# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 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_2b

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C17 H16 Ag Cl N2'
_chemical_formula_weight         391.64

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'
Ag Ag -0.8971 1.1015 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.1352(9)
_cell_length_b                   10.0028(11)
_cell_length_c                   10.5175(11)
_cell_angle_alpha                88.1710(10)
_cell_angle_beta                 68.1080(10)
_cell_angle_gamma                85.0180(10)
_cell_volume                     791.14(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    4593
_cell_measurement_theta_min      2.707
_cell_measurement_theta_max      28.351

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             392
_exptl_absorpt_coefficient_mu    1.437
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.7524
_exptl_absorpt_correction_T_max  0.8465
_exptl_absorpt_process_details   
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1071 (selected reflections only, before parameter refinement)
 R(int) = 0.0324 (selected reflections only, after parameter refinement)
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8194
_diffrn_reflns_av_R_equivalents  0.0176
_diffrn_reflns_av_unetI/netI     0.0212
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.04
_diffrn_reflns_theta_max         26.00
_reflns_number_total             3092
_reflns_number_gt                2769
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1996)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0320P)²+0.4283P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3092
_refine_ls_number_parameters     190
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0320
_refine_ls_R_factor_gt           0.0270
_refine_ls_wR_factor_ref         0.0667
_refine_ls_wR_factor_gt          0.0640
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.000
_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
Ag1 Ag -0.48287(3) -0.31015(2) 0.43241(2) 0.04643(9) Uani 1 1 d . . .
C1 C -0.4139(3) -0.1856(2) 0.2602(3) 0.0343(5) Uani 1 1 d . . .
C2 C -0.3847(4) -0.0065(3) 0.1216(3) 0.0510(7) Uani 1 1 d . . .
H2 H -0.4021 0.0797 0.0907 0.061 Uiso 1 1 calc R . .
C3 C -0.2733(4) -0.1062(3) 0.0485(3) 0.0523(8) Uani 1 1 d . . .
H3 H -0.1969 -0.1024 -0.0427 0.063 Uiso 1 1 calc R . .
C4 C -0.6051(4) 0.0229(3) 0.3620(3) 0.0464(7) Uani 1 1 d . . .
H4A H -0.5588 0.1063 0.3723 0.056 Uiso 1 1 calc R . .
H4B H -0.6305 -0.0267 0.4471 0.056 Uiso 1 1 calc R . .
C5 C -0.7762(3) 0.0545(3) 0.3375(3) 0.0383(6) Uani 1 1 d . . .
C6 C -0.8500(4) 0.1850(3) 0.3458(4) 0.0523(8) Uani 1 1 d . . .
H6 H -0.7915 0.2544 0.3623 0.063 Uiso 1 1 calc R . .
C7 C -1.0110(4) 0.2131(3) 0.3298(4) 0.0565(8) Uani 1 1 d . . .
H7 H -1.0611 0.3011 0.3374 0.068 Uiso 1 1 calc R . .
C8 C -1.0961(4) 0.1130(3) 0.3032(3) 0.0521(7) Uani 1 1 d . . .
H8 H -1.2040 0.1325 0.2924 0.063 Uiso 1 1 calc R . .
C9 C -1.0231(4) -0.0165(3) 0.2924(3) 0.0546(8) Uani 1 1 d . . .
H9 H -1.0810 -0.0849 0.2735 0.066 Uiso 1 1 calc R . .
C10 C -0.8628(4) -0.0463(3) 0.3095(3) 0.0476(7) Uani 1 1 d . . .
H10 H -0.8138 -0.1345 0.3021 0.057 Uiso 1 1 calc R . .
C11 C -0.1942(4) -0.3474(3) 0.0942(3) 0.0440(6) Uani 1 1 d . . .
H11A H -0.1692 -0.3625 -0.0021 0.053 Uiso 1 1 calc R . .
H11B H -0.2684 -0.4164 0.1460 0.053 Uiso 1 1 calc R . .
C12 C -0.0213(4) -0.3612(2) 0.1178(3) 0.0394(6) Uani 1 1 d . . .
C13 C 0.1361(4) -0.3305(3) 0.0157(3) 0.0478(7) Uani 1 1 d . . .
H13 H 0.1354 -0.2966 -0.0675 0.057 Uiso 1 1 calc R . .
C14 C 0.2955(4) -0.3500(3) 0.0364(4) 0.0571(8) Uani 1 1 d . . .
H14 H 0.4009 -0.3297 -0.0332 0.069 Uiso 1 1 calc R . .
C15 C 0.2978(4) -0.3989(3) 0.1587(4) 0.0580(9) Uani 1 1 d . . .
