#------------------------------------------------------------------------------
#$Date: 2016-03-22 10:34:49 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178876 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/05/4110554.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_4110554
loop_
_publ_author_name
'Ester Masllorens'
'Montserrat Rodríguez'
'Isabel Romero'
'Anna Roglans'
'Teodor Parella'
'Jordi Benet-Buchholz'
'Macarena Poyatos'
'Antoni Llobet'
_publ_contact_author
;
    Dr. Benet-Buchholz, Jordi
    Institut Català d'Investigació Química (ICIQ)    
    X-ray Diffraction Unit
    Avgda. Paīsos Catalans 16
    E-43007 Tarragona, Spain
;
_publ_contact_author_email       jbenet@iciq.es
_publ_contact_author_fax         '+34 977 920 224'
_publ_contact_author_phone       '+34 977 920 204'
_publ_section_title
;
 Can the Disproportion of Oxidation State III Be Favored in RuII-OH2/RuIVO
 Systems?
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5306
_journal_page_last               5307
_journal_paper_doi               10.1021/ja057733+
_journal_volume                  128
_journal_year                    2006
_chemical_formula_sum            'C29 H36 Cl2 N7 O9 Ru'
_chemical_formula_weight         798.62
_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                85.691(2)
_cell_angle_beta                 70.108(2)
_cell_angle_gamma                66.546(2)
_cell_formula_units_Z            2
_cell_length_a                   11.0790(5)
_cell_length_b                   12.0148(5)
_cell_length_c                   14.8266(7)
_cell_measurement_temperature    153(2)
_cell_volume                     1698.35(14)
_computing_cell_refinement       'Bruker SAINT program Vers. 5.0'
_computing_data_collection       'Bruker SMART CCD area detector system'
_computing_data_reduction        'Bruker SAINT program Vers. 5.0'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 512
_diffrn_detector_type            'Smart 1000 CCD area detector'
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'four-circle diffractometer Bruker P4'
_diffrn_measurement_method
;
 Fullsphere data collection, phi and omega scans,
 in omega at 0.3 deg scan width, three runs with 98, 67 and 67 frames, phi=0 deg
 in phi at 0.3 deg scan width, two runs with 1207 frames, omega=-32 deg
;
_diffrn_measurement_specimen_support
'magnetic support whith 10 micron nylon fiber cryoloop'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0868
_diffrn_reflns_av_sigmaI/netI    0.1380
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            24593
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.85
_diffrn_source                   'rotating anode X-ray tube'
_diffrn_source_current           250
_diffrn_source_power             47
_diffrn_source_size              '10 mm x 0.5 mm fine focus'
_diffrn_source_type              'MACScience Co. M18X-HF'
_exptl_absorpt_coefficient_mu    0.681
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.773982
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
; 
 SADABS Version 2.1 2003 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.562
_exptl_crystal_description       block
_exptl_crystal_F_000             818
_exptl_crystal_preparation
;
 Slow diffusion of diethylethre into a solution of the compound
 in dichloromethane at room temperature.
;
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.583
_refine_diff_density_min         -0.753
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.881
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     435
_refine_ls_number_reflns         9611
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.881
_refine_ls_R_factor_all          0.1287
_refine_ls_R_factor_gt           0.0634
_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)+(0.0743P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1365
_refine_ls_wR_factor_ref         0.1574
_reflns_number_gt                5003
_reflns_number_total             9611
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja057733si20060315_081725_1.cif
_cod_data_source_block           em452gig
_cod_original_cell_volume        1698.35(13)
_cod_database_code               4110554
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
Ru1 Ru 0.88006(4) 0.19634(3) 0.23418(3) 0.03008(12) Uani 1 1 d .
O1 O 1.0045(3) 0.0059(3) 0.2298(2) 0.0397(8) Uani 1 1 d .
H1A H 0.9709 -0.0393 0.2677 0.060 Uiso 1 1 d R
H1B H 1.0875 -0.0245 0.1900 0.060 Uiso 1 1 d R
N1 N 1.1134(4) 0.2161(4) 0.0359(3) 0.0402(10) Uani 1 1 d .
