#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:58:25 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178708 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/19/4081972.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_4081972
loop_
_publ_author_name
'Annibale, Vincent T.'
'Batcup, Rhys'
'Bai, Tao'
'Hughes, Sarah J.'
'Song, Datong'
_publ_section_title
;
 RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From
 Linkage Isomers to Coordination-Driven Self-Assembly
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              6511
_journal_paper_doi               10.1021/om400846f
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C108 H112 N8 Ru4'
_chemical_formula_weight         1926.33
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                106.468(2)
_cell_angle_beta                 101.688(2)
_cell_angle_gamma                117.988(2)
_cell_formula_units_Z            1
_cell_length_a                   14.0061(6)
_cell_length_b                   14.1224(6)
_cell_length_c                   14.1981(6)
_cell_measurement_reflns_used    42909
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.119
_cell_measurement_theta_min      1.629
_cell_volume                     2183.45(18)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.962
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            42909
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.119
_diffrn_reflns_theta_min         1.629
_exptl_absorpt_coefficient_mu    0.734
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6847
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker Apex 2'
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_description       Block
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.275
_refine_diff_density_max         0.645
_refine_diff_density_min         -0.581
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     545
_refine_ls_number_reflns         13526
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0306
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0282P)²+1.2275P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0657
_refine_ls_wR_factor_ref         0.0714
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10795
_reflns_number_total             13526
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om400846f_si_001.cif
_cod_data_source_block           2benzene
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2183.45(17)
_cod_database_code               4081972
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.758
_shelx_estimated_absorpt_t_max   0.824
_shelxl_version_number           2013-4
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.69872(2) -0.04582(2) 0.66387(2) 0.01553(4) Uani 1 1 d . . . . .
Ru2 Ru 0.97627(2) 0.23809(2) 1.18064(2) 0.01487(4) Uani 1 1 d . . . . .
N1 N 0.69760(13) -0.08983(13) 0.79824(12) 0.0170(3) Uani 1 1 d . . . . .
N2 N 0.87978(13) 0.09064(13) 0.77828(12) 0.0174(3) Uani 1 1 d . . . . .
N3 N 1.16260(13) 0.30606(13) 1.24796(12) 0.0181(3) Uani 1 1 d . . . . .
N4 N 0.96929(13) 0.12332(14) 1.25754(12) 0.0179(3) Uani 1 1 d . . . . .
C1 C 0.61919(16) -0.17376(17) 0.81913(15) 0.0227(4) Uani 1 1 d . . . . .
H1 H 0.5412 -0.2302 0.7664 0.027 Uiso 1 1 calc R U . . .
C2 C 0.64880(18) -0.18054(17) 0.91570(16) 0.0250(4) Uani 1 1 d . . . . .
H2 H 0.5910 -0.2430 0.9258 0.030 Uiso 1 1 calc R U . . .
C3 C 0.76048(17) -0.09865(17) 0.99807(15) 0.0212(4) Uani 1 1 d . . . . .
H3 H 0.7795 -0.1051 1.0631 0.025 Uiso 1 1 calc R U . . .
C4 C 0.84356(16) -0.00675(15) 0.98162(14) 0.0165(3) Uani 1 1 d . . . . .
C5 C 0.80391(15) -0.01383(15) 0.87904(13) 0.0154(3) Uani 1 1 d . . . . .
C6 C 0.89621(15) 0.07703(15) 0.86875(14) 0.0152(3) Uani 1 1 d . . . . .
C7 C 0.99680(15) 0.14475(16) 0.96460(14) 0.0165(3) Uani 1 1 d . . . . .
C8 C 1.09571(16) 0.23768(17) 0.96351(15) 0.0216(4) Uani 1 1 d . . . . .
H8 H 1.1688 0.2875 1.0237 0.026 Uiso 1 1 calc R U . . .
C9 C 1.08297(17) 0.25452(17) 0.87076(16) 0.0236(4) Uani 1 1 d . . . . .
H9 H 1.1489 0.3175 0.8685 0.028 Uiso 1 1 calc R U . . .
C10 C 0.97657(17) 0.18199(17) 0.78113(15) 0.0220(4) Uani 1 1 d . . . . .