H15 H 0.4046 -0.4123 0.1724 0.070 Uiso 1 1 calc R . .
C16 C 0.1410(5) -0.4280(3) 0.2613(4) 0.0620(9) Uani 1 1 d . . .
H16 H 0.1418 -0.4603 0.3450 0.074 Uiso 1 1 calc R . .
C17 C -0.0170(4) -0.4097(3) 0.2407(3) 0.0530(7) Uani 1 1 d . . .
H17 H -0.1220 -0.4303 0.3106 0.064 Uiso 1 1 calc R . .
Cl1 Cl -0.54291(11) -0.39622(8) 0.65576(8) 0.05331(19) Uani 1 1 d . . .
N1 N -0.4691(3) -0.0554(2) 0.2513(2) 0.0378(5) Uani 1 1 d . . .
N2 N -0.2934(3) -0.2155(2) 0.1340(2) 0.0370(5) Uani 1 1 d . . .


_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
Ag1 C1 2.089(3) . ?
Ag1 Cl1 2.3635(8) . ?
C1 N2 1.348(3) . ?
C1 N1 1.353(3) . ?
C2 C3 1.333(4) . ?
C2 N1 1.374(4) . ?
C2 H2 0.9300 . ?
C3 N2 1.375(4) . ?
C3 H3 0.9300 . ?
C4 N1 1.462(3) . ?
C4 C5 1.513(4) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C10 1.377(4) . ?
C5 C6 1.380(4) . ?
C6 C7 1.386(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.357(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.368(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.388(4) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 N2 1.471(3) . ?
C11 C12 1.511(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C17 1.378(4) . ?
C12 C13 1.381(4) . ?
C13 C14 1.389(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.368(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.377(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.377(4) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?

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
C1 Ag1 Cl1 163.33(7) . . ?
N2 C1 N1 104.2(2) . . ?
N2 C1 Ag1 127.10(18) . . ?
N1 C1 Ag1 128.51(19) . . ?
C3 C2 N1 107.1(2) . . ?
C3 C2 H2 126.5 . . ?
N1 C2 H2 126.5 . . ?
C2 C3 N2 106.7(3) . . ?
C2 C3 H3 126.7 . . ?
N2 C3 H3 126.7 . . ?
N1 C4 C5 113.2(2) . . ?
N1 C4 H4A 108.9 . . ?
C5 C4 H4A 108.9 . . ?
N1 C4 H4B 108.9 . . ?
C5 C4 H4B 108.9 . . ?
H4A C4 H4B 107.8 . . ?
C10 C5 C6 118.9(3) . . ?
C10 C5 C4 120.8(2) . . ?
C6 C5 C4 120.3(2) . . ?
C5 C6 C7 120.3(3) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
C8 C7 C6 120.5(3) . . ?
C8 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
C7 C8 C9 119.9(3) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C8 C9 C10 120.3(3) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C5 C10 C9 120.2(3) . . ?
C5 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
N2 C11 C12 113.6(2) . . ?
N2 C11 H11A 108.8 . . ?
C12 C11 H11A 108.8 . . ?
N2 C11 H11B 108.8 . . ?
C12 C11 H11B 108.8 . . ?
H11A C11 H11B 107.7 . . ?
C17 C12 C13 118.6(3) . . ?
C17 C12 C11 120.2(3) . . ?
C13 C12 C11 121.1(3) . . ?
C12 C13 C14 120.5(3) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C15 C14 C13 120.2(3) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C14 C15 C16 119.5(3) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
C15 C16 C17 120.4(3) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C16 C17 C12 120.7(3) . . ?
C16 C17 H17 119.6 . . ?
C12 C17 H17 119.6 . . ?
C1 N1 C2 110.8(2) . . ?
C1 N1 C4 125.3(2) . . ?
C2 N1 C4 123.9(2) . . ?
C1 N2 C3 111.2(2) . . ?
C1 N2 C11 124.2(2) . . ?
C3 N2 C11 124.6(2) . . ?

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
Cl1 Ag1 C1 N2 127.7(2) . . . . ?
Cl1 Ag1 C1 N1 -47.2(4) . . . . ?
N1 C2 C3 N2 1.1(3) . . . . ?
N1 C4 C5 C10 53.9(4) . . . . ?
N1 C4 C5 C6 -127.5(3) . . . . ?
C10 C5 C6 C7 1.7(5) . . . . ?
C4 C5 C6 C7 -176.9(3) . . . . ?
C5 C6 C7 C8 -1.3(5) . . . . ?
C6 C7 C8 C9 0.2(5) . . . . ?
C7 C8 C9 C10 0.5(5) . . . . ?