C1 C 1.0016(5) 0.1956(4) 0.0935(3) 0.0342(10) Uani 1 1 d .
N2 N 0.9491(4) 0.1696(4) 0.0291(3) 0.0396(9) Uani 1 1 d .
C2 C 1.1301(6) 0.2006(5) -0.0602(4) 0.0481(13) Uani 1 1 d .
H2A H 1.2027 0.2087 -0.1136 0.058 Uiso 1 1 calc R
N3 N 0.7808(4) 0.1520(4) 0.1613(3) 0.0384(9) Uani 1 1 d .
C3 C 1.0294(6) 0.1730(5) -0.0650(4) 0.0480(13) Uani 1 1 d .
H3A H 1.0145 0.1583 -0.1216 0.058 Uiso 1 1 calc R
N4 N 0.6337(4) 0.1439(4) 0.3076(3) 0.0423(10) Uani 1 1 d .
C4 C 0.8276(5) 0.1459(4) 0.0641(4) 0.0393(11) Uani 1 1 d .
N5 N 0.6589(4) 0.1774(4) 0.4391(3) 0.0465(11) Uani 1 1 d .
C5 C 0.7596(6) 0.1186(5) 0.0122(4) 0.0514(14) Uani 1 1 d .
H5A H 0.7928 0.1141 -0.0561 0.062 Uiso 1 1 calc R
N6 N 0.7796(4) 0.3779(3) 0.2387(3) 0.0311(8) Uani 1 1 d .
C6 C 0.6415(6) 0.0980(5) 0.0632(5) 0.0589(16) Uani 1 1 d .
H6A H 0.5923 0.0799 0.0290 0.071 Uiso 1 1 calc R
N7 N 0.9723(4) 0.2511(3) 0.3098(3) 0.0328(8) Uani 1 1 d .
C7 C 0.5927(6) 0.1029(5) 0.1615(5) 0.0555(15) Uani 1 1 d .
H7A H 0.5121 0.0871 0.1956 0.067 Uiso 1 1 calc R
C8 C 0.6654(5) 0.1317(4) 0.2092(4) 0.0422(12) Uani 1 1 d .
C9 C 0.5272(6) 0.1270(5) 0.3835(5) 0.0580(16) Uani 1 1 d .
H9A H 0.4566 0.1047 0.3781 0.070 Uiso 1 1 calc R
C10 C 0.5427(6) 0.1477(6) 0.4641(5) 0.0596(16) Uani 1 1 d .
H10A H 0.4853 0.1432 0.5274 0.071 Uiso 1 1 calc R
C11 C 0.7164(5) 0.1756(4) 0.3432(4) 0.0378(11) Uani 1 1 d .
C12 C 1.2018(5) 0.2516(5) 0.0705(4) 0.0413(12) Uani 1 1 d .
H12A H 1.3010 0.2016 0.0340 0.050 Uiso 1 1 calc R
H12B H 1.1852 0.2338 0.1389 0.050 Uiso 1 1 calc R
C13 C 1.1776(6) 0.3835(5) 0.0617(4) 0.0530(14) Uani 1 1 d .
H13A H 1.0803 0.4344 0.1014 0.064 Uiso 1 1 calc R
H13B H 1.1901 0.4031 -0.0061 0.064 Uiso 1 1 calc R
C14 C 1.2797(8) 0.4132(6) 0.0947(6) 0.075(2) Uani 1 1 d .
H14A H 1.2683 0.3909 0.1618 0.090 Uiso 1 1 calc R
H14B H 1.3766 0.3622 0.0543 0.090 Uiso 1 1 calc R
C15 C 1.2602(10) 0.5428(7) 0.0896(7) 0.108(3) Uani 1 1 d .
H15A H 1.3317 0.5538 0.1083 0.162 Uiso 1 1 calc R
H15B H 1.1672 0.5937 0.1334 0.162 Uiso 1 1 calc R
H15C H 1.2688 0.5665 0.0237 0.162 Uiso 1 1 calc R
C16 C 0.7084(6) 0.2119(5) 0.5065(4) 0.0521(14) Uani 1 1 d .