H10 H 0.9724 0.1977 0.7201 0.026 Uiso 1 1 calc R U . . .
C11 C 0.96621(15) 0.09923(16) 1.04356(14) 0.0166(3) Uani 1 1 d . . . . .
H11 H 1.0195 0.0759 1.0706 0.020 Uiso 1 1 calc R U . . .
C12 C 0.88805(17) 0.04226(18) 1.27915(15) 0.0226(4) Uani 1 1 d . . . . .
H12 H 0.8086 0.0181 1.2499 0.027 Uiso 1 1 calc R U . . .
C13 C 0.91653(19) -0.00754(19) 1.34313(16) 0.0273(4) Uani 1 1 d . . . . .
H13 H 0.8559 -0.0649 1.3555 0.033 Uiso 1 1 calc R U . . .
C14 C 0.96851(19) -0.02472(19) 0.61073(16) 0.0262(4) Uani 1 1 d . . . . .
H14 H 0.9500 0.0092 0.5670 0.031 Uiso 1 1 calc R U . . .
C15 C 0.88186(17) -0.10824(17) 0.63092(14) 0.0207(4) Uani 1 1 d . . . . .
C16 C 1.07824(16) 0.15026(16) 1.30232(14) 0.0176(3) Uani 1 1 d . . . . .
C17 C 1.17566(15) 0.24280(16) 1.29796(14) 0.0171(3) Uani 1 1 d . . . . .
C18 C 0.72059(16) -0.26209(17) 0.63661(14) 0.0207(4) Uani 1 1 d . . . . .
C19 C 0.61670(17) -0.36137(18) 0.62325(16) 0.0270(4) Uani 1 1 d . . . . .
H19 H 0.5420 -0.3822 0.5803 0.032 Uiso 1 1 calc R U . . .
C20 C 1.37421(17) 0.42887(18) 1.32529(17) 0.0280(4) Uani 1 1 d . . . . .
H20 H 1.4442 0.4969 1.3337 0.034 Uiso 1 1 calc R U . . .
C21 C 1.26535(17) 0.40002(17) 1.26153(16) 0.0238(4) Uani 1 1 d . . . . .
H21 H 1.2638 0.4480 1.2268 0.029 Uiso 1 1 calc R U . . .
C22 C 0.75307(17) -0.17014(18) 0.59672(15) 0.0220(4) Uani 1 1 d . . . . .
H22 H 0.7146 -0.2096 0.5168 0.026 Uiso 1 1 calc R U . . .
C23 C 0.56115(16) -0.01520(18) 0.65422(15) 0.0214(4) Uani 1 1 d . . . . .
C24 C 0.51490(16) -0.13000(17) 0.56935(15) 0.0222(4) Uani 1 1 d . . . . .
C25 C 0.57877(17) -0.10851(18) 0.50242(15) 0.0237(4) Uani 1 1 d . . . . .
C26 C 0.66627(17) 0.01653(18) 0.54627(15) 0.0229(4) Uani 1 1 d . . . . .
C27 C 0.65300(16) 0.07383(17) 0.63967(15) 0.0215(4) Uani 1 1 d . . . . .
C28 C 0.5148(2) 0.0041(2) 0.73966(17) 0.0334(5) Uani 1 1 d . . . . .
H28A H 0.5763 0.0798 0.8021 0.050 Uiso 1 1 calc R U . . .
H28B H 0.4916 -0.0614 0.7605 0.050 Uiso 1 1 calc R U . . .
H28C H 0.4463 0.0064 0.7120 0.050 Uiso 1 1 calc R U . . .
C29 C 0.40973(18) -0.2471(2) 0.5481(2) 0.0363(5) Uani 1 1 d . . . . .
H29A H 0.3381 -0.2587 0.5038 0.054 Uiso 1 1 calc R U . . .
H29B H 0.4055 -0.2473 0.6161 0.054 Uiso 1 1 calc R U . . .
H29C H 0.4168 -0.3118 0.5105 0.054 Uiso 1 1 calc R U . . .
C30 C 0.5530(2) -0.2003(2) 0.39877(16) 0.0396(6) Uani 1 1 d . . . . .