C6 C5 C10 C9 -1.0(5) . . . . ?
C4 C5 C10 C9 177.6(3) . . . . ?
C8 C9 C10 C5 -0.1(5) . . . . ?
N2 C11 C12 C17 90.6(3) . . . . ?
N2 C11 C12 C13 -91.8(3) . . . . ?
C17 C12 C13 C14 0.8(4) . . . . ?
C11 C12 C13 C14 -176.8(3) . . . . ?
C12 C13 C14 C15 -0.5(5) . . . . ?
C13 C14 C15 C16 -0.3(5) . . . . ?
C14 C15 C16 C17 0.8(5) . . . . ?
C15 C16 C17 C12 -0.4(5) . . . . ?
C13 C12 C17 C16 -0.4(4) . . . . ?
C11 C12 C17 C16 177.3(3) . . . . ?
N2 C1 N1 C2 0.4(3) . . . . ?
Ag1 C1 N1 C2 176.3(2) . . . . ?
N2 C1 N1 C4 178.1(2) . . . . ?
Ag1 C1 N1 C4 -6.1(4) . . . . ?
C3 C2 N1 C1 -0.9(3) . . . . ?
C3 C2 N1 C4 -178.6(3) . . . . ?
C5 C4 N1 C1 -109.2(3) . . . . ?
C5 C4 N1 C2 68.1(4) . . . . ?
N1 C1 N2 C3 0.3(3) . . . . ?
Ag1 C1 N2 C3 -175.66(19) . . . . ?
N1 C1 N2 C11 179.2(2) . . . . ?
Ag1 C1 N2 C11 3.2(4) . . . . ?
C2 C3 N2 C1 -0.9(3) . . . . ?
C2 C3 N2 C11 -179.7(3) . . . . ?
C12 C11 N2 C1 -89.3(3) . . . . ?
C12 C11 N2 C3 89.4(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.643
_refine_diff_density_min         -0.268
_refine_diff_density_rms         0.065
_database_code_depnum_ccdc_archive 'CCDC 1016378'
#######################################################################
#
#                 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_4a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H38 N2 O6 Ru'
_chemical_formula_weight         743.79

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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2/c

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

_cell_length_a                   16.2736(16)
_cell_length_b                   13.5024(13)
_cell_length_c                   17.6132(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 113.2960(10)
_cell_angle_gamma                90.00
_cell_volume                     3554.7(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    9195
_cell_measurement_theta_min      2.3415
_cell_measurement_theta_max      24.3655

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1536
_exptl_absorpt_coefficient_mu    0.490
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.9169
_exptl_absorpt_correction_T_max  0.9435
_exptl_absorpt_process_details   
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1041 (selected reflections only, before parameter refinement)
 R(int) = 0.0458 (selected reflections only, after parameter refinement)
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      295(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            34962
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_av_sigmaI/netI    0.0292
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.36
_diffrn_reflns_theta_max         25.66
_reflns_number_total             6723
_reflns_number_gt                5070
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1996)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. The following restraints
 were applied (given as SHELXL lines):  
 eqiv $1 -x, 1-y, 1-z
 dfix -2.11 .01 h18 h45A_$1
 dfix 1.43 .01 o41 c42 o41 c44
 dfix 1.53 .01 c42 c43 c44 c45
 dfix -2.3 c42 c44
 dfix -2.7 c42 c45 c43 c44
 dfix -3.3 c43 c45
 dfix -2.3 o41 c43 o41 c45
 simu .005 o41 > c45
 dfix 0.87 .01 o50 h50
 dfix 1.88 .01 o3 h50
 eqiv $1 1-x, y, 1.5-z
 dfix 1.5 .01 h50 h50_$1
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0751P)²+1.4075P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6723
_refine_ls_number_parameters     440
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0417
_refine_ls_wR_factor_ref         0.1284
_refine_ls_wR_factor_gt          0.1127
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.054
_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 0.265385(18) 0.70556(2) 0.860120(16) 0.04752(12) Uani 1 1 d . . .
N1 N 0.2999(3) 0.4854(3) 0.9206(2) 0.0739(10) Uani 1 1 d . . .
N2 N 0.3976(2) 0.5786(3) 1.0077(2) 0.0681(9) Uani 1 1 d . . .
O1 O 0.0807(2) 0.6533(3) 0.8496(2) 0.0971(11) Uani 1 1 d . . .
O2 O 0.2903(3) 0.8437(3) 1.0028(2) 0.1078(13) Uani 1 1 d . . .
O3 O 0.40666(16) 0.58033(18) 0.79404(16) 0.0587(6) Uani 1 1 d D . .
