#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/92/2019282.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2019282
loop_
_publ_author_name
'Santiso-Quinones, Gustavo'
'Rodriguez-Lugo, Rafael'
'Sacchetti, Vittorio'
'Grützmacher, Hansjörg'
_publ_section_title
;
 RuII--hydride--trop complexes: X-ray single-crystal
 determination and quantum-chemical calculations
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1421
_journal_page_last               1426
_journal_paper_doi               10.1107/S0108270113024505
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Ru Cl H (C32 H28 N2)], 0.5C4 H10 O2'
_chemical_formula_moiety         'C32 H29 Cl N2 Ru, 0.5(C4 H10 O2)'
_chemical_formula_sum            'C34 H34 Cl N2 O Ru'
_chemical_formula_weight         623.15
_chemical_name_common
;
(1SR,2RS)-[RuII(H)(Cl)(tropHN(CH₂)₂HNtrop)]
;
_chemical_name_systematic
;Chlorido{(1SR,2RS)-N,N'-bis[(10,11-η)-5H-dibenzo[a,d]cyclohepten-5-amine]ethane-1,2-diamine-κ²N,N'}hydridoruthenium(II) dimethoxyethane
hemisolvate
;
_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                94.297(3)
_cell_angle_beta                 99.725(3)
_cell_angle_gamma                112.661(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2374(4)
_cell_length_b                   10.4465(5)
_cell_length_c                   15.5708(7)
_cell_measurement_reflns_used    4562
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.71
_cell_measurement_theta_min      2.34
_cell_volume                     1350.35(11)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0725
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11354
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    0.711
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular platelet'
_exptl_crystal_F_000             642
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.042
_refine_diff_density_min         -0.595
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.923
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     371
_refine_ls_number_reflns         4562
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.923
_refine_ls_R_factor_all          0.0486
_refine_ls_R_factor_gt           0.0321
_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)+(0.0202P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0553
_refine_ls_wR_factor_ref         0.0587
_reflns_number_gt                3553
