 C2 Ru2 178.1(17) . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O1 C4 C5 126.4(11) . . ?
O1 C4 C3 113.3(12) . . ?
C5 C4 C3 120.3(13) . . ?
C4 C5 C6 127.2(11) . . ?
C4 C5 H5 116.4 . . ?
C6 C5 H5 116.4 . . ?
O2 C6 C5 124.5(11) . . ?
O2 C6 C7 113.4(11) . . ?
C5 C6 C7 122.1(12) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 H8A 109.5 . . ?
C9 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C9 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O3 C9 C10 125.1(10) . . ?
O3 C9 C8 114.0(11) . . ?
C10 C9 C8 120.9(11) . . ?
C9 C10 C11 128.0(11) . . ?
C9 C10 H10 116.0 . . ?
C11 C10 H10 116.0 . . ?
O4 C11 C10 125.2(11) . . ?
O4 C11 C12 115.2(10) . . ?
C10 C11 C12 119.5(11) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 119.3(14) . . ?
C18 C13 P1 125.7(11) . . ?
C14 C13 P1 112.1(11) . . ?
C15 C14 C13 121.0(14) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C14 C15 C16 122.7(17) . . ?
C14 C15 H15 118.6 . . ?
C16 C15 H15 118.6 . . ?
C15 C16 C17 117.7(16) . . ?
C15 C16 H16 121.1 . . ?
C17 C16 H16 121.1 . . ?
C18 C17 C16 115.9(16) . . ?
C18 C17 H17 122.0 . . ?
C16 C17 H17 122.0 . . ?
C13 C18 C17 121.2(14) . . ?
C13 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C24 C19 C20 118.5(11) . . ?
C24 C19 P1 123.7(9) . . ?
C20 C19 P1 117.2(9) . . ?
C21 C20 C19 121.4(12) . . ?
C21 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
C20 C21 C22 119.3(11) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C23 C22 C21 121.6(12) . . ?
C23 C22 H22 119.2 . . ?
C21 C22 H22 119.2 . . ?
C22 C23 C24 118.7(11) . . ?
C22 C23 H23 120.7 . . ?
C24 C23 H23 120.7 . . ?
C19 C24 C23 120.5(10) . . ?
C19 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C26 C25 C30 119.7(10) . . ?
C26 C25 P1 121.1(9) . . ?
C30 C25 P1 118.5(9) . . ?
C25 C26 C27 120.7(12) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C28 C27 C26 119.7(12) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C27 C28 C29 120.7(11) . . ?
C27 C28 H28 119.6 . . ?
C29 C28 H28 119.6 . . ?
C30 C29 C28 119.5(12) . . ?
C30 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
C29 C30 C25 119.7(12) . . ?
C29 C30 H30 120.2 . . ?
C25 C30 H30 120.2 . . ?
P1 C31 C32 101.1(12) . . ?
P1 C31 H31A 111.6 . . ?
C32 C31 H31A 111.6 . . ?
P1 C31 H31B 111.6 . . ?
C32 C31 H31B 111.6 . . ?
H31A C31 H31B 109.4 . . ?
C33 C32 C37 112.5(17) . . ?
C33 C32 C31 114.3(16) . . ?
C37 C32 C31 131.2(16) . . ?
C32 C33 C34 122.3(17) . . ?
C32 C33 H33 118.9 . . ?
C34 C33 H33 118.9 . . ?
C35 C34 C33 119.6(18) . . ?
C35 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
C36 C35 C34 118.4(19) . . ?
C36 C35 H35 120.8 . . ?
C34 C35 H35 120.8 . . ?
C35 C36 C37 119(2) . . ?
C35 C36 H36 120.4 . . ?
C37 C36 H36 120.4 . . ?
C36 C37 C32 127(2) . . ?
C36 C37 H37 116.3 . . ?
C32 C37 H37 116.3 . . ?
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 2.002(7) . ?
Ru1 O1 2.002(7) 2_656 ?
Ru1 O2 2.015(7) . ?
Ru1 O2 2.015(7) 2_656 ?
Ru1 C1 2.060(11) 2_656 ?
Ru1 C1 2.060(11) . ?
Ru2 O3 1.993(7) . ?
Ru2 O3 1.993(7) 2_565 ?
Ru2 O4 2.002(8) . ?
Ru2 O4 2.002(8) 2_565 ?
Ru2 C2 2.069(19) . ?
Ru2 C2 2.069(19) 2_565 ?
P1 C31 1.566(17) . ?
P1 C25 1.773(11) . ?
P1 C19 1.795(12) . ?
P1 C13 2.057(15) . ?
O1 C4 1.262(14) . ?
O2 C6 1.287(13) . ?
O3 C9 1.271(13) . ?
O4 C11 1.257(13) . ?
O5 H5A 0.9642 . ?
O5 H5A 0.9642 . ?
O5 H5B 0.9726 . ?
N1 C1 1.146(12) . ?
N2 C2 1.146(18) . ?
C3 C4 1.522(16) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C5 1.374(17) . ?
C5 C6 1.379(16) . ?
C5 H5 0.9300 . ?
C6 C7 1.484(16) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.513(15) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 C10 1.366(16) . ?
C10 C11 1.381(16) . ?
C10 H10 0.9300 . ?
C11 C12 1.506(15) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C18 1.287(18) . ?
C13 C14 1.418(19) . ?
C14 C15 1.279(19) . ?
C14 H14 0.9300 . ?
C15 C16 1.33(2) . ?
C15 H15 0.9300 . ?
C16 C17 1.48(2) . ?
C16 H16 0.9300 . ?
C17 C18 1.38(2) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.378(16) . ?
C19 C20 1.385(16) . ?
C20 C21 1.358(17) . ?
C20 H20 0.9300 . ?
C21 C22 1.366(17) . ?
C21 H21 0.9300 . ?
C22 C23 1.365(16) . ?
C22 H22 0.9300 . ?
C23 C24 1.392(16) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.349(15) . ?
C25 C30 1.380(15) . ?
C26 C27 1.363(17) . ?
C26 H26 0.9300 . ?
C27 C28 1.350(18) . ?
C27 H27 0.9300 . ?
C28 C29 1.367(18) . ?
C28 H28 0.9300 . ?
C29 C30 1.365(16) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C32 1.60(2) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.34(2) . ?
C32 C37 1.35(2) . ?
C33 C34 1.43(2) . ?
C33 H33 0.9300 . ?
C34 C35 1.35(2) . ?
C34 H34 0.9300 . ?
C35 C36 1.33(2) . ?
C35 H35 0.9300 . ?
C36 C37 1.33(2) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