O4 O 0.3061(3) 1.2328(2) 0.7831(3) 0.1155(14) Uani 1 1 d . . .
O5 O -0.0971(2) 0.9214(3) 0.5077(3) 0.1216(15) Uani 1 1 d . . .
C1 C 0.1499(3) 0.6717(3) 0.8535(3) 0.0651(10) Uani 1 1 d . . .
C2 C 0.2806(3) 0.7899(3) 0.9497(3) 0.0694(11) Uani 1 1 d . . .
C3 C 0.3558(2) 0.6529(3) 0.7828(2) 0.0466(8) Uani 1 1 d . . .
C4 C 0.3781(2) 0.7503(3) 0.8226(2) 0.0454(7) Uani 1 1 d . . .
C5 C 0.3010(2) 0.8150(2) 0.7851(2) 0.0457(8) Uani 1 1 d . . .
C6 C 0.2277(2) 0.7566(3) 0.7315(2) 0.0461(8) Uani 1 1 d . . .
C7 C 0.2584(2) 0.6554(2) 0.7344(2) 0.0452(7) Uani 1 1 d . . .
C8 C 0.4699(2) 0.7855(2) 0.8725(2) 0.0494(8) Uani 1 1 d . . .
C9 C 0.5421(2) 0.7467(3) 0.8588(2) 0.0537(8) Uani 1 1 d . . .
H9 H 0.5330 0.6947 0.8218 0.064 Uiso 1 1 calc R . .
C10 C 0.6279(3) 0.7849(3) 0.8999(3) 0.0649(11) Uani 1 1 d . . .
H10 H 0.6753 0.7588 0.8895 0.078 Uiso 1 1 calc R . .
C11 C 0.6428(3) 0.8602(4) 0.9553(3) 0.0785(13) Uani 1 1 d . . .
H11 H 0.6998 0.8867 0.9817 0.094 Uiso 1 1 calc R . .
C12 C 0.5724(3) 0.8968(4) 0.9717(3) 0.0870(15) Uani 1 1 d . . .
H12 H 0.5826 0.9467 1.0108 0.104 Uiso 1 1 calc R . .
C13 C 0.4867(3) 0.8599(3) 0.9308(3) 0.0710(12) Uani 1 1 d . . .
H13 H 0.4399 0.8854 0.9425 0.085 Uiso 1 1 calc R . .
C14 C 0.2078(2) 0.5751(3) 0.6776(2) 0.0495(8) Uani 1 1 d . . .
C15 C 0.2485(3) 0.5198(3) 0.6368(2) 0.0637(10) Uani 1 1 d . . .
H15 H 0.3083 0.5314 0.6469 0.076 Uiso 1 1 calc R . .
C16 C 0.2016(4) 0.4468(4) 0.5807(3) 0.0830(14) Uani 1 1 d . . .
H16 H 0.2298 0.4105 0.5530 0.100 Uiso 1 1 calc R . .
C17 C 0.1131(4) 0.4282(4) 0.5661(3) 0.0876(15) Uani 1 1 d . . .
H17 H 0.0818 0.3789 0.5291 0.105 Uiso 1 1 calc R . .
C18 C 0.0722(3) 0.4822(4) 0.6058(3) 0.0784(13) Uani 1 1 d . . .
H18 H 0.0126 0.4698 0.5961 0.094 Uiso 1 1 calc RD . .
C19 C 0.1186(3) 0.5560(3) 0.6611(3) 0.0627(10) Uani 1 1 d . . .
H19 H 0.0895 0.5931 0.6874 0.075 Uiso 1 1 calc R . .
C20 C 0.3032(2) 0.9252(3) 0.7867(2) 0.0523(8) Uani 1 1 d . . .
C21 C 0.3540(3) 0.9722(3) 0.7517(3) 0.0668(11) Uani 1 1 d . . .
H21 H 0.3868 0.9347 0.7292 0.080 Uiso 1 1 calc R . .
C22 C 0.3577(3) 1.0769(3) 0.7491(3) 0.0789(13) Uani 1 1 d . . .
H22 H 0.3925 1.1085 0.7254 0.095 Uiso 1 1 calc R . .
C23 C 0.3082(3) 1.1310(3) 0.7827(3) 0.0769(13) Uani 1 1 d . . .
C24 C 0.2581(4) 1.0853(3) 0.8179(3) 0.0836(14) Uani 1 1 d . . .
H24 H 0.2255 1.1228 0.8406 0.100 Uiso 1 1 calc R . .
C25 C 0.2551(3) 0.9824(3) 0.8202(3) 0.0692(11) Uani 1 1 d . . .