H30A H 0.5187 -0.2779 0.4006 0.059 Uiso 1 1 calc R U . . .
H30B H 0.6262 -0.1775 0.3880 0.059 Uiso 1 1 calc R U . . .
H30C H 0.4972 -0.2056 0.3399 0.059 Uiso 1 1 calc R U . . .
C31 C 0.7461(2) 0.0797(2) 0.4979(2) 0.0382(6) Uani 1 1 d . . . . .
H31A H 0.7106 0.1087 0.4570 0.057 Uiso 1 1 calc R U . . .
H31B H 0.7579 0.0245 0.4502 0.057 Uiso 1 1 calc R U . . .
H31C H 0.8223 0.1474 0.5549 0.057 Uiso 1 1 calc R U . . .
C32 C 0.7223(2) 0.20620(18) 0.70462(18) 0.0336(5) Uani 1 1 d . . . . .
H32A H 0.6988 0.2416 0.6625 0.050 Uiso 1 1 calc R U . . .
H32B H 0.8065 0.2397 0.7243 0.050 Uiso 1 1 calc R U . . .
H32C H 0.7070 0.2239 0.7696 0.050 Uiso 1 1 calc R U . . .
C33 C 0.81383(17) 0.22835(17) 1.14800(16) 0.0228(4) Uani 1 1 d . . . . .
C34 C 0.88824(19) 0.30194(19) 1.26003(16) 0.0255(4) Uani 1 1 d . . . . .
C35 C 0.99484(18) 0.40137(18) 1.27100(15) 0.0242(4) Uani 1 1 d . . . . .
C36 C 0.98737(17) 0.39065(17) 1.16534(16) 0.0229(4) Uani 1 1 d . . . . .
C37 C 0.87556(17) 0.28541(17) 1.09075(15) 0.0211(4) Uani 1 1 d . . . . .
C38 C 0.68827(19) 0.1230(2) 1.1002(2) 0.0380(5) Uani 1 1 d . . . . .
H38A H 0.6775 0.0795 1.1442 0.057 Uiso 1 1 calc R U . . .
H38B H 0.6696 0.0701 1.0275 0.057 Uiso 1 1 calc R U . . .
H38C H 0.6358 0.1507 1.0976 0.057 Uiso 1 1 calc R U . . .
C39 C 0.8553(2) 0.2817(3) 1.3498(2) 0.0427(6) Uani 1 1 d . . . . .
H39A H 0.8160 0.3214 1.3696 0.064 Uiso 1 1 calc R U . . .
H39B H 0.9265 0.3146 1.4117 0.064 Uiso 1 1 calc R U . . .
H39C H 0.8019 0.1960 1.3270 0.064 Uiso 1 1 calc R U . . .
C40 C 1.0963(2) 0.5017(2) 1.37364(19) 0.0428(6) Uani 1 1 d . . . . .
H40A H 1.1704 0.5249 1.3646 0.064 Uiso 1 1 calc R U . . .
H40B H 1.0951 0.4757 1.4307 0.064 Uiso 1 1 calc R U . . .
H40C H 1.0897 0.5701 1.3926 0.064 Uiso 1 1 calc R U . . .
C41 C 1.0725(2) 0.4812(2) 1.1379(2) 0.0364(5) Uani 1 1 d . . . . .
H41A H 1.0757 0.4403 1.0713 0.055 Uiso 1 1 calc R U . . .
H41B H 1.1510 0.5298 1.1958 0.055 Uiso 1 1 calc R U . . .
H41C H 1.0466 0.5327 1.1287 0.055 Uiso 1 1 calc R U . . .
C42 C 0.8276(2) 0.2513(2) 0.97365(16) 0.0308(5) Uani 1 1 d . . . . .
H42A H 0.7890 0.2917 0.9607 0.046 Uiso 1 1 calc R U . . .
H42B H 0.7702 0.1648 0.9344 0.046 Uiso 1 1 calc R U . . .
H42C H 0.8921 0.2750 0.9491 0.046 Uiso 1 1 calc R U . . .
C43 C 0.5523(3) 0.7527(3) 0.1171(2) 0.0512(7) Uani 1 1 d . . . . .