H16A H 0.8117 0.1809 0.4803 0.063 Uiso 1 1 calc R
H16B H 0.6820 0.1739 0.5676 0.063 Uiso 1 1 calc R
C17 C 0.6486(6) 0.3479(5) 0.5260(4) 0.0502(13) Uani 1 1 d .
H17A H 0.5456 0.3779 0.5550 0.060 Uiso 1 1 calc R
H17B H 0.6705 0.3858 0.4642 0.060 Uiso 1 1 calc R
C18 C 0.7043(7) 0.3887(7) 0.5928(4) 0.0690(19) Uani 1 1 d .
H18A H 0.6776 0.3551 0.6561 0.083 Uiso 1 1 calc R
H18B H 0.8077 0.3552 0.5658 0.083 Uiso 1 1 calc R
C19 C 0.6492(9) 0.5257(7) 0.6070(5) 0.088(2) Uani 1 1 d .
H19A H 0.6826 0.5471 0.6537 0.131 Uiso 1 1 calc R
H19B H 0.5467 0.5598 0.6309 0.131 Uiso 1 1 calc R
H19C H 0.6825 0.5590 0.5455 0.131 Uiso 1 1 calc R
C20 C 0.6791(5) 0.4384(4) 0.2008(3) 0.0369(11) Uani 1 1 d .
H20A H 0.6484 0.3929 0.1707 0.044 Uiso 1 1 calc R
C21 C 0.6187(5) 0.5631(5) 0.2034(4) 0.0439(12) Uani 1 1 d .
H21A H 0.5484 0.6025 0.1753 0.053 Uiso 1 1 calc R
C22 C 0.6613(6) 0.6297(5) 0.2472(4) 0.0487(13) Uani 1 1 d .
H22A H 0.6200 0.7161 0.2508 0.058 Uiso 1 1 calc R
C23 C 0.7645(6) 0.5702(5) 0.2859(4) 0.0454(12) Uani 1 1 d .
H23A H 0.7955 0.6151 0.3163 0.054 Uiso 1 1 calc R
C24 C 0.8229(5) 0.4447(4) 0.2803(3) 0.0344(10) Uani 1 1 d .
C25 C 0.9320(5) 0.3733(5) 0.3207(3) 0.0379(11) Uani 1 1 d .
C26 C 0.9889(6) 0.4239(5) 0.3683(4) 0.0483(13) Uani 1 1 d .
H26A H 1.0334 0.4721 0.3225 0.058 Uiso 1 1 calc R
H26B H 0.9108 0.4815 0.4208 0.058 Uiso 1 1 calc R
C27 C 1.0862(6) 0.3462(6) 0.4076(4) 0.0547(15) Uani 1 1 d .
H27A H 1.1261 0.3783 0.4410 0.066 Uiso 1 1 calc R
C28 C 1.1248(6) 0.2231(6) 0.3983(4) 0.0491(13) Uani 1 1 d .
H28A H 1.1909 0.1691 0.4255 0.059 Uiso 1 1 calc R
C29 C 1.0666(5) 0.1793(5) 0.3493(3) 0.0394(11) Uani 1 1 d .
H29A H 1.0944 0.0938 0.3428 0.047 Uiso 1 1 calc R
Cl1 Cl 0.38099(12) 0.90413(11) 0.19702(9) 0.0416(3) Uani 1 1 d .
O1S O 0.5110(4) 0.8481(4) 0.1241(3) 0.0717(13) Uani 1 1 d .
O2S O 0.4011(5) 0.9357(4) 0.2804(3) 0.0671(12) Uani 1 1 d .
O3S O 0.3140(6) 0.8237(6) 0.2213(4) 0.115(2) Uani 1 1 d .
O4S O 0.2934(6) 1.0065(4) 0.1637(3) 0.0989(19) Uani 1 1 d .
Cl2 Cl 0.85782(16) -0.19048(12) 0.35105(10) 0.0521(3) Uani 1 1 d .
O1T O 0.8904(6) -0.0989(4) 0.3830(3) 0.0783(14) Uani 1 1 d .
O2T O 0.7815(7) -0.1414(4) 0.2890(4) 0.0988(18) Uani 1 1 d .
O3T O 0.9856(5) -0.2842(5) 0.2986(5) 0.117(2) Uani 1 1 d .