H25 H 0.2205 0.9516 0.8445 0.083 Uiso 1 1 calc R . .
C26 C 0.3517(5) 1.2833(4) 0.7434(5) 0.137(3) Uani 1 1 d . . .
H26A H 0.3437 1.3533 0.7474 0.205 Uiso 1 1 calc R . .
H26B H 0.3288 1.2642 0.6863 0.205 Uiso 1 1 calc R . .
H26C H 0.4143 1.2676 0.7691 0.205 Uiso 1 1 calc R . .
C27 C 0.1411(2) 0.7972(3) 0.6717(2) 0.0520(9) Uani 1 1 d . . .
C28 C 0.0818(3) 0.8482(3) 0.6959(3) 0.0694(11) Uani 1 1 d . . .
H28 H 0.0945 0.8553 0.7520 0.083 Uiso 1 1 calc R . .
C29 C 0.0046(3) 0.8886(4) 0.6390(3) 0.0853(14) Uani 1 1 d . . .
H29 H -0.0328 0.9246 0.6572 0.102 Uiso 1 1 calc R . .
C30 C -0.0178(3) 0.8771(4) 0.5579(3) 0.0808(14) Uani 1 1 d . . .
C31 C 0.0370(3) 0.8253(4) 0.5306(3) 0.0871(15) Uani 1 1 d . . .
H31 H 0.0211 0.8163 0.4742 0.105 Uiso 1 1 calc R . .
C32 C 0.1178(3) 0.7851(3) 0.5876(3) 0.0726(12) Uani 1 1 d . . .
H32 H 0.1555 0.7506 0.5688 0.087 Uiso 1 1 calc R . .
C33 C -0.1281(4) 0.9071(5) 0.4217(4) 0.137(3) Uani 1 1 d . . .
H33A H -0.1838 0.9415 0.3947 0.205 Uiso 1 1 calc R . .
H33B H -0.1370 0.8376 0.4095 0.205 Uiso 1 1 calc R . .
H33C H -0.0848 0.9323 0.4022 0.205 Uiso 1 1 calc R . .
C34 C 0.3243(3) 0.5815(3) 0.9356(2) 0.0610(10) Uani 1 1 d . . .
C35 C 0.3562(4) 0.4253(4) 0.9813(3) 0.0859(14) Uani 1 1 d . . .
H35 H 0.3526 0.3567 0.9839 0.103 Uiso 1 1 calc R . .
C36 C 0.4168(4) 0.4829(4) 1.0356(3) 0.0815(14) Uani 1 1 d . . .
H36 H 0.4636 0.4624 1.0838 0.098 Uiso 1 1 calc R . .
C37 C 0.2226(5) 0.4469(4) 0.8521(4) 0.113(2) Uani 1 1 d . . .
H37A H 0.2210 0.3761 0.8563 0.169 Uiso 1 1 calc R . .
H37B H 0.2265 0.4646 0.8009 0.169 Uiso 1 1 calc R . .
H37C H 0.1690 0.4747 0.8539 0.169 Uiso 1 1 calc R . .
C38 C 0.4497(3) 0.6614(4) 1.0516(3) 0.0880(14) Uani 1 1 d . . .
H38A H 0.4979 0.6384 1.1006 0.132 Uiso 1 1 calc R . .
H38B H 0.4125 0.7057 1.0666 0.132 Uiso 1 1 calc R . .
H38C H 0.4736 0.6955 1.0170 0.132 Uiso 1 1 calc R . .
O41 O -0.0578(9) 0.7502(10) 0.1656(8) 0.189(4) Uiso 0.50 1 d PDU A -1
C42 C -0.0252(17) 0.8477(12) 0.1879(12) 0.201(5) Uiso 0.50 1 d PDU A -1
H42A H -0.0781 0.8894 0.1695 0.241 Uiso 0.50 1 calc PR A -1
H42B H 0.0059 0.8638 0.1526 0.241 Uiso 0.50 1 calc PR A -1
C43 C 0.0348(17) 0.8874(12) 0.2736(15) 0.255(9) Uiso 0.50 1 d PDU A -1
H43A H 0.0569 0.9517 0.2680 0.383 Uiso 0.50 1 calc PR A -1
H43B H 0.0843 0.8431 0.2991 0.383 Uiso 0.50 1 calc PR A -1
H43C H 0.0009 0.8921 0.3073 0.383 Uiso 0.50 1 calc PR A -1
C44 C -0.0610(12) 0.7275(12) 0.2472(11) 0.202(5) Uiso 0.50 1 d PDU A -1
H44A H -0.0500 0.7861 0.2815 0.243 Uiso 0.50 1 calc PR A -1
H44B H -0.1181 0.6988 0.2407 0.243 Uiso 0.50 1 calc PR A -1
C45 C 0.0124(13) 0.6550(11) 0.2816(9) 0.172(6) Uiso 0.50 1 d PDU A -1
H45A H 0.0151 0.6319 0.3341 0.258 Uiso 0.50 1 calc PR A -1
H45B H 0.0681 0.6860 0.2888 0.258 Uiso 0.50 1 calc PR A -1
H45C H 0.0017 0.6000 0.2444 0.258 Uiso 0.50 1 calc PR A -1
O50 O 0.5000 0.4369(3) 0.7500 0.0806(12) Uiso 1 2 d SD . .