H43 H 0.5888 0.8292 0.1175 0.061 Uiso 1 1 calc R U . . .
C44 C 0.6185(3) 0.7140(3) 0.1497(2) 0.0568(8) Uani 1 1 d . . . . .
H44 H 0.7017 0.7636 0.1733 0.068 Uiso 1 1 calc R U . . .
C45 C 0.5670(4) 0.6039(3) 0.1491(3) 0.0709(10) Uani 1 1 d . . . . .
H45 H 0.6140 0.5771 0.1723 0.085 Uiso 1 1 calc R U . . .
C46 C 0.4461(4) 0.5323(3) 0.1144(3) 0.0814(13) Uani 1 1 d . . . . .
H46 H 0.4093 0.4556 0.1133 0.098 Uiso 1 1 calc R U . . .
C47 C 0.3796(3) 0.5721(3) 0.0818(3) 0.0774(12) Uani 1 1 d . . . . .
H47 H 0.2964 0.5234 0.0579 0.093 Uiso 1 1 calc R U . . .
C48 C 0.4334(3) 0.6825(3) 0.0835(2) 0.0623(8) Uani 1 1 d . . . . .
H48 H 0.3872 0.7103 0.0610 0.075 Uiso 1 1 calc R U . . .
C49 C 0.6897(4) 0.4297(3) 0.2555(4) 0.0512(14) Uani 0.5 1 d G . P A 1
H49 H 0.6203 0.3529 0.2090 0.061 Uiso 0.5 1 calc R U P A 1
C50 C 0.6945(3) 0.4981(4) 0.3509(4) 0.0493(14) Uani 0.5 1 d G . P A 1
H50 H 0.6284 0.4680 0.3695 0.059 Uiso 0.5 1 calc R U P A 1
C51 C 0.7961(4) 0.6105(4) 0.4190(3) 0.0426(11) Uani 0.5 1 d G . P A 1
H51 H 0.7994 0.6573 0.4842 0.051 Uiso 0.5 1 calc R U P A 1
C52 C 0.8929(3) 0.6545(3) 0.3917(3) 0.0422(11) Uani 0.5 1 d G . P A 1
H52 H 0.9623 0.7314 0.4383 0.051 Uiso 0.5 1 calc R U P A 1
C53 C 0.8881(3) 0.5861(4) 0.2964(3) 0.0409(11) Uani 0.5 1 d G . P A 1
H53 H 0.9543 0.6162 0.2777 0.049 Uiso 0.5 1 calc R U P A 1
C54 C 0.7865(5) 0.4737(4) 0.2283(3) 0.0490(13) Uani 0.5 1 d G . P A 1
H54 H 0.7833 0.4269 0.1631 0.059 Uiso 0.5 1 calc R U P A 1
C49B C 0.7019(4) 0.4396(3) 0.2316(3) 0.0422(11) Uani 0.5 1 d G . P B 2
H49B H 0.6464 0.3676 0.1684 0.051 Uiso 0.5 1 calc R U P B 2
C50B C 0.6650(2) 0.4807(4) 0.3081(3) 0.0409(11) Uani 0.5 1 d G . P B 2
H50B H 0.5843 0.4367 0.2971 0.049 Uiso 0.5 1 calc R U P B 2
C51B C 0.7462(3) 0.5861(4) 0.4006(3) 0.0490(13) Uani 0.5 1 d G . P B 2
H51B H 0.7210 0.6141 0.4529 0.059 Uiso 0.5 1 calc R U P B 2
C52B C 0.8643(3) 0.6504(3) 0.4167(3) 0.0512(14) Uani 0.5 1 d G . P B 2
H52B H 0.9198 0.7224 0.4800 0.061 Uiso 0.5 1 calc R U P B 2
C53B C 0.9012(3) 0.6093(4) 0.3403(4) 0.0493(14) Uani 0.5 1 d G . P B 2
H53B H 0.9819 0.6533 0.3513 0.059 Uiso 0.5 1 calc R U P B 2
C54B C 0.8200(4) 0.5040(4) 0.2478(3) 0.0426(11) Uani 0.5 1 d G . P B 2
H54B H 0.8452 0.4759 0.1955 0.051 Uiso 0.5 1 calc R U P B 2
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'
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
C23 Ru1 C27 38.51(7) . .
