# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2012


#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
# 
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material 
#  of the CCDC or of third parties, and may not be copied or further 
#  disseminated in any form, whether machine-readable or not,  
#  except for the purpose of generating routine backup copies 
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and 
#  data retrieval see:
#                         www.ccdc.cam.ac.uk 
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively. 
#
####################################################################### 

data_k1224
_database_code_depnum_ccdc_archive 'CCDC 910526'
#TrackingRef 'k1224.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C44 H48 Cl N6 O2 Ru2, C2 H6 O'
_chemical_formula_sum            'C46 H54 Cl N6 O3 Ru2'
_chemical_formula_weight         976.54

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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pnma

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   15.1363(8)
_cell_length_b                   14.0416(7)
_cell_length_c                   20.7216(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4404.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    8016
_cell_measurement_theta_min      1.67
_cell_measurement_theta_max      25.07

_exptl_crystal_description       'flat column'
_exptl_crystal_colour            'Dark blue-green'
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2004
_exptl_absorpt_coefficient_mu    0.793
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.7444
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'SHELXL v6.12'

_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       CCD
_diffrn_detector_area_resol_mean 4K
_diffrn_standards_decay_%        0.0
_diffrn_reflns_number            22652
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_av_sigmaI/netI    0.0251
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.67
_diffrn_reflns_theta_max         25.07
_reflns_number_total             4366
_reflns_number_gt                2995
_reflns_threshold_expression     >4sigma(I)

_computing_data_collection       'APEX2 v1.0-27 (Bruker-Nonius, 2005)'
_computing_cell_refinement       'SAINT v7.12A (Bruker-Nonius, 2004)'
_computing_data_reduction        'SAINT v7.12A (Bruker-Nonius, 2004)'
_computing_structure_solution    'SHELXS v6.12 (G.M. Sheldrick, 2001)'
_computing_structure_refinement  'SHELXL v6.12 (G.M. Sheldrick, 2001)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 4sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0469P)^2^+3.5544P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    noref
_refine_ls_extinction_method     none
_refine_ls_number_reflns         4070
_refine_ls_number_parameters     301
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0494
_refine_ls_R_factor_gt           0.0307
_refine_ls_wR_factor_ref         0.0948
_refine_ls_wR_factor_gt          0.0806
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.35300(3) 0.2500 0.584050(19) 0.03653(13) Uani 1 2 d S . .
Ru2 Ru 0.22343(3) 0.2500 0.641262(18) 0.03490(13) Uani 1 2 d S . .
Cl Cl 0.49010(9) 0.2500 0.51918(7) 0.0561(4) Uani 1 2 d S . .
O1 O 0.4259(2) 0.2500 0.66882(18) 0.0482(9) Uani 1 2 d S . .
O2 O 0.2988(3) 0.2500 0.72411(15) 0.0449(9) Uani 1 2 d S . .
N1 N 0.35610(19) 0.3996(2) 0.59473(13) 0.0403(7) Uani 1 1 d . . .
N2 N 0.21797(19) 0.39430(19) 0.64310(13) 0.0388(7) Uani 1 1 d . . .
N3 N 0.1489(3) 0.2500 0.56080(19) 0.0359(9) Uani 1 2 d S . .
N4 N 0.2774(3) 0.2500 0.49972(18) 0.0353(9) Uani 1 2 d S . .
C1 C 0.4303(3) 0.4499(3) 0.57920(18) 0.0519(10) Uani 1 1 d . . .
H1 H 0.4790 0.4165 0.5625 0.062 Uiso 1 1 calc R . .
C2 C 0.4373(3) 0.5463(3) 0.5868(2) 0.0614(11) Uani 1 1 d . . .
H2 H 0.4890 0.5787 0.5745 0.074 Uiso 1 1 calc R . .
C3 C 0.3661(3) 0.5951(3) 0.6130(2) 0.0656(12) Uani 1 1 d . . .
H3 H 0.3690 0.6616 0.6180 0.079 Uiso 1 1 calc R . .
C4 C 0.2923(3) 0.5472(3) 0.63151(19) 0.0553(10) Uani 1 1 d . . .