_reflns_number_total             4562
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            fa3321.cif
_cod_data_source_block           II
_cod_database_code               2019282
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
Ru Ru1 0.35475(3) 0.42021(3) 0.785353(19) 0.01281(8) Uani d . 1 1
H H0 0.212(4) 0.457(4) 0.747(2) 0.060(12) Uiso d . 1 1
Cl Cl1 0.59239(9) 0.43252(8) 0.89989(5) 0.01573(19) Uani d . 1 1
N N1 0.2553(3) 0.4373(2) 0.89582(18) 0.0120(6) Uani d . 1 1
N N2 0.4658(3) 0.6399(3) 0.82561(18) 0.0150(6) Uani d . 1 1
O O1 0.7854(2) 0.9070(2) 0.48023(14) 0.0205(5) Uani d . 1 1
C C1 0.1213(3) 0.3094(3) 0.9120(2) 0.0119(7) Uani d . 1 1
H H1 0.0850 0.3357 0.9650 0.014 Uiso calc R 1 1
C C2 -0.0195(3) 0.2563(3) 0.8340(2) 0.0132(7) Uani d . 1 1
C C3 -0.0029(3) 0.2158(3) 0.7497(2) 0.0123(7) Uani d . 1 1
C C4 0.1508(3) 0.2240(3) 0.7295(2) 0.0132(7) Uani d . 1 1
H H4 0.1421 0.1964 0.6653 0.016 Uiso calc R 1 1
C C5 0.2692(3) 0.1945(3) 0.7842(2) 0.0123(7) Uani d . 1 1
H H5 0.3254 0.1504 0.7503 0.015 Uiso calc R 1 1
C C6 0.2573(3) 0.1493(3) 0.8715(2) 0.0116(5) Uani d . 1 1
C C7 0.1866(3) 0.1995(3) 0.9314(2) 0.0116(5) Uani d . 1 1
C C8 -0.1379(3) 0.1688(3) 0.6803(2) 0.0148(7) Uani d . 1 1
H H8 -0.1282 0.1423 0.6226 0.018 Uiso calc R 1 1
C C9 -0.2847(4) 0.1602(3) 0.6941(2) 0.0176(8) Uani d . 1 1
H H9 -0.3752 0.1266 0.6462 0.021 Uiso calc R 1 1
C C10 -0.3006(4) 0.2003(3) 0.7769(2) 0.0186(8) Uani d . 1 1
H H10 -0.4016 0.1951 0.7864 0.022 Uiso calc R 1 1
C C11 -0.1683(3) 0.2482(3) 0.8462(2) 0.0148(7) Uani d . 1 1
H H11 -0.1793 0.2762 0.9033 0.018 Uiso calc R 1 1
C C12 0.3170(3) 0.0495(3) 0.8953(2) 0.0159(8) Uani d . 1 1
H H12 0.3691 0.0168 0.8567 0.019 Uiso calc R 1 1
C C13 0.3015(3) -0.0024(3) 0.9741(2) 0.0181(8) Uani d . 1 1
H H13 0.3407 -0.0716 0.9884 0.022 Uiso calc R 1 1
C C14 0.2295(3) 0.0458(3) 1.0318(2) 0.0168(8) Uani d . 1 1
H H14 0.2179 0.0094 1.0855 0.020 Uiso calc R 1 1
C C15 0.1742(3) 0.1477(3) 1.0108(2) 0.0152(7) Uani d . 1 1
H H15 0.1270 0.1829 1.0512 0.018 Uiso calc R 1 1
C C16 0.5395(4) 0.7299(3) 0.7607(2) 0.0145(7) Uani d . 1 1
C C17 0.6817(4) 0.7013(3) 0.7433(2) 0.0142(7) Uani d . 1 1
C C18 0.6647(4) 0.5651(3) 0.7125(2) 0.0133(7) Uani d . 1 1
C C19 0.5086(3) 0.4411(3) 0.6911(2) 0.0139(7) Uani d . 1 1
H H19 0.5177 0.3517 0.6712 0.017 Uiso calc R 1 1
C C20 0.3633(4) 0.4476(3) 0.6497(2) 0.0164(8) Uani d . 1 1