C23 Ru1 C24 39.19(7) . .
C27 Ru1 C24 65.10(7) . .
C23 Ru1 C26 65.23(7) . .
C27 Ru1 C26 39.05(7) . .
C24 Ru1 C26 65.28(7) . .
C23 Ru1 N1 97.05(6) . .
C27 Ru1 N1 123.81(7) . .
C24 Ru1 N1 104.13(7) . .
C26 Ru1 N1 161.79(7) . .
C23 Ru1 N2 121.75(7) . .
C27 Ru1 N2 96.86(6) . .
C24 Ru1 N2 160.52(7) . .
C26 Ru1 N2 105.90(7) . .
N1 Ru1 N2 79.22(6) . .
C23 Ru1 C25 64.57(7) . .
C27 Ru1 C25 64.37(7) . .
C24 Ru1 C25 38.50(7) . .
C26 Ru1 C25 38.45(8) . .
N1 Ru1 C25 139.15(7) . .
N2 Ru1 C25 141.63(7) . .
C23 Ru1 C22 147.82(7) . .
C27 Ru1 C22 145.63(7) . .
C24 Ru1 C22 108.63(7) . .
C26 Ru1 C22 106.70(7) . .
N1 Ru1 C22 90.54(6) . .
N2 Ru1 C22 90.37(6) . .
C25 Ru1 C22 89.51(7) . .
C34 Ru2 C33 39.01(8) . .
C34 Ru2 C35 38.69(8) . .
C33 Ru2 C35 65.31(7) . .
C34 Ru2 C36 65.04(8) . .
C33 Ru2 C36 65.29(7) . .
C35 Ru2 C36 38.97(7) . .
C34 Ru2 C37 64.60(7) . .
C33 Ru2 C37 38.75(7) . .
C35 Ru2 C37 64.61(7) . .
C36 Ru2 C37 38.44(7) . .
C34 Ru2 N4 95.79(7) . .
C33 Ru2 N4 108.31(7) . .
C35 Ru2 N4 118.17(7) . .
C36 Ru2 N4 157.13(7) . .
C37 Ru2 N4 145.53(7) . .
C34 Ru2 N3 125.55(7) . .
C33 Ru2 N3 161.71(7) . .
C35 Ru2 N3 96.41(7) . .
C36 Ru2 N3 100.78(7) . .
C37 Ru2 N3 134.68(7) . .
N4 Ru2 N3 79.74(6) . .
C34 Ru2 C11 149.42(7) . .
C33 Ru2 C11 112.33(7) . .
C35 Ru2 C11 158.41(7) . .
C36 Ru2 C11 119.58(7) . .
C37 Ru2 C11 99.56(7) . .
N4 Ru2 C11 83.29(6) . .
N3 Ru2 C11 84.52(6) . .
C5 N1 C1 113.73(15) . .
C5 N1 Ru1 109.93(11) . .
C1 N1 Ru1 136.33(12) . .
C6 N2 C10 113.61(15) . .
C6 N2 Ru1 109.39(11) . .
C10 N2 Ru1 137.00(12) . .
C17 N3 C21 113.76(16) . .
C17 N3 Ru2 108.92(12) . .
C21 N3 Ru2 136.85(13) . .
C16 N4 C12 113.75(16) . .
C16 N4 Ru2 109.11(12) . .
C12 N4 Ru2 136.81(13) . .
N1 C1 C2 122.06(17) . .
C1 C2 C3 122.21(18) . .
C2 C3 C4 117.74(17) . .
C3 C4 C5 114.10(16) . .
C3 C4 C11 137.27(16) . .
C5 C4 C11 108.63(15) . .
N1 C5 C6 120.66(15) . .
N1 C5 C4 130.01(16) . .
C6 C5 C4 109.32(15) . .
N2 C6 C5 120.80(16) . .
N2 C6 C7 129.86(16) . .
C5 C6 C7 109.31(15) . .
C8 C7 C6 114.58(16) . .
C8 C7 C11 136.69(17) . .
