#------------------------------------------------------------------------------
#$Date: 2018-09-24 09:49:13 +0300 (Mon, 24 Sep 2018) $
#$Revision: 211137 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/35/1543552.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_1543552
loop_
_publ_author_name
'Niels J.M. Pijnenburg'
'Eder Tomas-Mendivil'
'Kimberley E. Mayland'
'Henk Kleijn'
'Martin Lutz'
'Anthony L. Spek'
'Gerard van Koten'
'Robertus J.M. Klein Gebbink'
_publ_section_title
;
 Monomeric and dendritic second generation Grubbs- and Hoveyda-Grubbs-type
 catalysts for olefin metathesis
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              163
_journal_page_last               173
_journal_paper_doi               10.1016/j.ica.2013.06.018
_journal_volume                  409A
_journal_year                    2014
_chemical_formula_moiety         'C28 H38 Cl2 N2 O Ru'
_chemical_formula_sum            'C28 H38 Cl2 N2 O Ru'
_chemical_formula_weight         590.57
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 104.002(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.06929(4)
_cell_length_b                   12.7795(2)
_cell_length_c                   16.1807(2)
_cell_measurement_reflns_used    50010
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.60
_cell_volume                     3023.46(6)
_computing_cell_refinement       Peakref
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'Eval15, Sadabs, Squeeze'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            66907
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    0.716
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6711
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   SADABS-2008/1
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.297
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.032
_refine_diff_density_min         -0.449
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         6917
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_gt           0.0333
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0540P)²+1.6466P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.0976
_reflns_number_gt                5684
_reflns_number_total             6917
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ICA-2014-409A-163-173.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_journal_paper_doi' value 'doi:10.1016/j.ica.2013.06.018' was
changed to '10.1016/j.ica.2013.06.018'.

Automatic conversion script
Id: cif_fix_values 6433 2018-09-21 13:16:33Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1543552
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.215998(12) 0.330322(14) 0.409184(11) 0.02140(7) Uani 1 1 d . . .
Cl1 Cl 0.35980(4) 0.29511(5) 0.49952(4) 0.03033(14) Uani 1 1 d . . .
Cl2 Cl 0.08360(4) 0.27791(5) 0.30934(4) 0.03222(15) Uani 1 1 d . . .
O1 O 0.15018(12) 0.28545(13) 0.51682(10) 0.0269(4) Uani 1 1 d . . .
N1 N 0.30612(14) 0.29806(17) 0.26886(13) 0.0279(4) Uani 1 1 d . . .
N2 N 0.28867(14) 0.46393(16) 0.28016(13) 0.0270(4) Uani 1 1 d . . .
C1 C 0.4195(4) -0.2439(4) 0.1475(3) 0.0971(16) Uani 1 1 d . . .
H1A H 0.3726 -0.2557 0.0947 0.146 Uiso 1 1 calc R . .
H1B H 0.4394 -0.3113 0.1747 0.146 Uiso 1 1 calc R . .
H1C H 0.4719 -0.2079 0.1345 0.146 Uiso 1 1 calc R . .
C2 C 0.3821(4) -0.1804(3) 0.2044(3) 0.0732(12) Uani 1 1 d . . .
H2A H 0.4176 -0.1931 0.2636 0.088 Uiso 1 1 calc R . .
H2B H 0.3183 -0.2025 0.2005 0.088 Uiso 1 1 calc R . .
C3 C 0.3832(3) -0.0637(2) 0.1858(2) 0.0521(8) Uani 1 1 d . . .
H3A H 0.3489 -0.0512 0.1263 0.063 Uiso 1 1 calc R . .
H3B H 0.4472 -0.0413 0.1910 0.063 Uiso 1 1 calc R . .
C4 C 0.3415(2) 0.0037(2) 0.2452(2) 0.0477(8) Uani 1 1 d . . .
H4A H 0.2766 -0.0163 0.2383 0.057 Uiso 1 1 calc R . .
H4B H 0.3741 -0.0105 0.3050 0.057 Uiso 1 1 calc R . .
C5 C 0.3469(2) 0.1200(2) 0.22730(19) 0.0405(7) Uani 1 1 d . . .
H5A H 0.4118 0.1405 0.2350 0.049 Uiso 1 1 calc R . .