H4 H 0.2445 0.5804 0.6498 0.066 Uiso 1 1 calc R . .
C5 C 0.2875(2) 0.4469(3) 0.62306(16) 0.0420(8) Uani 1 1 d . . .
C6 C 0.1356(2) 0.4402(2) 0.65856(17) 0.0405(8) Uani 1 1 d . . .
C7 C 0.0861(3) 0.4853(3) 0.61047(18) 0.0480(9) Uani 1 1 d . . .
C8 C 0.0044(3) 0.5238(3) 0.6262(2) 0.0552(10) Uani 1 1 d . . .
H8 H -0.0287 0.5537 0.5935 0.066 Uiso 1 1 calc R . .
C9 C -0.0302(3) 0.5200(3) 0.6877(2) 0.0548(10) Uani 1 1 d . . .
C10 C 0.0205(3) 0.4771(3) 0.73458(19) 0.0547(10) Uani 1 1 d . . .
H10 H -0.0013 0.4746 0.7770 0.066 Uiso 1 1 calc R . .
C11 C 0.1023(3) 0.4373(2) 0.72168(17) 0.0467(9) Uani 1 1 d . . .
C12 C 0.1184(3) 0.4937(3) 0.54187(18) 0.0624(12) Uani 1 1 d . . .
H12A H 0.1730 0.5298 0.5410 0.094 Uiso 1 1 calc R . .
H12B H 0.0741 0.5261 0.5161 0.094 Uiso 1 1 calc R . .
H12C H 0.1287 0.4306 0.5244 0.094 Uiso 1 1 calc R . .
C13 C -0.1193(3) 0.5632(4) 0.7030(2) 0.0834(15) Uani 1 1 d . . .
H13A H -0.1550 0.5171 0.7262 0.125 Uiso 1 1 calc R . .
H13B H -0.1489 0.5805 0.6632 0.125 Uiso 1 1 calc R . .
H13C H -0.1113 0.6195 0.7294 0.125 Uiso 1 1 calc R . .
C14 C 0.1536(3) 0.3930(3) 0.7763(2) 0.0680(13) Uani 1 1 d . . .
H14A H 0.1257 0.4091 0.8170 0.102 Uiso 1 1 calc R . .
H14B H 0.2137 0.4170 0.7759 0.102 Uiso 1 1 calc R . .
H14C H 0.1543 0.3244 0.7711 0.102 Uiso 1 1 calc R . .
C15 C 0.0589(3) 0.2500 0.5641(3) 0.0464(13) Uani 1 2 d S . .
H15 H 0.0327 0.2500 0.6052 0.056 Uiso 1 2 calc SR . .
C16 C 0.0054(4) 0.2500 0.5128(3) 0.0544(14) Uani 1 2 d S . .
H16 H -0.0563 0.2500 0.5177 0.065 Uiso 1 2 calc SR . .
C17 C 0.0448(4) 0.2500 0.4512(3) 0.0492(13) Uani 1 2 d S . .
H17 H 0.0091 0.2500 0.4141 0.059 Uiso 1 2 calc SR . .
C18 C 0.1337(3) 0.2500 0.4453(3) 0.0434(12) Uani 1 2 d S . .
H18 H 0.1596 0.2500 0.4040 0.052 Uiso 1 2 calc SR . .
C19 C 0.1885(3) 0.2500 0.5014(2) 0.0332(10) Uani 1 2 d S . .
C20 C 0.3154(3) 0.2500 0.4352(2) 0.0367(11) Uani 1 2 d S . .
C21 C 0.3302(2) 0.3364(2) 0.40350(16) 0.0400(8) Uani 1 1 d . . .
C22 C 0.3617(3) 0.3344(3) 0.34091(18) 0.0490(9) Uani 1 1 d . . .
H22 H 0.3721 0.3924 0.3196 0.059 Uiso 1 1 calc R . .
C23 C 0.3786(4) 0.2500 0.3083(3) 0.0559(15) Uani 1 2 d S . .