H50 H 0.4566(14) 0.4733(12) 0.755(3) 0.121 Uiso 1 1 d D . .


_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 C2 1.881(5) . ?
Ru1 C1 1.892(5) . ?
Ru1 C34 2.118(4) . ?
Ru1 C5 2.206(3) . ?
Ru1 C6 2.211(3) . ?
Ru1 C4 2.263(3) . ?
Ru1 C7 2.274(3) . ?
Ru1 C3 2.471(3) . ?
N1 C34 1.353(5) . ?
N1 C35 1.366(5) . ?
N1 C37 1.451(7) . ?
N2 C34 1.356(5) . ?
N2 C36 1.375(6) . ?
N2 C38 1.430(6) . ?
O1 C1 1.128(5) . ?
O2 C2 1.145(5) . ?
O3 C3 1.247(4) . ?
O4 C23 1.375(5) . ?
O4 C26 1.383(8) . ?
O5 C30 1.378(5) . ?
O5 C33 1.409(8) . ?
C3 C4 1.467(5) . ?
C3 C7 1.473(5) . ?
C4 C5 1.455(5) . ?
C4 C8 1.480(5) . ?
C5 C6 1.431(5) . ?
C5 C20 1.489(5) . ?
C6 C7 1.448(5) . ?
C6 C27 1.491(5) . ?
C7 C14 1.485(5) . ?
C8 C13 1.384(5) . ?
C8 C9 1.392(5) . ?
C9 C10 1.391(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.363(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.379(7) . ?
C11 H11 0.9300 . ?
C12 C13 1.385(6) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.374(5) . ?
C14 C19 1.387(5) . ?
C15 C16 1.391(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.383(7) . ?
C16 H16 0.9300 . ?
C17 C18 1.355(7) . ?
C17 H17 0.9300 . ?
C18 C19 1.389(6) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.367(6) . ?
C20 C25 1.387(6) . ?
C21 C22 1.416(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.382(7) . ?
C22 H22 0.9300 . ?
C23 C24 1.352(7) . ?
C24 C25 1.391(6) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.384(6) . ?
C27 C32 1.384(6) . ?
C28 C29 1.373(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.336(7) . ?
C29 H29 0.9300 . ?
C30 C31 1.362(7) . ?
C31 C32 1.409(6) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C35 C36 1.321(7) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
O41 C42 1.416(9) . ?
O41 C44 1.490(9) . ?
C42 C43 1.534(10) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 C45 1.476(10) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
O50 H50 0.896(8) . ?

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
C2 Ru1 C1 89.7(2) . . ?
C2 Ru1 C34 94.32(17) . . ?
C1 Ru1 C34 92.28(17) . . ?
C2 Ru1 C5 96.80(17) . . ?
C1 Ru1 C5 127.90(15) . . ?
C34 Ru1 C5 138.13(14) . . ?
C2 Ru1 C6 124.23(16) . . ?
C1 Ru1 C6 98.39(15) . . ?
C34 Ru1 C6 139.76(14) . . ?
C5 Ru1 C6 37.80(13) . . ?
C2 Ru1 C4 103.33(17) . . ?
C1 Ru1 C4 161.10(15) . . ?
C34 Ru1 C4 100.17(14) . . ?
C5 Ru1 C4 37.97(12) . . ?
C6 Ru1 C4 63.00(12) . . ?
C2 Ru1 C7 159.39(17) . . ?
C1 Ru1 C7 101.67(16) . . ?
C34 Ru1 C7 102.22(13) . . ?
C5 Ru1 C7 62.65(12) . . ?
C6 Ru1 C7 37.64(12) . . ?
C4 Ru1 C7 61.94(12) . . ?
C2 Ru1 C3 136.63(17) . . ?
C1 Ru1 C3 133.61(16) . . ?
C34 Ru1 C3 84.14(13) . . ?
C5 Ru1 C3 60.56(12) . . ?
C6 Ru1 C3 60.61(12) . . ?