H5B H 0.3148 0.1344 0.1674 0.049 Uiso 1 1 calc R . .
C6 C 0.3047(2) 0.1844(2) 0.28544(18) 0.0343(6) Uani 1 1 d . . .
H6A H 0.2405 0.1618 0.2788 0.041 Uiso 1 1 calc R . .
H6B H 0.3379 0.1708 0.3451 0.041 Uiso 1 1 calc R . .
C7 C 0.3405(2) 0.3448(2) 0.20581(17) 0.0349(6) Uani 1 1 d . . .
H7 H 0.3667 0.3102 0.1654 0.042 Uiso 1 1 calc R . .
C8 C 0.32975(19) 0.4484(2) 0.21286(17) 0.0358(6) Uani 1 1 d . . .
H8 H 0.3469 0.5011 0.1784 0.043 Uiso 1 1 calc R . .
C9 C 0.27316(15) 0.3711(2) 0.31568(14) 0.0239(5) Uani 1 1 d . . .
C10 C 0.26493(17) 0.56690(19) 0.30497(16) 0.0271(5) Uani 1 1 d . . .
C11 C 0.32766(18) 0.6216(2) 0.36673(17) 0.0325(6) Uani 1 1 d . . .
C12 C 0.3014(2) 0.7192(2) 0.39046(19) 0.0391(6) Uani 1 1 d . . .
H12 H 0.3434 0.7583 0.4324 0.047 Uiso 1 1 calc R . .
C13 C 0.2161(2) 0.7611(2) 0.3550(2) 0.0399(7) Uani 1 1 d . . .
C14 C 0.1554(2) 0.7040(2) 0.29319(18) 0.0363(6) Uani 1 1 d . . .
H14 H 0.0966 0.7323 0.2686 0.044 Uiso 1 1 calc R . .
C15 C 0.17831(18) 0.6062(2) 0.26639(16) 0.0306(5) Uani 1 1 d . . .
C16 C 0.4192(2) 0.5748(3) 0.4093(2) 0.0511(8) Uani 1 1 d . . .
H16A H 0.4099 0.5068 0.4340 0.077 Uiso 1 1 calc R . .
H16B H 0.4515 0.6218 0.4545 0.077 Uiso 1 1 calc R . .
H16C H 0.4555 0.5654 0.3672 0.077 Uiso 1 1 calc R . .
C17 C 0.1109(2) 0.5437(3) 0.20126(18) 0.0435(7) Uani 1 1 d . . .
H17A H 0.0526 0.5814 0.1854 0.065 Uiso 1 1 calc R . .
H17B H 0.1013 0.4755 0.2253 0.065 Uiso 1 1 calc R . .
H17C H 0.1348 0.5335 0.1506 0.065 Uiso 1 1 calc R . .
C18 C 0.1883(3) 0.8666(3) 0.3830(3) 0.0603(10) Uani 1 1 d . . .
H18A H 0.2255 0.9215 0.3656 0.090 Uiso 1 1 calc R . .
H18B H 0.1980 0.8674 0.4451 0.090 Uiso 1 1 calc R . .
H18C H 0.1236 0.8792 0.3564 0.090 Uiso 1 1 calc R . .
C21 C 0.18699(17) 0.45970(19) 0.44412(15) 0.0268(5) Uani 1 1 d . . .
H21 H 0.1988 0.5212 0.4155 0.032 Uiso 1 1 calc R . .
C22 C 0.14570(16) 0.46656(19) 0.51617(14) 0.0241(5) Uani 1 1 d . . .
C23 C 0.12423(18) 0.5626(2) 0.54810(16) 0.0306(5) Uani 1 1 d . . .
H23 H 0.1361 0.6259 0.5220 0.037 Uiso 1 1 calc R . .
C24 C 0.0858(2) 0.5657(2) 0.61757(18) 0.0382(6) Uani 1 1 d . . .
H24 H 0.0706 0.6309 0.6389 0.046 Uiso 1 1 calc R . .
C25 C 0.0696(2) 0.4727(2) 0.65585(17) 0.0381(6) Uani 1 1 d . . .
H25 H 0.0440 0.4752 0.7040 0.046 Uiso 1 1 calc R . .