H H20 0.2914 0.3605 0.6073 0.020 Uiso calc R 1 1
C C21 0.3412(3) 0.5735(3) 0.6242(2) 0.0165(8) Uani d . 1 1
C C22 0.4179(3) 0.7062(3) 0.6771(2) 0.0138(7) Uani d . 1 1
C C23 0.8004(4) 0.5460(4) 0.6980(2) 0.0209(8) Uani d . 1 1
C C24 0.9480(4) 0.6584(4) 0.7094(2) 0.0232(9) Uani d . 1 1
H H24 1.0383 0.6433 0.6977 0.028 Uiso calc R 1 1
C C25 0.9634(4) 0.7922(4) 0.7378(2) 0.0229(9) Uani d . 1 1
C C26 0.8321(4) 0.8132(3) 0.7558(2) 0.0184(8) Uani d . 1 1
H H26 0.8442 0.9052 0.7770 0.022 Uiso calc R 1 1
C C27 0.2340(4) 0.5595(3) 0.5458(2) 0.0231(8) Uani d . 1 1
H H27 0.1805 0.4704 0.5095 0.028 Uiso calc R 1 1
C C28 0.2034(4) 0.6721(4) 0.5194(2) 0.0256(9) Uani d . 1 1
H H28 0.1316 0.6602 0.4651 0.031 Uiso calc R 1 1
C C29 0.2779(4) 0.8021(4) 0.5726(2) 0.0237(9) Uani d . 1 1
H H29 0.2566 0.8795 0.5554 0.028 Uiso calc R 1 1
C C30 0.3836(4) 0.8177(3) 0.6508(2) 0.0202(8) Uani d . 1 1
H H30 0.4340 0.9065 0.6874 0.024 Uiso calc R 1 1
C C31 0.3548(4) 0.6828(3) 0.8676(2) 0.0240(8) Uani d . 1 1
H H31A 0.3099 0.7340 0.8275 0.029 Uiso calc R 1 1
H H31B 0.4170 0.7484 0.9227 0.029 Uiso calc R 1 1
C C32 0.2174(4) 0.5613(3) 0.8888(3) 0.0283(9) Uani d . 1 1
H H32A 0.1945 0.5903 0.9452 0.034 Uiso calc R 1 1
H H32B 0.1198 0.5364 0.8420 0.034 Uiso calc R 1 1
C C33 0.6774(4) 0.8193(3) 0.5277(2) 0.0249(8) Uani d . 1 1
H H33A 0.6963 0.7338 0.5326 0.037 Uiso calc R 1 1
H H33B 0.5666 0.7942 0.4964 0.037 Uiso calc R 1 1
H H33C 0.6951 0.8696 0.5868 0.037 Uiso calc R 1 1
C C34 0.9478(3) 0.9388(3) 0.5193(2) 0.0181(8) Uani d . 1 1
H H34A 0.9732 0.8564 0.5068 0.022 Uiso calc R 1 1
H H34B 0.9671 0.9639 0.5841 0.022 Uiso calc R 1 1
H H1A 0.340(3) 0.458(3) 0.941(2) 0.017(9) Uiso d . 1 1
H H2A 0.541(4) 0.643(3) 0.868(2) 0.026(10) Uiso d . 1 1
H H16 0.577(3) 0.824(3) 0.788(2) 0.018(8) Uiso d . 1 1
H H23 0.788(3) 0.455(3) 0.674(2) 0.025(9) Uiso d . 1 1
H H25 1.060(4) 0.866(3) 0.745(2) 0.029(10) Uiso d . 1 1
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'
Ru Ru -1.2594 0.8363 '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'
O O 0.0106 0.0060 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N1 Ru1 N2 . . 79.88(10)
N1 Ru1 C20 . . 149.17(11)
N2 Ru1 C20 . . 90.79(11)
N1 Ru1 C4 . . 90.49(11)
N2 Ru1 C4 . . 153.64(11)
C20 Ru1 C4 . . 85.03(12)
N1 Ru1 C5 . . 89.71(10)
N2 Ru1 C5 . . 163.16(11)
C20 Ru1 C5 . . 104.68(12)
C4 Ru1 C5 . . 37.98(10)
N1 Ru1 C19 . . 166.40(11)