C6 C7 C11 108.68(15) . .
C9 C8 C7 117.50(17) . .
C8 C9 C10 122.24(17) . .
N2 C10 C9 122.18(17) . .
C4 C11 C7 103.76(14) . .
C4 C11 Ru2 110.84(12) . .
C7 C11 Ru2 110.34(12) . .
N4 C12 C13 122.35(18) . .
C14 C13 C12 121.77(19) 2_757 .
C15 C14 C13 117.76(18) . 2_757
C14 C15 C16 115.11(17) . 2_757
C14 C15 C22 136.07(17) . .
C16 C15 C22 108.77(17) 2_757 .
N4 C16 C15 129.24(17) . 2_757
N4 C16 C17 121.08(16) . .
C15 C16 C17 109.20(16) 2_757 .
N3 C17 C16 121.12(16) . .
N3 C17 C18 129.64(17) . 2_757
C16 C17 C18 108.75(16) . 2_757
C19 C18 C17 114.57(17) . 2_757
C19 C18 C22 136.55(18) . .
C17 C18 C22 108.84(16) 2_757 .
C20 C19 C18 117.87(18) 2_757 .
C19 C20 C21 122.20(19) 2_757 .
N3 C21 C20 121.93(18) . .
C15 C22 C18 103.77(15) . .
C15 C22 Ru1 112.81(13) . .
C18 C22 Ru1 111.64(13) . .
C27 C23 C24 108.18(17) . .
C27 C23 C28 126.97(19) . .
C24 C23 C28 124.82(19) . .
C27 C23 Ru1 70.85(11) . .
C24 C23 Ru1 70.74(11) . .
C28 C23 Ru1 125.89(13) . .
C25 C24 C23 107.06(17) . .
C25 C24 C29 126.55(19) . .
C23 C24 C29 125.96(19) . .
C25 C24 Ru1 71.52(11) . .
C23 C24 Ru1 70.07(10) . .
C29 C24 Ru1 129.40(14) . .
C26 C25 C24 109.11(17) . .
C26 C25 C30 125.0(2) . .
C24 C25 C30 125.8(2) . .
C26 C25 Ru1 70.06(10) . .
C24 C25 Ru1 69.98(10) . .
C30 C25 Ru1 129.48(14) . .
C25 C26 C27 107.00(17) . .
C25 C26 C31 127.2(2) . .
C27 C26 C31 125.3(2) . .
C25 C26 Ru1 71.49(11) . .
C27 C26 Ru1 70.19(10) . .
C31 C26 Ru1 129.56(14) . .
C23 C27 C26 108.60(17) . .
C23 C27 C32 127.29(19) . .
C26 C27 C32 124.04(19) . .
C23 C27 Ru1 70.63(11) . .
C26 C27 Ru1 70.76(10) . .
C32 C27 Ru1 126.96(13) . .
C37 C33 C34 106.92(17) . .
C37 C33 C38 125.68(19) . .
C34 C33 C38 126.7(2) . .
C37 C33 Ru2 71.06(10) . .
C34 C33 Ru2 70.33(11) . .
C38 C33 Ru2 130.85(14) . .
C35 C34 C33 108.59(17) . .
C35 C34 C39 125.9(2) . .
C33 C34 C39 125.4(2) . .
C35 C34 Ru2 70.84(11) . .
C33 C34 Ru2 70.66(11) . .
C39 C34 Ru2 127.64(15) . .
C34 C35 C36 107.92(17) . .
C34 C35 C40 126.7(2) . .
C36 C35 C40 125.3(2) . .
C34 C35 Ru2 70.46(11) . .
C36 C35 Ru2 70.70(11) . .
C40 C35 Ru2 125.55(14) . .
C37 C36 C35 107.49(18) . .
C37 C36 C41 125.18(19) . .
C35 C36 C41 126.80(19) . .
C37 C36 Ru2 71.01(11) . .
C35 C36 Ru2 70.33(11) . .
C41 C36 Ru2 130.51(14) . .
C36 C37 C33 109.06(17) . .
C36 C37 C42 123.89(19) . .
C33 C37 C42 126.65(19) . .