C26 C 0.08972(18) 0.3761(2) 0.62571(15) 0.0304(5) Uani 1 1 d . . .
H26 H 0.0785 0.3131 0.6525 0.036 Uiso 1 1 calc R . .
C27 C 0.12669(16) 0.37465(19) 0.55530(14) 0.0240(5) Uani 1 1 d . . .
C28 C 0.12183(19) 0.18292(19) 0.54129(17) 0.0306(5) Uani 1 1 d . . .
H28 H 0.1418 0.1750 0.6046 0.037 Uiso 1 1 calc R . .
C29 C 0.0192(2) 0.1718(2) 0.5132(2) 0.0426(7) Uani 1 1 d . . .
H29A H -0.0097 0.2238 0.5427 0.064 Uiso 1 1 calc R . .
H29B H 0.0015 0.1014 0.5271 0.064 Uiso 1 1 calc R . .
H29C H -0.0008 0.1829 0.4515 0.064 Uiso 1 1 calc R . .
C30 C 0.1710(2) 0.1035(2) 0.49947(19) 0.0385(6) Uani 1 1 d . . .
H30A H 0.1486 0.1081 0.4375 0.058 Uiso 1 1 calc R . .
H30B H 0.1596 0.0331 0.5185 0.058 Uiso 1 1 calc R . .
H30C H 0.2369 0.1179 0.5153 0.058 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'
H H 0.0000 0.0000 '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'
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'
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
C21 Ru1 C9 100.27(10) . .
C21 Ru1 O1 79.09(9) . .
C9 Ru1 O1 179.36(8) . .
C21 Ru1 Cl2 104.11(8) . .
C9 Ru1 Cl2 90.21(7) . .
O1 Ru1 Cl2 89.98(5) . .
C21 Ru1 Cl1 103.53(8) . .
C9 Ru1 Cl1 91.12(7) . .
O1 Ru1 Cl1 89.01(5) . .
Cl2 Ru1 Cl1 151.62(3) . .
C27 O1 C28 119.51(18) . .
C27 O1 Ru1 110.04(14) . .
C28 O1 Ru1 130.00(14) . .
C9 N1 C7 111.3(2) . .
C9 N1 C6 123.1(2) . .
C7 N1 C6 125.5(2) . .
C9 N2 C8 111.1(2) . .
C9 N2 C10 126.59(19) . .
C8 N2 C10 122.3(2) . .
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 . .
C1 C2 C3 113.6(4) . .
C1 C2 H2A 108.8 . .
C3 C2 H2A 108.8 . .
C1 C2 H2B 108.8 . .
C3 C2 H2B 108.8 . .
H2A C2 H2B 107.7 . .
C2 C3 C4 113.6(3) . .
C2 C3 H3A 108.8 . .
C4 C3 H3A 108.8 . .
C2 C3 H3B 108.8 . .
C4 C3 H3B 108.8 . .
H3A C3 H3B 107.7 . .
C5 C4 C3 112.4(3) . .
C5 C4 H4A 109.1 . .
C3 C4 H4A 109.1 . .
C5 C4 H4B 109.1 . .
C3 C4 H4B 109.1 . .
H4A C4 H4B 107.9 . .
C6 C5 C4 111.5(2) . .
C6 C5 H5A 109.3 . .
C4 C5 H5A 109.3 . .
C6 C5 H5B 109.3 . .
C4 C5 H5B 109.3 . .
H5A C5 H5B 108.0 . .
N1 C6 C5 113.4(2) . .
N1 C6 H6A 108.9 . .
C5 C6 H6A 108.9 . .
N1 C6 H6B 108.9 . .
C5 C6 H6B 108.9 . .
H6A C6 H6B 107.7 . .
C8 C7 N1 106.7(2) . .
C8 C7 H7 126.6 . .
N1 C7 H7 126.6 . .
C7 C8 N2 107.1(2) . .
C7 C8 H8 126.5 . .
N2 C8 H8 126.5 . .
N2 C9 N1 103.77(19) . .
N2 C9 Ru1 134.49(18) . .
N1 C9 Ru1 121.73(18) . .
C11 C10 C15 122.8(2) . .
C11 C10 N2 119.2(2) . .