N2 Ru1 C19 . . 89.49(11)
C20 Ru1 C19 . . 38.10(11)
C4 Ru1 C19 . . 102.67(12)
C5 Ru1 C19 . . 98.53(11)
N1 Ru1 Cl1 . . 83.93(7)
N2 Ru1 Cl1 . . 81.22(8)
C20 Ru1 Cl1 . . 123.89(8)
C4 Ru1 Cl1 . . 122.40(8)
C5 Ru1 Cl1 . . 84.56(8)
C19 Ru1 Cl1 . . 86.09(8)
N1 Ru1 H0 . . 76.9(13)
N2 Ru1 H0 . . 81.1(13)
C20 Ru1 H0 . . 72.6(13)
C4 Ru1 H0 . . 72.8(13)
C5 Ru1 H0 . . 109.6(13)
C19 Ru1 H0 . . 110.0(13)
Cl1 Ru1 H0 . . 155.9(14)
C32 N1 C1 . . 114.9(2)
C32 N1 Ru1 . . 104.3(2)
C1 N1 Ru1 . . 118.43(19)
C32 N1 H1A . . 109.7(19)
C1 N1 H1A . . 106.4(18)
Ru1 N1 H1A . . 102.3(19)
C31 N2 C16 . . 115.1(2)
C31 N2 Ru1 . . 108.12(18)
C16 N2 Ru1 . . 117.8(2)
C31 N2 H2A . . 106(2)
C16 N2 H2A . . 109(2)
Ru1 N2 H2A . . 98(2)
C34 O1 C33 . . 112.0(2)
N1 C1 C2 . . 110.7(2)
N1 C1 C7 . . 108.4(2)
C2 C1 C7 . . 112.1(2)
N1 C1 H1 . . 108.5
C2 C1 H1 . . 108.5
C7 C1 H1 . . 108.5
C11 C2 C3 . . 119.4(3)
C11 C2 C1 . . 119.4(3)
C3 C2 C1 . . 121.3(3)
C8 C3 C2 . . 118.3(3)
C8 C3 C4 . . 118.2(3)
C2 C3 C4 . . 123.5(3)
C5 C4 C3 . . 126.1(3)
C5 C4 Ru1 . . 71.24(16)
C3 C4 Ru1 . . 114.5(2)
C5 C4 H4 . . 112.7
C3 C4 H4 . . 112.7
Ru1 C4 H4 . . 112.7
C4 C5 C6 . . 124.8(3)
C4 C5 Ru1 . . 70.77(16)
C6 C5 Ru1 . . 114.8(2)
C4 C5 H5 . . 113.1
C6 C5 H5 . . 113.1
Ru1 C5 H5 . . 113.1
C12 C6 C7 . . 118.0(3)
C12 C6 C5 . . 118.6(3)
C7 C6 C5 . . 123.4(3)
C15 C7 C6 . . 120.0(3)
C15 C7 C1 . . 118.3(3)
C6 C7 C1 . . 121.7(3)
C9 C8 C3 . . 121.3(3)
C9 C8 H8 . . 119.3
C3 C8 H8 . . 119.3
C10 C9 C8 . . 120.2(3)
C10 C9 H9 . . 119.9
C8 C9 H9 . . 119.9
C9 C10 C11 . . 119.3(3)
C9 C10 H10 . . 120.3
C11 C10 H10 . . 120.3
C10 C11 C2 . . 121.4(3)
C10 C11 H11 . . 119.3
C2 C11 H11 . . 119.3
C13 C12 C6 . . 121.1(3)
C13 C12 H12 . . 119.4
C6 C12 H12 . . 119.4
C14 C13 C12 . . 120.4(3)
C14 C13 H13 . . 119.8
C12 C13 H13 . . 119.8
C13 C14 C15 . . 119.4(3)
C13 C14 H14 . . 120.3
C15 C14 H14 . . 120.3
C14 C15 C7 . . 121.0(3)
C14 C15 H15 . . 119.5
C7 C15 H15 . . 119.5
N2 C16 C22 . . 111.4(3)
N2 C16 C17 . . 109.1(2)
C22 C16 C17 . . 111.9(3)
N2 C16 H16 . . 106.2(18)
C22 C16 H16 . . 109.1(17)
C17 C16 H16 . . 109.0(18)
C26 C17 C18 . . 119.3(3)
C26 C17 C16 . . 119.4(3)
C18 C17 C16 . . 121.3(3)
C23 C18 C17 . . 118.5(3)
C23 C18 C19 . . 117.9(3)
C17 C18 C19 . . 123.6(3)
C20 C19 C18 . . 122.7(3)
C20 C19 Ru1 . . 70.43(17)
C18 C19 Ru1 . . 116.2(2)
C20 C19 H19 . . 113.5
C18 C19 H19 . . 113.6
Ru1 C19 H19 . . 113.6
C19 C20 C21 . . 126.9(3)
C19 C20 Ru1 . . 71.47(17)