C24 C 0.3090(3) 0.4304(3) 0.43396(18) 0.0512(10) Uani 1 1 d . . .
H24A H 0.3331 0.4814 0.4077 0.077 Uiso 1 1 calc R . .
H24B H 0.3347 0.4330 0.4768 0.077 Uiso 1 1 calc R . .
H24C H 0.2454 0.4376 0.4371 0.077 Uiso 1 1 calc R . .
C25 C 0.4117(6) 0.2500 0.2394(3) 0.084(2) Uani 1 2 d S . .
H25A H 0.4093 0.1858 0.2222 0.126 Uiso 0.50 1 calc PR . .
H25B H 0.4722 0.2728 0.2383 0.126 Uiso 0.50 1 calc PR . .
H25C H 0.3748 0.2915 0.2134 0.126 Uiso 0.50 1 calc PR . .
C26 C 0.3834(4) 0.2500 0.7213(3) 0.0440(12) Uani 1 2 d S . .
C27 C 0.4321(4) 0.2500 0.7836(3) 0.0571(15) Uani 1 2 d S . .
H27A H 0.4929 0.2310 0.7762 0.086 Uiso 0.50 1 calc PR . .
H27B H 0.4043 0.2055 0.8131 0.086 Uiso 0.50 1 calc PR . .
H27C H 0.4308 0.3134 0.8021 0.086 Uiso 0.50 1 calc PR . .
O3 O 0.6910(16) 0.1656(16) 0.5373(11) 0.128(6) Uiso 0.22 1 d PG A -1
H3A H 0.6420 0.1945 0.5331 0.191 Uiso 0.22 1 d PG A -1
C28 C 0.744(2) 0.2131(19) 0.5853(14) 0.128(6) Uiso 0.22 1 d PG A -1
H28A H 0.8001 0.1795 0.5906 0.153 Uiso 0.22 1 d PG A -1
H28B H 0.7129 0.2124 0.6268 0.153 Uiso 0.22 1 d PG A -1
C29 C 0.761(3) 0.315(2) 0.5649(17) 0.128(6) Uiso 0.22 1 d PG A -1
H29A H 0.7967 0.3469 0.5975 0.191 Uiso 0.22 1 d PG A -1
H29B H 0.7054 0.3487 0.5602 0.191 Uiso 0.22 1 d PG A -1
H29C H 0.7924 0.3159 0.5240 0.191 Uiso 0.22 1 d PG A -1
O3' O 0.660(2) 0.209(2) 0.5987(15) 0.120(10) Uiso 0.14 1 d PG B -2
H3B H 0.6213 0.1853 0.5740 0.180 Uiso 0.14 1 d PG B -2
C28' C 0.743(2) 0.216(5) 0.564(2) 0.120(10) Uiso 0.14 1 d PG B -2
H28C H 0.7620 0.1525 0.5504 0.144 Uiso 0.14 1 d PG B -2
H28D H 0.7884 0.2423 0.5927 0.144 Uiso 0.14 1 d PG B -2
C29' C 0.732(4) 0.280(4) 0.506(2) 0.120(10) Uiso 0.14 1 d PG B -2
H29D H 0.7874 0.2845 0.4827 0.180 Uiso 0.14 1 d PG B -2
H29E H 0.7134 0.3430 0.5195 0.180 Uiso 0.14 1 d PG B -2
H29F H 0.6871 0.2534 0.4773 0.180 Uiso 0.28 2 d SPG B -2
O3" O 0.735(3) 0.299(4) 0.550(2) 0.124(10) Uiso 0.14 1 d PG C -3
H3C H 0.7014 0.2944 0.5830 0.187 Uiso 0.14 1 d PG C -3
C28" C 0.738(5) 0.209(3) 0.517(3) 0.124(10) Uiso 0.14 1 d PG C -3
H28E H 0.6780 0.1914 0.5031 0.149 Uiso 0.14 1 d PG C -3
H28F H 0.7597 0.1595 0.5460 0.149 Uiso 0.14 1 d PG C -3
C29" C 0.798(3) 0.216(3) 0.4583(17) 0.124(10) Uiso 0.14 1 d PG C -3
H29G H 0.7992 0.1557 0.4360 0.187 Uiso 0.14 1 d PG C -3
H29H H 0.8570 0.2333 0.4721 0.187 Uiso 0.14 1 d PG C -3