C15 C10 N2 118.0(2) . .
C10 C11 C12 117.5(2) . .
C10 C11 C16 121.2(3) . .
C12 C11 C16 121.3(3) . .
C13 C12 C11 122.0(3) . .
C13 C12 H12 119.0 . .
C11 C12 H12 119.0 . .
C12 C13 C14 118.8(3) . .
C12 C13 C18 121.1(3) . .
C14 C13 C18 120.1(3) . .
C13 C14 C15 121.7(3) . .
C13 C14 H14 119.2 . .
C15 C14 H14 119.2 . .
C14 C15 C10 117.3(2) . .
C14 C15 C17 121.2(2) . .
C10 C15 C17 121.5(2) . .
C11 C16 H16A 109.5 . .
C11 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C11 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C17 H17A 109.5 . .
C15 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C15 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C13 C18 H18A 109.5 . .
C13 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C13 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C22 C21 Ru1 118.86(18) . .
C22 C21 H21 120.6 . .
Ru1 C21 H21 120.6 . .
C27 C22 C23 118.6(2) . .
C27 C22 C21 119.2(2) . .
C23 C22 C21 122.1(2) . .
C24 C23 C22 120.3(2) . .
C24 C23 H23 119.9 . .
C22 C23 H23 119.9 . .
C23 C24 C25 119.4(2) . .
C23 C24 H24 120.3 . .
C25 C24 H24 120.3 . .
C26 C25 C24 121.8(2) . .
C26 C25 H25 119.1 . .
C24 C25 H25 119.1 . .
C27 C26 C25 117.9(2) . .
C27 C26 H26 121.1 . .
C25 C26 H26 121.1 . .
C26 C27 O1 125.4(2) . .
C26 C27 C22 121.9(2) . .
O1 C27 C22 112.68(19) . .
O1 C28 C29 110.4(2) . .
O1 C28 C30 105.9(2) . .
C29 C28 C30 112.3(2) . .
O1 C28 H28 109.4 . .
C29 C28 H28 109.4 . .
C30 C28 H28 109.4 . .
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 . .
C28 C30 H30A 109.5 . .
C28 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C28 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C21 1.834(2) .
Ru1 C9 1.983(2) .
Ru1 O1 2.2764(16) .
Ru1 Cl2 2.3408(6) .
Ru1 Cl1 2.3457(6) .
O1 C27 1.385(3) .
O1 C28 1.462(3) .
N1 C9 1.369(3) .
N1 C7 1.387(3) .
N1 C6 1.478(3) .
N2 C9 1.363(3) .
N2 C8 1.391(3) .
N2 C10 1.446(3) .
C1 C2 1.440(6) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.522(5) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.533(4) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.521(4) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.502(4) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C8 1.341(4) .
C7 H7 0.9500 .
C8 H8 0.9500 .
C10 C11 1.387(4) .
C10 C15 1.397(3) .
C11 C12 1.391(4) .
C11 C16 1.508(4) .
C12 C13 1.382(4) .
C12 H12 0.9500 .
C13 C14 1.388(4) .
C13 C18 1.514(4) .
C14 C15 1.394(4) .
C14 H14 0.9500 .
C15 C17 1.504(4) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C21 C22 1.451(3) .
C21 H21 0.9500 .
C22 C27 1.396(3) .
C22 C23 1.400(3) .
C23 C24 1.384(4) .
C23 H23 0.9500 .
C24 C25 1.389(4) .
C24 H24 0.9500 .
C25 C26 1.387(4) .
C25 H25 0.9500 .
C26 C27 1.384(3) .
C26 H26 0.9500 .
C28 C29 1.509(4) .
C28 C30 1.510(4) .
C28 H28 1.0000 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
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
C21 Ru1 O1 C27 -2.83(15) . . . .
Cl2 Ru1 O1 C27 -107.21(14) . . . .
Cl1 Ru1 O1 C27 101.16(14) . . . .
C21 Ru1 O1 C28 169.2(2) . . . .
Cl2 Ru1 O1 C28 64.86(19) . . . .
Cl1 Ru1 O1 C28 -86.77(19) . . . .
C1 C2 C3 C4 178.7(4) . . . .