C21 C20 Ru1 . . 114.5(2)
C19 C20 H20 . . 112.4
C21 C20 H20 . . 112.4
Ru1 C20 H20 . . 112.4
C27 C21 C22 . . 118.0(3)
C27 C21 C20 . . 118.7(3)
C22 C21 C20 . . 123.2(3)
C30 C22 C21 . . 119.7(3)
C30 C22 C16 . . 119.6(3)
C21 C22 C16 . . 120.7(3)
C24 C23 C18 . . 121.4(3)
C24 C23 H23 . . 119.9(19)
C18 C23 H23 . . 118.4(19)
C25 C24 C23 . . 119.9(3)
C25 C24 H24 . . 120.1
C23 C24 H24 . . 120.1
C24 C25 C26 . . 119.8(3)
C24 C25 H25 . . 120(2)
C26 C25 H25 . . 120(2)
C25 C26 C17 . . 121.1(3)
C25 C26 H26 . . 119.4
C17 C26 H26 . . 119.4
C28 C27 C21 . . 121.7(3)
C28 C27 H27 . . 119.1
C21 C27 H27 . . 119.1
C27 C28 C29 . . 119.8(3)
C27 C28 H28 . . 120.1
C29 C28 H28 . . 120.1
C30 C29 C28 . . 119.2(3)
C30 C29 H29 . . 120.4
C28 C29 H29 . . 120.4
C29 C30 C22 . . 121.5(3)
C29 C30 H30 . . 119.2
C22 C30 H30 . . 119.2
N2 C31 C32 . . 113.9(3)
N2 C31 H31A . . 108.8
C32 C31 H31A . . 108.8
N2 C31 H31B . . 108.8
C32 C31 H31B . . 108.8
H31A C31 H31B . . 107.7
N1 C32 C31 . . 111.6(3)
N1 C32 H32A . . 109.3
C31 C32 H32A . . 109.3
N1 C32 H32B . . 109.3
C31 C32 H32B . . 109.3
H32A C32 H32B . . 108.0
O1 C33 H33A . . 109.5
O1 C33 H33B . . 109.5
H33A C33 H33B . . 109.5
O1 C33 H33C . . 109.5
H33A C33 H33C . . 109.5
H33B C33 H33C . . 109.5
O1 C34 C34 . 2_776 107.7(3)
O1 C34 H34A . . 110.2
C34 C34 H34A 2_776 . 110.2
O1 C34 H34B . . 110.2
C34 C34 H34B 2_776 . 110.2
H34A C34 H34B . . 108.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Ru1 N1 . 2.109(3)
Ru1 N2 . 2.113(3)
Ru1 C20 . 2.163(3)
Ru1 C4 . 2.170(3)
Ru1 C5 . 2.176(3)
Ru1 C19 . 2.177(3)
Ru1 Cl1 . 2.5380(8)
Ru1 H0 . 1.55(3)
N1 C32 . 1.473(4)
N1 C1 . 1.504(4)
N1 H1A . 0.91(3)
N2 C31 . 1.488(4)
N2 C16 . 1.501(4)
N2 H2A . 0.86(3)
O1 C34 . 1.417(3)
O1 C33 . 1.424(3)
C1 C2 . 1.511(4)
C1 C7 . 1.516(4)
C1 H1 . 1.0000
C2 C11 . 1.390(4)
C2 C3 . 1.401(4)
C3 C8 . 1.398(4)
C3 C4 . 1.478(4)
C4 C5 . 1.414(4)
C4 H4 . 1.0000
C5 C6 . 1.480(4)
C5 H5 . 1.0000
C6 C12 . 1.400(4)
C6 C7 . 1.403(4)
C7 C15 . 1.389(4)
C8 C9 . 1.379(4)
C8 H8 . 0.9500
C9 C10 . 1.374(4)
C9 H9 . 0.9500
C10 C11 . 1.382(4)
C10 H10 . 0.9500
C11 H11 . 0.9500
C12 C13 . 1.386(4)
C12 H12 . 0.9500
C13 C14 . 1.376(4)
C13 H13 . 0.9500
C14 C15 . 1.385(4)
C14 H14 . 0.9500
C15 H15 . 0.9500
C16 C22 . 1.504(4)
C16 C17 . 1.516(4)
C16 H16 . 0.95(3)
C17 C26 . 1.400(4)
C17 C18 . 1.406(4)
C18 C23 . 1.395(4)
C18 C19 . 1.484(4)
C19 C20 . 1.417(4)
C19 H19 . 1.0000
C20 C21 . 1.479(4)
C20 H20 . 1.0000