H29I H 0.7754 0.2652 0.4294 0.187 Uiso 0.14 1 d PG C -3

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.0406(2) 0.0353(2) 0.0337(2) 0.000 -0.00246(17) 0.000
Ru2 0.0457(3) 0.0301(2) 0.0289(2) 0.000 -0.00047(17) 0.000
Cl 0.0435(8) 0.0625(9) 0.0621(9) 0.000 0.0061(6) 0.000
O1 0.049(2) 0.050(2) 0.046(2) 0.000 -0.0133(18) 0.000
O2 0.063(3) 0.0413(19) 0.0304(18) 0.000 -0.0064(17) 0.000
N1 0.0482(18) 0.0355(16) 0.0373(17) 0.0017(13) -0.0027(13) -0.0054(13)
N2 0.0512(18) 0.0280(14) 0.0373(16) -0.0027(12) 0.0005(13) 0.0002(13)
N3 0.039(2) 0.037(2) 0.032(2) 0.000 -0.0009(17) 0.000
N4 0.041(2) 0.034(2) 0.031(2) 0.000 -0.0004(17) 0.000
C1 0.054(2) 0.055(2) 0.047(2) 0.0005(18) -0.0030(18) -0.0122(19)
C2 0.071(3) 0.054(2) 0.059(3) 0.002(2) -0.004(2) -0.024(2)
C3 0.089(3) 0.041(2) 0.067(3) 0.001(2) -0.004(3) -0.017(2)
C4 0.071(3) 0.036(2) 0.059(3) -0.0019(18) -0.004(2) -0.0043(19)
C5 0.055(2) 0.0355(18) 0.0356(19) 0.0000(15) -0.0040(17) -0.0040(16)
C6 0.055(2) 0.0287(17) 0.0381(19) -0.0047(15) 0.0008(16) -0.0019(15)
C7 0.063(3) 0.042(2) 0.038(2) -0.0037(17) -0.0003(18) 0.0067(18)
C8 0.064(3) 0.052(2) 0.049(2) -0.0050(19) -0.0043(19) 0.016(2)
C9 0.057(3) 0.055(2) 0.052(3) -0.011(2) 0.006(2) 0.0029(19)
C10 0.070(3) 0.052(2) 0.042(2) -0.0067(18) 0.013(2) -0.004(2)
C11 0.065(3) 0.0359(19) 0.039(2) -0.0038(16) 0.0009(18) -0.0020(18)
C12 0.080(3) 0.066(3) 0.041(2) 0.007(2) 0.004(2) 0.026(2)
C13 0.065(3) 0.110(4) 0.075(3) -0.007(3) 0.012(3) 0.020(3)
C14 0.094(4) 0.064(3) 0.045(2) 0.004(2) 0.005(2) 0.017(2)
C15 0.043(3) 0.059(3) 0.037(3) 0.000 0.004(2) 0.000
C16 0.037(3) 0.073(4) 0.053(4) 0.000 -0.001(3) 0.000
C17 0.047(3) 0.059(3) 0.042(3) 0.000 -0.011(2) 0.000
C18 0.046(3) 0.046(3) 0.038(3) 0.000 -0.004(2) 0.000
C19 0.040(3) 0.032(2) 0.028(2) 0.000 -0.001(2) 0.000
C20 0.040(3) 0.042(3) 0.028(2) 0.000 0.002(2) 0.000
C21 0.044(2) 0.040(2) 0.0357(19) 0.0003(15) 0.0020(15) -0.0014(16)
C22 0.065(3) 0.040(2) 0.042(2) 0.0052(17) 0.0112(18) -0.0032(18)
C23 0.073(4) 0.053(3) 0.042(3) 0.000 0.014(3) 0.000
C24 0.075(3) 0.039(2) 0.040(2) 0.0037(16) 0.0056(19) 0.0003(19)
C25 0.133(7) 0.071(4) 0.049(4) 0.000 0.042(4) 0.000
C26 0.061(4) 0.032(3) 0.039(3) 0.000 -0.015(3) 0.000
C27 0.072(4) 0.052(3) 0.048(3) 0.000 -0.019(3) 0.000

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 2.075(3) . ?