C4 Ru1 C3 35.75(12) . . ?
C7 Ru1 C3 35.87(11) . . ?
C34 N1 C35 111.2(4) . . ?
C34 N1 C37 126.7(3) . . ?
C35 N1 C37 122.1(4) . . ?
C34 N2 C36 110.6(4) . . ?
C34 N2 C38 126.7(4) . . ?
C36 N2 C38 122.6(4) . . ?
C23 O4 C26 118.2(5) . . ?
C30 O5 C33 118.5(5) . . ?
O1 C1 Ru1 178.8(4) . . ?
O2 C2 Ru1 177.7(4) . . ?
O3 C3 C4 127.3(3) . . ?
O3 C3 C7 127.2(3) . . ?
C4 C3 C7 105.2(3) . . ?
O3 C3 Ru1 129.9(2) . . ?
C4 C3 Ru1 64.37(18) . . ?
C7 C3 Ru1 64.77(18) . . ?
C5 C4 C3 108.4(3) . . ?
C5 C4 C8 124.3(3) . . ?
C3 C4 C8 124.9(3) . . ?
C5 C4 Ru1 68.90(19) . . ?
C3 C4 Ru1 79.9(2) . . ?
C8 C4 Ru1 131.0(2) . . ?
C6 C5 C4 108.2(3) . . ?
C6 C5 C20 124.8(3) . . ?
C4 C5 C20 125.5(3) . . ?
C6 C5 Ru1 71.27(19) . . ?
C4 C5 Ru1 73.13(19) . . ?
C20 C5 Ru1 132.0(3) . . ?
C5 C6 C7 108.1(3) . . ?
C5 C6 C27 124.9(3) . . ?
C7 C6 C27 126.1(3) . . ?
C5 C6 Ru1 70.94(19) . . ?
C7 C6 Ru1 73.57(18) . . ?
C27 C6 Ru1 129.8(2) . . ?
C6 C7 C3 108.6(3) . . ?
C6 C7 C14 125.0(3) . . ?
C3 C7 C14 123.8(3) . . ?
C6 C7 Ru1 68.79(18) . . ?
C3 C7 Ru1 79.36(19) . . ?
C14 C7 Ru1 132.4(2) . . ?
C13 C8 C9 117.9(3) . . ?
C13 C8 C4 122.0(3) . . ?
C9 C8 C4 120.0(3) . . ?
C10 C9 C8 120.9(4) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C11 C10 C9 120.4(4) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 119.4(4) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C11 C12 C13 120.7(4) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
C8 C13 C12 120.7(4) . . ?
C8 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
C15 C14 C19 118.0(4) . . ?
C15 C14 C7 119.7(3) . . ?
C19 C14 C7 122.2(3) . . ?
C14 C15 C16 121.0(4) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 H15 119.5 . . ?
C17 C16 C15 119.9(5) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C18 C17 C16 119.7(4) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C17 C18 C19 120.4(4) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
C14 C19 C18 121.0(4) . . ?
C14 C19 H19 119.5 . . ?
C18 C19 H19 119.5 . . ?
C21 C20 C25 118.5(4) . . ?
C21 C20 C5 118.1(3) . . ?
C25 C20 C5 123.4(4) . . ?
C20 C21 C22 121.2(4) . . ?
C20 C21 H21 119.4 . . ?
C22 C21 H21 119.4 . . ?
C23 C22 C21 118.3(4) . . ?
C23 C22 H22 120.8 . . ?
C21 C22 H22 120.8 . . ?
C24 C23 O4 115.7(5) . . ?
C24 C23 C22 120.9(4) . . ?
O4 C23 C22 123.4(5) . . ?
C23 C24 C25 120.2(5) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C20 C25 C24 120.8(5) . . ?
C20 C25 H25 119.6 . . ?
C24 C25 H25 119.6 . . ?
O4 C26 H26A 109.5 . . ?
O4 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O4 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C32 117.4(4) . . ?
C28 C27 C6 123.0(3) . . ?
C32 C27 C6 119.6(4) . . ?
C29 C28 C27 121.3(4) . . ?
C29 C28 H28 119.3 . . ?
C27 C28 H28 119.3 . . ?
C30 C29 C28 121.3(5) . . ?
C30 C29 H29 119.3 . . ?
C28 C29 H29 119.3 . . ?
C29 C30 C31 119.7(4) . . ?
C29 C30 O5 115.2(5) . . ?
C31 C30 O5 125.1(5) . . ?
C30 C31 C32 120.2(5) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 H31 119.9 . . ?
C27 C32 C31 120.0(5) . . ?