O4T O 0.7817(5) -0.2379(5) 0.4285(3) 0.0833(16) 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'
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
N3 Ru1 N6 97.47(15)
N3 Ru1 N7 176.76(16)
N6 Ru1 N7 79.40(15)
N3 Ru1 C1 77.91(18)
N6 Ru1 C1 90.10(16)
N7 Ru1 C1 102.84(16)
N3 Ru1 C11 77.59(18)
N6 Ru1 C11 93.73(16)
N7 Ru1 C11 101.66(17)
C1 Ru1 C11 155.49(19)
N3 Ru1 O1 87.51(14)
N6 Ru1 O1 174.32(14)
N7 Ru1 O1 95.65(14)
C1 Ru1 O1 88.27(15)
C11 Ru1 O1 89.99(15)
C1 N1 C2 110.6(4)
C1 N1 C12 124.1(4)
C2 N1 C12 125.3(4)
N1 C1 N2 103.1(4)
N1 C1 Ru1 144.8(4)
N2 C1 Ru1 112.0(3)
C3 N2 C1 111.4(4)
C3 N2 C4 129.3(4)
C1 N2 C4 119.3(4)
C3 C2 N1 108.9(5)
C8 N3 C4 119.9(4)
C8 N3 Ru1 119.9(4)
C4 N3 Ru1 120.1(3)
C2 C3 N2 106.0(5)
C11 N4 C8 119.7(4)
C11 N4 C9 109.9(5)
C8 N4 C9 130.4(5)
N3 C4 C5 121.4(5)
N3 C4 N2 110.5(4)
C5 C4 N2 128.1(5)
C11 N5 C10 111.2(5)
C11 N5 C16 123.6(4)
C10 N5 C16 125.1(5)
C4 C5 C6 117.4(5)
C20 N6 C24 117.5(4)
C20 N6 Ru1 126.3(3)
C24 N6 Ru1 116.2(3)
C7 C6 C5 122.2(5)
C29 N7 C25 117.8(4)
C29 N7 Ru1 126.8(3)
C25 N7 Ru1 115.4(3)
C6 C7 C8 117.4(5)
N3 C8 C7 121.6(5)
N3 C8 N4 111.1(4)
C7 C8 N4 127.3(5)
C10 C9 N4 107.3(5)
C9 C10 N5 107.3(5)
N5 C11 N4 104.3(4)
N5 C11 Ru1 143.9(4)
N4 C11 Ru1 111.7(3)
N1 C12 C13 113.9(4)
C12 C13 C14 111.1(5)
C15 C14 C13 114.1(6)
N5 C16 C17 111.9(5)
C16 C17 C18 113.6(5)
C19 C18 C17 112.7(6)
N6 C20 C21 123.0(5)
C22 C21 C20 119.0(5)
C21 C22 C23 119.1(5)
C22 C23 C24 119.6(5)
N6 C24 C23 121.7(4)
N6 C24 C25 114.7(4)
C23 C24 C25 123.5(5)
N7 C25 C26 121.9(5)
N7 C25 C24 114.1(4)
C26 C25 C24 124.0(5)
C27 C26 C25 118.2(5)
C28 C27 C26 120.0(5)
C29 C28 C27 118.8(5)
N7 C29 C28 123.3(5)
O3S Cl1 O1S 109.5(4)
O3S Cl1 O4S 106.6(4)
O1S Cl1 O4S 110.3(3)
O3S Cl1 O2S 108.9(3)
O1S Cl1 O2S 109.8(3)
O4S Cl1 O2S 111.7(3)
O2T Cl2 O4T 109.6(3)
O2T Cl2 O3T 108.0(4)
O4T Cl2 O3T 109.9(4)
O2T Cl2 O1T 109.8(3)
O4T Cl2 O1T 112.0(3)
O3T Cl2 O1T 107.4(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Ru1 N3 2.005(4)