Ru1 N4 2.089(4) . ?
Ru1 N1 2.113(3) . ?
Ru1 N1 2.113(3) 7_565 ?
Ru1 Ru2 2.2917(6) . ?
Ru1 Cl 2.4726(14) . ?
Ru2 N3 2.013(4) . ?
Ru2 N2 2.028(3) 7_565 ?
Ru2 N2 2.028(3) . ?
Ru2 O2 2.061(3) . ?
O1 C26 1.263(6) . ?
O2 C26 1.283(7) . ?
N1 C5 1.365(4) . ?
N1 C1 1.365(5) . ?
N2 C5 1.351(4) . ?
N2 C6 1.440(4) . ?
N3 C15 1.363(6) . ?
N3 C19 1.369(6) . ?
N4 C19 1.346(6) . ?
N4 C20 1.456(6) . ?
C1 C2 1.367(6) . ?
C2 C3 1.389(6) . ?
C3 C4 1.360(6) . ?
C4 C5 1.422(5) . ?
C6 C7 1.398(5) . ?
C6 C11 1.402(5) . ?
C7 C8 1.389(5) . ?
C7 C12 1.508(5) . ?
C8 C9 1.379(5) . ?
C9 C10 1.377(6) . ?
C9 C13 1.513(6) . ?
C10 C11 1.385(5) . ?
C11 C14 1.506(5) . ?
C15 C16 1.335(7) . ?
C16 C17 1.409(8) . ?
C17 C18 1.350(7) . ?
C18 C19 1.429(7) . ?
C20 C21 1.398(4) . ?
C20 C21 1.398(4) 7_565 ?
C21 C22 1.382(5) . ?
C21 C24 1.497(5) . ?
C22 C23 1.388(4) . ?
C23 C22 1.388(4) 7_565 ?
C23 C25 1.513(8) . ?
C26 C27 1.486(7) . ?
O3 C28 1.4402 . ?
C28 C29 1.5201 . ?
O3' C28' 1.4399 . ?
C28' C29' 1.5202 . ?
O3" C28" 1.4400 . ?
C28" C29" 1.5197 . ?

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 N4 178.92(15) . . ?
O1 Ru1 N1 84.23(8) . . ?
N4 Ru1 N1 95.73(8) . . ?
O1 Ru1 N1 84.23(8) . 7_565 ?
N4 Ru1 N1 95.72(8) . 7_565 ?
N1 Ru1 N1 167.71(15) . 7_565 ?
O1 Ru1 Ru2 90.99(11) . . ?
N4 Ru1 Ru2 87.93(11) . . ?
N1 Ru1 Ru2 87.99(8) . . ?
N1 Ru1 Ru2 87.99(8) 7_565 . ?
O1 Ru1 Cl 90.79(11) . . ?
N4 Ru1 Cl 90.29(11) . . ?
N1 Ru1 Cl 92.19(8) . . ?
N1 Ru1 Cl 92.19(8) 7_565 . ?
Ru2 Ru1 Cl 178.22(4) . . ?
N3 Ru2 N2 89.58(8) . 7_565 ?
N3 Ru2 N2 89.59(8) . . ?
N2 Ru2 N2 174.86(16) 7_565 . ?
N3 Ru2 O2 179.50(15) . . ?
N2 Ru2 O2 90.40(8) 7_565 . ?
N2 Ru2 O2 90.39(8) . . ?
N3 Ru2 Ru1 92.95(11) . . ?
N2 Ru2 Ru1 92.55(8) 7_565 . ?
N2 Ru2 Ru1 92.55(8) . . ?
O2 Ru2 Ru1 87.56(11) . . ?
C26 O1 Ru1 117.2(3) . . ?
C26 O2 Ru2 121.0(3) . . ?
C5 N1 C1 118.4(3) . . ?