C21 C27 . 1.395(4)
C21 C22 . 1.406(4)
C22 C30 . 1.391(4)
C23 C24 . 1.386(4)
C23 H23 . 0.95(3)
C24 C25 . 1.380(5)
C24 H24 . 0.9500
C25 C26 . 1.381(4)
C25 H25 . 0.91(3)
C26 H26 . 0.9500
C27 C28 . 1.386(4)
C27 H27 . 0.9500
C28 C29 . 1.386(5)
C28 H28 . 0.9500
C29 C30 . 1.381(4)
C29 H29 . 0.9500
C30 H30 . 0.9500
C31 C32 . 1.515(4)
C31 H31A . 0.9900
C31 H31B . 0.9900
C32 H32A . 0.9900
C32 H32B . 0.9900
C33 H33A . 0.9800
C33 H33B . 0.9800
C33 H33C . 0.9800
C34 C34 2_776 1.513(5)
C34 H34A . 0.9900
C34 H34B . 0.9900
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_site_symmetry_4
_geom_torsion
N2 Ru1 N1 C32 . 41.6(2)
C20 Ru1 N1 C32 . -32.7(3)
C4 Ru1 N1 C32 . -113.8(2)
C5 Ru1 N1 C32 . -151.7(2)
C19 Ru1 N1 C32 . 80.7(5)
Cl1 Ru1 N1 C32 . 123.69(19)
N2 Ru1 N1 C1 . 170.7(2)
C20 Ru1 N1 C1 . 96.5(3)
C4 Ru1 N1 C1 . 15.4(2)
C5 Ru1 N1 C1 . -22.6(2)
C19 Ru1 N1 C1 . -150.2(4)
Cl1 Ru1 N1 C1 . -107.14(19)
N1 Ru1 N2 C31 . -30.3(2)
C20 Ru1 N2 C31 . 120.2(2)
C4 Ru1 N2 C31 . 39.8(4)
C5 Ru1 N2 C31 . -82.9(4)
C19 Ru1 N2 C31 . 158.2(2)
Cl1 Ru1 N2 C31 . -115.6(2)
N1 Ru1 N2 C16 . -162.9(2)
C20 Ru1 N2 C16 . -12.4(2)
C4 Ru1 N2 C16 . -92.8(3)
C5 Ru1 N2 C16 . 144.5(3)
C19 Ru1 N2 C16 . 25.6(2)
Cl1 Ru1 N2 C16 . 111.8(2)
C32 N1 C1 C2 . 65.2(4)
Ru1 N1 C1 C2 . -58.9(3)
C32 N1 C1 C7 . -171.4(3)
Ru1 N1 C1 C7 . 64.5(3)
N1 C1 C2 C11 . -120.7(3)
C7 C1 C2 C11 . 118.2(3)
N1 C1 C2 C3 . 58.9(3)
C7 C1 C2 C3 . -62.2(3)
C11 C2 C3 C8 . 0.2(4)
C1 C2 C3 C8 . -179.4(2)
C11 C2 C3 C4 . 178.3(2)
C1 C2 C3 C4 . -1.3(4)
C8 C3 C4 C5 . -143.9(3)
C2 C3 C4 C5 . 38.0(4)
C8 C3 C4 Ru1 . 132.2(2)
C2 C3 C4 Ru1 . -45.9(3)
N1 Ru1 C4 C5 . -88.89(18)
N2 Ru1 C4 C5 . -156.7(2)
C20 Ru1 C4 C5 . 121.65(19)
C19 Ru1 C4 C5 . 87.66(19)
Cl1 Ru1 C4 C5 . -5.8(2)
N1 Ru1 C4 C3 . 33.1(2)
N2 Ru1 C4 C3 . -34.7(4)
C20 Ru1 C4 C3 . -116.4(2)
C5 Ru1 C4 C3 . 122.0(3)
C19 Ru1 C4 C3 . -150.4(2)
Cl1 Ru1 C4 C3 . 116.21(19)
C3 C4 C5 C6 . 0.3(5)
Ru1 C4 C5 C6 . 107.4(3)
C3 C4 C5 Ru1 . -107.1(3)
N1 Ru1 C5 C4 . 91.18(18)
N2 Ru1 C5 C4 . 142.6(3)
C20 Ru1 C5 C4 . -61.2(2)
C19 Ru1 C5 C4 . -99.68(19)
Cl1 Ru1 C5 C4 . 175.11(18)
N1 Ru1 C5 C6 . -29.1(2)
N2 Ru1 C5 C6 . 22.3(5)
C20 Ru1 C5 C6 . 178.4(2)
C4 Ru1 C5 C6 . -120.3(3)
C19 Ru1 C5 C6 . 140.0(2)
Cl1 Ru1 C5 C6 . 54.79(19)
C4 C5 C6 C12 . 142.4(3)
Ru1 C5 C6 C12 . -134.5(2)
C4 C5 C6 C7 . -36.5(4)
Ru1 C5 C6 C7 . 46.6(3)
C12 C6 C7 C15 . -1.5(4)
C5 C6 C7 C15 . 177.4(3)
C12 C6 C7 C1 . 178.9(3)