Ru1 N6 2.011(4)
Ru1 N7 2.038(4)
Ru1 C1 2.061(5)
Ru1 C11 2.066(5)
Ru1 O1 2.142(3)
N1 C1 1.347(6)
N1 C2 1.390(6)
N1 C12 1.454(6)
C1 N2 1.385(6)
N2 C3 1.384(6)
N2 C4 1.403(6)
C2 C3 1.308(7)
N3 C8 1.343(6)
N3 C4 1.352(6)
N4 C11 1.378(6)
N4 C8 1.385(7)
N4 C9 1.398(7)
C4 C5 1.377(7)
N5 C11 1.344(6)
N5 C10 1.395(7)
N5 C16 1.444(7)
C5 C6 1.379(8)
N6 C20 1.343(6)
N6 C24 1.355(6)
C6 C7 1.367(8)
N7 C29 1.343(6)
N7 C25 1.359(6)
C7 C8 1.383(7)
C9 C10 1.317(9)
C12 C13 1.501(7)
C13 C14 1.540(8)
C14 C15 1.485(9)
C16 C17 1.507(8)
C17 C18 1.527(8)
C18 C19 1.514(10)
C20 C21 1.373(7)
C21 C22 1.368(7)
C22 C23 1.371(7)
C23 C24 1.380(7)
C24 C25 1.465(7)
C25 C26 1.393(7)
C26 C27 1.384(8)
C27 C28 1.370(8)
C28 C29 1.366(7)
Cl1 O3S 1.396(5)
Cl1 O1S 1.405(4)
Cl1 O4S 1.408(4)
Cl1 O2S 1.431(4)
Cl2 O2T 1.401(5)
Cl2 O4T 1.407(4)
Cl2 O3T 1.411(5)
Cl2 O1T 1.441(4)
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
C2 N1 C1 N2 -1.3(5)
C12 N1 C1 N2 177.7(4)
C2 N1 C1 Ru1 -177.0(5)
C12 N1 C1 Ru1 2.0(9)
N3 Ru1 C1 N1 177.1(6)
N6 Ru1 C1 N1 79.5(6)
N7 Ru1 C1 N1 0.3(6)
C11 Ru1 C1 N1 178.7(5)
O1 Ru1 C1 N1 -95.1(6)
N3 Ru1 C1 N2 1.6(3)
N6 Ru1 C1 N2 -96.0(3)
N7 Ru1 C1 N2 -175.2(3)
C11 Ru1 C1 N2 3.2(6)
O1 Ru1 C1 N2 89.4(3)
N1 C1 N2 C3 0.8(5)
Ru1 C1 N2 C3 178.2(3)
N1 C1 N2 C4 -178.4(4)
Ru1 C1 N2 C4 -1.1(5)
C1 N1 C2 C3 1.3(6)
C12 N1 C2 C3 -177.7(5)
N6 Ru1 N3 C8 -91.7(4)
N7 Ru1 N3 C8 -76(3)
C1 Ru1 N3 C8 179.8(4)
C11 Ru1 N3 C8 0.5(4)
O1 Ru1 N3 C8 91.0(4)
N6 Ru1 N3 C4 86.4(4)
N7 Ru1 N3 C4 102(3)
C1 Ru1 N3 C4 -2.1(3)
C11 Ru1 N3 C4 178.6(4)
O1 Ru1 N3 C4 -90.9(4)
N1 C2 C3 N2 -0.7(6)
C1 N2 C3 C2 -0.1(6)
C4 N2 C3 C2 179.1(5)
C8 N3 C4 C5 -0.3(7)
Ru1 N3 C4 C5 -178.4(4)
C8 N3 C4 N2 -179.8(4)
Ru1 N3 C4 N2 2.1(5)
C3 N2 C4 N3 -179.7(5)
C1 N2 C4 N3 -0.6(6)
C3 N2 C4 C5 0.9(8)
C1 N2 C4 C5 180.0(5)
N3 C4 C5 C6 0.2(8)
N2 C4 C5 C6 179.6(5)
N3 Ru1 N6 C20 -0.3(4)
N7 Ru1 N6 C20 -179.4(4)
C1 Ru1 N6 C20 77.5(4)
C11 Ru1 N6 C20 -78.3(4)