C5 N1 Ru1 120.8(2) . . ?
C1 N1 Ru1 120.5(3) . . ?
C5 N2 C6 119.9(3) . . ?
C5 N2 Ru2 120.6(2) . . ?
C6 N2 Ru2 119.1(2) . . ?
C15 N3 C19 118.8(4) . . ?
C15 N3 Ru2 121.2(3) . . ?
C19 N3 Ru2 119.9(3) . . ?
C19 N4 C20 114.7(4) . . ?
C19 N4 Ru1 121.7(3) . . ?
C20 N4 Ru1 123.5(3) . . ?
N1 C1 C2 123.3(4) . . ?
C1 C2 C3 118.3(4) . . ?
C4 C3 C2 120.2(4) . . ?
C3 C4 C5 119.9(4) . . ?
N2 C5 N1 117.3(3) . . ?
N2 C5 C4 122.9(4) . . ?
N1 C5 C4 119.7(3) . . ?
C7 C6 C11 119.1(3) . . ?
C7 C6 N2 120.5(3) . . ?
C11 C6 N2 120.4(3) . . ?
C8 C7 C6 119.1(4) . . ?
C8 C7 C12 118.6(4) . . ?
C6 C7 C12 122.3(4) . . ?
C9 C8 C7 122.6(4) . . ?
C10 C9 C8 117.3(4) . . ?
C10 C9 C13 121.6(4) . . ?
C8 C9 C13 121.1(4) . . ?
C9 C10 C11 122.6(4) . . ?
C10 C11 C6 119.3(4) . . ?
C10 C11 C14 118.8(4) . . ?
C6 C11 C14 121.9(4) . . ?
C16 C15 N3 124.4(5) . . ?
C15 C16 C17 117.7(5) . . ?
C18 C17 C16 120.3(5) . . ?
C17 C18 C19 120.2(5) . . ?
N4 C19 N3 117.5(4) . . ?
N4 C19 C18 124.0(4) . . ?
N3 C19 C18 118.5(4) . . ?
C21 C20 C21 120.5(4) . 7_565 ?
C21 C20 N4 119.7(2) . . ?
C21 C20 N4 119.6(2) 7_565 . ?
C22 C21 C20 118.5(3) . . ?
C22 C21 C24 119.2(3) . . ?
C20 C21 C24 122.2(3) . . ?
C21 C22 C23 122.6(4) . . ?
C22 C23 C22 117.2(5) . 7_565 ?
C22 C23 C25 121.4(2) . . ?
C22 C23 C25 121.4(2) 7_565 . ?
O1 C26 O2 123.2(5) . . ?
O1 C26 C27 119.7(5) . . ?
O2 C26 C27 117.1(5) . . ?
O3 C28 C29 110.0 . . ?
O3' C28' C29' 110.0 . . ?
O3" C28" C29" 110.0 . . ?

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
_geom_torsion_publ_flag
O1 Ru1 Ru2 N3 180.0 . . . . ?
N4 Ru1 Ru2 N3 0.0 . . . . ?
N1 Ru1 Ru2 N3 95.81(8) . . . . ?
N1 Ru1 Ru2 N3 -95.81(8) 7_565 . . . ?
Cl Ru1 Ru2 N3 0.000(2) . . . . ?
O1 Ru1 Ru2 N2 -90.29(8) . . . 7_565 ?
N4 Ru1 Ru2 N2 89.71(8) . . . 7_565 ?
N1 Ru1 Ru2 N2 -174.48(11) . . . 7_565 ?
N1 Ru1 Ru2 N2 -6.09(11) 7_565 . . 7_565 ?
Cl Ru1 Ru2 N2 89.71(8) . . . 7_565 ?
O1 Ru1 Ru2 N2 90.28(8) . . . . ?
N4 Ru1 Ru2 N2 -89.72(8) . . . . ?
N1 Ru1 Ru2 N2 6.09(11) . . . . ?
N1 Ru1 Ru2 N2 174.48(11) 7_565 . . . ?
Cl Ru1 Ru2 N2 -89.72(8) . . . . ?