C2 C3 C4 C5 177.7(3) . . . .
C3 C4 C5 C6 179.3(3) . . . .
C9 N1 C6 C5 -178.4(2) . . . .
C7 N1 C6 C5 1.2(4) . . . .
C4 C5 C6 N1 -178.4(3) . . . .
C9 N1 C7 C8 0.3(3) . . . .
C6 N1 C7 C8 -179.4(3) . . . .
N1 C7 C8 N2 -0.1(3) . . . .
C9 N2 C8 C7 -0.1(3) . . . .
C10 N2 C8 C7 -178.7(2) . . . .
C8 N2 C9 N1 0.3(3) . . . .
C10 N2 C9 N1 178.8(2) . . . .
C8 N2 C9 Ru1 -178.2(2) . . . .
C10 N2 C9 Ru1 0.3(4) . . . .
C7 N1 C9 N2 -0.3(3) . . . .
C6 N1 C9 N2 179.3(2) . . . .
C7 N1 C9 Ru1 178.36(18) . . . .
C6 N1 C9 Ru1 -2.0(3) . . . .
C21 Ru1 C9 N2 -1.4(3) . . . .
Cl2 Ru1 C9 N2 103.0(2) . . . .
Cl1 Ru1 C9 N2 -105.4(2) . . . .
C21 Ru1 C9 N1 -179.67(19) . . . .
Cl2 Ru1 C9 N1 -75.28(18) . . . .
Cl1 Ru1 C9 N1 76.37(18) . . . .
C9 N2 C10 C11 90.1(3) . . . .
C8 N2 C10 C11 -91.6(3) . . . .
C9 N2 C10 C15 -88.7(3) . . . .
C8 N2 C10 C15 89.6(3) . . . .
C15 C10 C11 C12 0.3(4) . . . .
N2 C10 C11 C12 -178.4(2) . . . .
C15 C10 C11 C16 177.6(3) . . . .
N2 C10 C11 C16 -1.1(4) . . . .
C10 C11 C12 C13 0.4(4) . . . .
C16 C11 C12 C13 -176.9(3) . . . .
C11 C12 C13 C14 -0.6(4) . . . .
C11 C12 C13 C18 178.8(3) . . . .
C12 C13 C14 C15 -0.1(4) . . . .
C18 C13 C14 C15 -179.4(3) . . . .
C13 C14 C15 C10 0.8(4) . . . .
C13 C14 C15 C17 178.2(3) . . . .
C11 C10 C15 C14 -0.9(4) . . . .
N2 C10 C15 C14 177.8(2) . . . .
C11 C10 C15 C17 -178.3(2) . . . .
N2 C10 C15 C17 0.4(4) . . . .
C9 Ru1 C21 C22 -177.54(19) . . . .
O1 Ru1 C21 C22 2.43(18) . . . .
Cl2 Ru1 C21 C22 89.63(19) . . . .
Cl1 Ru1 C21 C22 -83.87(19) . . . .
Ru1 C21 C22 C27 -1.9(3) . . . .
Ru1 C21 C22 C23 178.03(19) . . . .
C27 C22 C23 C24 0.6(4) . . . .
C21 C22 C23 C24 -179.3(2) . . . .
C22 C23 C24 C25 0.7(4) . . . .
C23 C24 C25 C26 -0.9(4) . . . .
C24 C25 C26 C27 -0.2(4) . . . .
C25 C26 C27 O1 -179.6(2) . . . .
C25 C26 C27 C22 1.5(4) . . . .
C28 O1 C27 C26 10.5(3) . . . .
Ru1 O1 C27 C26 -176.4(2) . . . .
C28 O1 C27 C22 -170.5(2) . . . .
Ru1 O1 C27 C22 2.5(2) . . . .
C23 C22 C27 C26 -1.8(4) . . . .
C21 C22 C27 C26 178.2(2) . . . .
C23 C22 C27 O1 179.2(2) . . . .
C21 C22 C27 O1 -0.8(3) . . . .
C27 O1 C28 C29 67.4(3) . . . .
Ru1 O1 C28 C29 -104.0(2) . . . .
C27 O1 C28 C30 -170.8(2) . . . .
Ru1 O1 C28 C30 17.8(3) . . . .