O1 Ru1 N6 C20 150.8(13)
N3 Ru1 N6 C24 -177.0(3)
N7 Ru1 N6 C24 3.9(3)
C1 Ru1 N6 C24 -99.2(3)
C11 Ru1 N6 C24 105.0(3)
O1 Ru1 N6 C24 -25.9(16)
C4 C5 C6 C7 -0.6(9)
N3 Ru1 N7 C29 161(3)
N6 Ru1 N7 C29 175.9(4)
C1 Ru1 N7 C29 -96.4(4)
C11 Ru1 N7 C29 84.3(4)
O1 Ru1 N7 C29 -6.9(4)
N3 Ru1 N7 C25 -19(3)
N6 Ru1 N7 C25 -3.8(3)
C1 Ru1 N7 C25 83.9(3)
C11 Ru1 N7 C25 -95.5(3)
O1 Ru1 N7 C25 173.4(3)
C5 C6 C7 C8 1.1(9)
C4 N3 C8 C7 0.8(7)
Ru1 N3 C8 C7 178.9(4)
C4 N3 C8 N4 -179.1(4)
Ru1 N3 C8 N4 -1.0(5)
C6 C7 C8 N3 -1.2(8)
C6 C7 C8 N4 178.7(5)
C11 N4 C8 N3 1.2(6)
C9 N4 C8 N3 -177.5(5)
C11 N4 C8 C7 -178.7(5)
C9 N4 C8 C7 2.5(9)
C11 N4 C9 C10 0.1(6)
C8 N4 C9 C10 178.9(5)
N4 C9 C10 N5 -0.1(7)
C11 N5 C10 C9 0.1(7)
C16 N5 C10 C9 177.1(5)
C10 N5 C11 N4 0.0(6)
C16 N5 C11 N4 -177.1(4)
C10 N5 C11 Ru1 -177.1(5)
C16 N5 C11 Ru1 5.8(9)
C8 N4 C11 N5 -179.0(4)
C9 N4 C11 N5 -0.1(5)
C8 N4 C11 Ru1 -0.9(5)
C9 N4 C11 Ru1 178.1(3)
N3 Ru1 C11 N5 177.2(6)
N6 Ru1 C11 N5 -86.0(6)
N7 Ru1 C11 N5 -6.0(6)
C1 Ru1 C11 N5 175.6(5)
O1 Ru1 C11 N5 89.7(6)
N3 Ru1 C11 N4 0.2(3)
N6 Ru1 C11 N4 97.1(3)
N7 Ru1 C11 N4 177.0(3)
C1 Ru1 C11 N4 -1.4(6)
O1 Ru1 C11 N4 -87.2(3)
C1 N1 C12 C13 -104.5(5)
C2 N1 C12 C13 74.3(6)
N1 C12 C13 C14 -177.0(5)
C12 C13 C14 C15 -179.0(6)
C11 N5 C16 C17 83.5(6)
C10 N5 C16 C17 -93.2(6)
N5 C16 C17 C18 -177.0(4)
C16 C17 C18 C19 176.8(5)
C24 N6 C20 C21 -0.7(6)
Ru1 N6 C20 C21 -177.4(3)
N6 C20 C21 C22 -0.5(7)
C20 C21 C22 C23 1.0(7)
C21 C22 C23 C24 -0.2(8)
C20 N6 C24 C23 1.5(6)
Ru1 N6 C24 C23 178.5(4)
C20 N6 C24 C25 179.7(4)
Ru1 N6 C24 C25 -3.3(5)
C22 C23 C24 N6 -1.0(7)
C22 C23 C24 C25 -179.0(5)
C29 N7 C25 C26 2.1(7)
Ru1 N7 C25 C26 -178.2(4)
C29 N7 C25 C24 -176.6(4)
Ru1 N7 C25 C24 3.1(5)
N6 C24 C25 N7 0.1(6)
C23 C24 C25 N7 178.2(4)
N6 C24 C25 C26 -178.6(4)
C23 C24 C25 C26 -0.4(7)
N7 C25 C26 C27 -1.9(8)
C24 C25 C26 C27 176.6(5)
C25 C26 C27 C28 0.6(8)
C26 C27 C28 C29 0.5(8)
C25 N7 C29 C28 -0.9(7)
Ru1 N7 C29 C28 179.4(4)
C27 C28 C29 N7 -0.4(8)