O1 Ru1 Ru2 O2 0.0 . . . . ?
N4 Ru1 Ru2 O2 180.0 . . . . ?
N1 Ru1 Ru2 O2 -84.19(8) . . . . ?
N1 Ru1 Ru2 O2 84.19(8) 7_565 . . . ?
Cl Ru1 Ru2 O2 180.000(2) . . . . ?
N4 Ru1 O1 C26 0.00(2) . . . . ?
N1 Ru1 O1 C26 87.87(8) . . . . ?
N1 Ru1 O1 C26 -87.88(8) 7_565 . . . ?
Ru2 Ru1 O1 C26 0.000(1) . . . . ?
Cl Ru1 O1 C26 180.000(1) . . . . ?
N3 Ru2 O2 C26 180.00(6) . . . . ?
N2 Ru2 O2 C26 92.54(8) 7_565 . . . ?
N2 Ru2 O2 C26 -92.54(8) . . . . ?
Ru1 Ru2 O2 C26 0.000(1) . . . . ?
O1 Ru1 N1 C5 -96.2(3) . . . . ?
N4 Ru1 N1 C5 82.7(3) . . . . ?
N1 Ru1 N1 C5 -75.9(8) 7_565 . . . ?
Ru2 Ru1 N1 C5 -5.0(2) . . . . ?
Cl Ru1 N1 C5 173.2(2) . . . . ?
O1 Ru1 N1 C1 77.4(3) . . . . ?
N4 Ru1 N1 C1 -103.7(3) . . . . ?
N1 Ru1 N1 C1 97.7(8) 7_565 . . . ?
Ru2 Ru1 N1 C1 168.6(3) . . . . ?
Cl Ru1 N1 C1 -13.2(3) . . . . ?
N3 Ru2 N2 C5 -102.5(3) . . . . ?
N2 Ru2 N2 C5 176.9(16) 7_565 . . . ?
O2 Ru2 N2 C5 78.0(3) . . . . ?
Ru1 Ru2 N2 C5 -9.5(2) . . . . ?
N3 Ru2 N2 C6 70.1(3) . . . . ?
N2 Ru2 N2 C6 -10.6(19) 7_565 . . . ?
O2 Ru2 N2 C6 -109.4(3) . . . . ?
Ru1 Ru2 N2 C6 163.0(2) . . . . ?
N2 Ru2 N3 C15 87.46(8) 7_565 . . . ?
N2 Ru2 N3 C15 -87.46(8) . . . . ?
O2 Ru2 N3 C15 0.00(5) . . . . ?
Ru1 Ru2 N3 C15 180.0 . . . . ?
N2 Ru2 N3 C19 -92.54(8) 7_565 . . . ?
N2 Ru2 N3 C19 92.54(8) . . . . ?
O2 Ru2 N3 C19 180.00(5) . . . . ?
Ru1 Ru2 N3 C19 0.0 . . . . ?
O1 Ru1 N4 C19 0.000(18) . . . . ?
N1 Ru1 N4 C19 -87.77(8) . . . . ?
N1 Ru1 N4 C19 87.77(8) 7_565 . . . ?
Ru2 Ru1 N4 C19 0.0 . . . . ?
Cl Ru1 N4 C19 180.0 . . . . ?
O1 Ru1 N4 C20 180.000(17) . . . . ?
N1 Ru1 N4 C20 92.23(8) . . . . ?
N1 Ru1 N4 C20 -92.23(8) 7_565 . . . ?
Ru2 Ru1 N4 C20 180.0 . . . . ?
Cl Ru1 N4 C20 0.0 . . . . ?
C5 N1 C1 C2 -4.3(5) . . . . ?
Ru1 N1 C1 C2 -178.1(3) . . . . ?
N1 C1 C2 C3 1.6(6) . . . . ?
C1 C2 C3 C4 1.1(7) . . . . ?
C2 C3 C4 C5 -0.9(7) . . . . ?
C6 N2 C5 N1 -164.8(3) . . . . ?
Ru2 N2 C5 N1 7.6(4) . . . . ?