C5 C6 C7 C1 . -2.2(4)
N1 C1 C7 C15 . 122.7(3)
C2 C1 C7 C15 . -114.9(3)
N1 C1 C7 C6 . -57.7(4)
C2 C1 C7 C6 . 64.8(3)
C2 C3 C8 C9 . -0.9(4)
C4 C3 C8 C9 . -179.1(3)
C3 C8 C9 C10 . 1.0(4)
C8 C9 C10 C11 . -0.5(4)
C9 C10 C11 C2 . -0.2(4)
C3 C2 C11 C10 . 0.4(4)
C1 C2 C11 C10 . 180.0(3)
C7 C6 C12 C13 . 2.4(4)
C5 C6 C12 C13 . -176.5(3)
C6 C12 C13 C14 . -1.4(4)
C12 C13 C14 C15 . -0.7(4)
C13 C14 C15 C7 . 1.6(4)
C6 C7 C15 C14 . -0.5(4)
C1 C7 C15 C14 . 179.1(3)
C31 N2 C16 C22 . -71.9(3)
Ru1 N2 C16 C22 . 57.5(3)
C31 N2 C16 C17 . 164.1(3)
Ru1 N2 C16 C17 . -66.4(3)
N2 C16 C17 C26 . -125.0(3)
C22 C16 C17 C26 . 111.4(3)
N2 C16 C17 C18 . 56.8(4)
C22 C16 C17 C18 . -66.9(4)
C26 C17 C18 C23 . 1.9(4)
C16 C17 C18 C23 . -179.9(3)
C26 C17 C18 C19 . -175.5(3)
C16 C17 C18 C19 . 2.7(5)
C23 C18 C19 C20 . -139.1(3)
C17 C18 C19 C20 . 38.3(5)
C23 C18 C19 Ru1 . 138.2(3)
C17 C18 C19 Ru1 . -44.4(4)
N1 Ru1 C19 C20 . -130.3(4)
N2 Ru1 C19 C20 . -91.92(18)
C4 Ru1 C19 C20 . 64.49(19)
C5 Ru1 C19 C20 . 102.94(18)
Cl1 Ru1 C19 C20 . -173.16(17)
N1 Ru1 C19 C18 . -12.6(6)
N2 Ru1 C19 C18 . 25.8(2)
C20 Ru1 C19 C18 . 117.7(3)
C4 Ru1 C19 C18 . -177.8(2)
C5 Ru1 C19 C18 . -139.4(2)
Cl1 Ru1 C19 C18 . -55.5(2)
C18 C19 C20 C21 . -1.9(5)
Ru1 C19 C20 C21 . 107.2(3)
C18 C19 C20 Ru1 . -109.1(3)
N1 Ru1 C20 C19 . 159.52(19)
N2 Ru1 C20 C19 . 88.18(18)
C4 Ru1 C20 C19 . -117.89(19)
C5 Ru1 C20 C19 . -85.09(19)
Cl1 Ru1 C20 C19 . 8.2(2)
N1 Ru1 C20 C21 . 36.6(3)
N2 Ru1 C20 C21 . -34.7(2)
C4 Ru1 C20 C21 . 119.2(2)
C5 Ru1 C20 C21 . 152.0(2)
C19 Ru1 C20 C21 . -122.9(3)
Cl1 Ru1 C20 C21 . -114.7(2)
C19 C20 C21 C27 . 142.6(3)
Ru1 C20 C21 C27 . -132.8(3)
C19 C20 C21 C22 . -40.2(5)
Ru1 C20 C21 C22 . 44.4(4)
C27 C21 C22 C30 . 1.0(5)
C20 C21 C22 C30 . -176.3(3)
C27 C21 C22 C16 . -177.7(3)
C20 C21 C22 C16 . 5.1(5)
N2 C16 C22 C30 . 119.6(3)
C17 C16 C22 C30 . -118.0(3)
N2 C16 C22 C21 . -61.8(4)
C17 C16 C22 C21 . 60.6(4)
C17 C18 C23 C24 . -2.9(5)
C19 C18 C23 C24 . 174.6(3)
C18 C23 C24 C25 . 1.6(5)
C23 C24 C25 C26 . 0.9(5)
C24 C25 C26 C17 . -1.9(5)
C18 C17 C26 C25 . 0.5(5)
C16 C17 C26 C25 . -177.8(3)
C22 C21 C27 C28 . 0.4(5)
C20 C21 C27 C28 . 177.8(3)
C21 C27 C28 C29 . -1.3(5)
C27 C28 C29 C30 . 0.9(5)
C28 C29 C30 C22 . 0.5(5)
C21 C22 C30 C29 . -1.4(5)
C16 C22 C30 C29 . 177.2(3)
C16 N2 C31 C32 . 147.2(3)
Ru1 N2 C31 C32 . 13.2(3)
C1 N1 C32 C31 . -176.9(3)
Ru1 N1 C32 C31 . -45.6(3)
N2 C31 C32 N1 . 22.1(4)
C33 O1 C34 C34 2_776 -164.7(3)