C36 C37 Ru2 70.55(10) . .
C33 C37 Ru2 70.18(10) . .
C42 C37 Ru2 131.06(14) . .
C44 C43 C48 120.0(3) . .
C43 C44 C45 120.6(3) . .
C44 C45 C46 119.3(4) . .
C47 C46 C45 119.8(3) . .
C46 C47 C48 119.6(3) . .
C43 C48 C47 120.7(3) . .
C50 C49 C54 120.0 . .
C51 C50 C49 120.0 . .
C52 C51 C50 120.0 . .
C51 C52 C53 120.0 . .
C52 C53 C54 120.0 . .
C53 C54 C49 120.0 . .
C50B C49B C54B 120.0 . .
C51B C50B C49B 120.0 . .
C52B C51B C50B 120.0 . .
C53B C52B C51B 120.0 . .
C52B C53B C54B 120.0 . .
C53B C54B C49B 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C23 2.1510(18) .
Ru1 C27 2.1538(18) .
Ru1 C24 2.1600(18) .
Ru1 C26 2.1614(18) .
Ru1 N1 2.1683(15) .
Ru1 N2 2.1801(15) .
Ru1 C25 2.1804(18) .
Ru1 C22 2.2739(19) .
Ru2 C34 2.1528(19) .
Ru2 C33 2.1571(18) .
Ru2 C35 2.1577(19) .
Ru2 C36 2.1628(19) .
Ru2 C37 2.1688(18) .
Ru2 N4 2.1741(15) .
Ru2 N3 2.1825(15) .
Ru2 C11 2.2626(18) .
N1 C5 1.340(2) .
N1 C1 1.345(2) .
N2 C6 1.342(2) .
N2 C10 1.346(2) .
N3 C17 1.340(2) .
N3 C21 1.349(2) .
N4 C16 1.343(2) .
N4 C12 1.348(2) .
C1 C2 1.394(3) .
C2 C3 1.395(3) .
C3 C4 1.399(3) .
C4 C5 1.406(2) .
C4 C11 1.481(2) .
C5 C6 1.402(2) .
C6 C7 1.404(2) .
C7 C8 1.399(3) .
C7 C11 1.483(2) .
C8 C9 1.395(3) .
C9 C10 1.396(3) .
C12 C13 1.399(3) .
C13 C14 1.394(3) 2_757
C14 C15 1.391(3) .
C14 C13 1.394(3) 2_757
C15 C16 1.407(2) 2_757
C15 C22 1.476(3) .
C16 C15 1.407(2) 2_757
C16 C17 1.407(3) .
C17 C18 1.410(2) 2_757
C18 C19 1.393(3) .
C18 C17 1.410(2) 2_757
C18 C22 1.477(3) .
C19 C20 1.389(3) 2_757
C20 C19 1.389(3) 2_757
C20 C21 1.400(3) .
C23 C27 1.420(3) .
C23 C24 1.446(3) .
C23 C28 1.505(3) .
C24 C25 1.431(3) .
C24 C29 1.499(3) .
C25 C26 1.430(3) .
C25 C30 1.497(3) .
C26 C27 1.442(3) .
C26 C31 1.497(3) .
C27 C32 1.498(3) .
C33 C37 1.435(3) .
C33 C34 1.439(3) .
C33 C38 1.502(3) .
C34 C35 1.428(3) .
C34 C39 1.497(3) .
C35 C36 1.441(3) .
C35 C40 1.501(3) .
C36 C37 1.426(3) .
C36 C41 1.499(3) .
C37 C42 1.496(3) .
C43 C44 1.349(4) .
C43 C48 1.358(4) .
C44 C45 1.370(5) .
C45 C46 1.380(5) .
C46 C47 1.365(6) .
C47 C48 1.365(5) .
C49 C50 1.3900 .
C49 C54 1.3900 .
C50 C51 1.3900 .
C51 C52 1.3900 .
C52 C53 1.3900 .
C53 C54 1.3900 .
C49B C50B 1.3900 .
C49B C54B 1.3900 .
C50B C51B 1.3900 .
C51B C52B 1.3900 .
C52B C53B 1.3900 .
C53B C54B 1.3900 .