C6 N2 C5 C4 16.5(5) . . . . ?
Ru2 N2 C5 C4 -171.0(3) . . . . ?
C1 N1 C5 N2 -174.3(3) . . . . ?
Ru1 N1 C5 N2 -0.7(4) . . . . ?
C1 N1 C5 C4 4.3(5) . . . . ?
Ru1 N1 C5 C4 178.0(3) . . . . ?
C3 C4 C5 N2 176.8(4) . . . . ?
C3 C4 C5 N1 -1.8(6) . . . . ?
C5 N2 C6 C7 66.0(4) . . . . ?
Ru2 N2 C6 C7 -106.6(3) . . . . ?
C5 N2 C6 C11 -116.2(4) . . . . ?
Ru2 N2 C6 C11 71.3(4) . . . . ?
C11 C6 C7 C8 -1.8(5) . . . . ?
N2 C6 C7 C8 176.1(3) . . . . ?
C11 C6 C7 C12 178.3(4) . . . . ?
N2 C6 C7 C12 -3.8(5) . . . . ?
C6 C7 C8 C9 0.5(6) . . . . ?
C12 C7 C8 C9 -179.6(4) . . . . ?
C7 C8 C9 C10 0.9(6) . . . . ?
C7 C8 C9 C13 179.7(4) . . . . ?
C8 C9 C10 C11 -1.0(6) . . . . ?
C13 C9 C10 C11 -179.8(4) . . . . ?
C9 C10 C11 C6 -0.2(6) . . . . ?
C9 C10 C11 C14 179.2(4) . . . . ?
C7 C6 C11 C10 1.7(5) . . . . ?
N2 C6 C11 C10 -176.2(3) . . . . ?
C7 C6 C11 C14 -177.7(4) . . . . ?
N2 C6 C11 C14 4.4(5) . . . . ?
C19 N3 C15 C16 0.000(1) . . . . ?
Ru2 N3 C15 C16 180.0 . . . . ?
N3 C15 C16 C17 0.000(1) . . . . ?
C15 C16 C17 C18 0.000(1) . . . . ?
C16 C17 C18 C19 0.000(1) . . . . ?
C20 N4 C19 N3 180.0 . . . . ?
Ru1 N4 C19 N3 0.0 . . . . ?
C20 N4 C19 C18 0.000(1) . . . . ?
Ru1 N4 C19 C18 180.0 . . . . ?
C15 N3 C19 N4 180.0 . . . . ?
Ru2 N3 C19 N4 0.0 . . . . ?
C15 N3 C19 C18 0.000(1) . . . . ?
Ru2 N3 C19 C18 180.0 . . . . ?
C17 C18 C19 N4 180.0 . . . . ?
C17 C18 C19 N3 0.000(1) . . . . ?
C19 N4 C20 C21 87.5(4) . . . . ?
Ru1 N4 C20 C21 -92.5(4) . . . . ?
C19 N4 C20 C21 -87.5(4) . . . 7_565 ?
Ru1 N4 C20 C21 92.5(4) . . . 7_565 ?
C21 C20 C21 C22 -1.4(7) 7_565 . . . ?
N4 C20 C21 C22 -176.5(4) . . . . ?
C21 C20 C21 C24 175.5(3) 7_565 . . . ?
N4 C20 C21 C24 0.5(6) . . . . ?
C20 C21 C22 C23 0.4(7) . . . . ?
C24 C21 C22 C23 -176.6(4) . . . . ?
C21 C22 C23 C22 0.6(9) . . . 7_565 ?
C21 C22 C23 C25 179.0(6) . . . . ?
Ru1 O1 C26 O2 0.000(1) . . . . ?
Ru1 O1 C26 C27 180.000(1) . . . . ?
Ru2 O2 C26 O1 0.000(2) . . . . ?
Ru2 O2 C26 C27 180.000(1) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O3 H3A Cl 0.85 2.45 3.29(2) 170.0 .
O3' H3B Cl 0.85 2.46 3.11(3) 134.2 .

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.07
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.753
_refine_diff_density_min         -0.402
_refine_diff_density_rms         0.071