C27 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
O5 C33 H33A 109.5 . . ?
O5 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
O5 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N1 C34 N2 103.8(3) . . ?
N1 C34 Ru1 127.7(3) . . ?
N2 C34 Ru1 128.5(3) . . ?
C36 C35 N1 107.2(4) . . ?
C36 C35 H35 126.4 . . ?
N1 C35 H35 126.4 . . ?
C35 C36 N2 107.2(4) . . ?
C35 C36 H36 126.4 . . ?
N2 C36 H36 126.4 . . ?
N1 C37 H37A 109.5 . . ?
N1 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
N1 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N2 C38 H38A 109.5 . . ?
N2 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
N2 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C42 O41 C44 94.3(10) . . ?
O41 C42 C43 128.4(14) . . ?
O41 C42 H42A 105.2 . . ?
C43 C42 H42A 105.2 . . ?
O41 C42 H42B 105.2 . . ?
C43 C42 H42B 105.2 . . ?
H42A C42 H42B 105.9 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 O41 101.6(11) . . ?
C45 C44 H44A 111.4 . . ?
O41 C44 H44A 111.4 . . ?
C45 C44 H44B 111.4 . . ?
O41 C44 H44B 111.4 . . ?
H44A C44 H44B 109.3 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?

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
C2 Ru1 C1 O1 51(19) . . . . ?
C34 Ru1 C1 O1 146(19) . . . . ?
C5 Ru1 C1 O1 -47(19) . . . . ?
C6 Ru1 C1 O1 -73(19) . . . . ?
C4 Ru1 C1 O1 -83(19) . . . . ?
C7 Ru1 C1 O1 -111(19) . . . . ?
C3 Ru1 C1 O1 -130(19) . . . . ?
C1 Ru1 C2 O2 -123(11) . . . . ?
C34 Ru1 C2 O2 145(11) . . . . ?
C5 Ru1 C2 O2 5(11) . . . . ?
C6 Ru1 C2 O2 -23(11) . . . . ?
C4 Ru1 C2 O2 43(11) . . . . ?
C7 Ru1 C2 O2 1(11) . . . . ?
C3 Ru1 C2 O2 59(11) . . . . ?
C2 Ru1 C3 O3 91.9(4) . . . . ?
C1 Ru1 C3 O3 -85.7(4) . . . . ?
C34 Ru1 C3 O3 1.8(3) . . . . ?
C5 Ru1 C3 O3 158.4(4) . . . . ?
C6 Ru1 C3 O3 -158.0(4) . . . . ?
C4 Ru1 C3 O3 118.3(4) . . . . ?
C7 Ru1 C3 O3 -118.5(4) . . . . ?
C2 Ru1 C3 C4 -26.4(3) . . . . ?
C1 Ru1 C3 C4 155.9(2) . . . . ?
C34 Ru1 C3 C4 -116.5(2) . . . . ?
C5 Ru1 C3 C4 40.06(19) . . . . ?
C6 Ru1 C3 C4 83.7(2) . . . . ?
C7 Ru1 C3 C4 123.2(3) . . . . ?
C2 Ru1 C3 C7 -149.6(2) . . . . ?
C1 Ru1 C3 C7 32.8(3) . . . . ?
C34 Ru1 C3 C7 120.3(2) . . . . ?
C5 Ru1 C3 C7 -83.1(2) . . . . ?
C6 Ru1 C3 C7 -39.5(2) . . . . ?
C4 Ru1 C3 C7 -123.2(3) . . . . ?
O3 C3 C4 C5 174.5(3) . . . . ?
C7 C3 C4 C5 -11.9(4) . . . . ?
Ru1 C3 C4 C5 -63.6(2) . . . . ?
O3 C3 C4 C8 11.6(6) . . . . ?
C7 C3 C4 C8 -174.8(3) . . . . ?
Ru1 C3 C4 C8 133.5(3) . . . . ?
O3 C3 C4 Ru1 -121.9(4) . . . . ?
C7 C3 C4 Ru1 51.7(2) . . . . ?
C2 Ru1 C4 C5 -83.9(2) . . . . ?
C1 Ru1 C4 C5 48.7(5) . . . . ?
C34 Ru1 C4 C5 179.1(2) . . . . ?
C6 Ru1 C4 C5 37.95(19) . . . . ?
C7 Ru1 C4 C5 80.6(2) . . . . ?
C3 Ru1 C4 C5 114.4(3) . . . . ?
C2 Ru1 C4 C3 161.7(2) . . . . ?
C1 Ru1 C4 C3 -65.7(5) . . . . ?
C34 Ru1 C4 C3 64.8(2) . . . . ?
C5 Ru1 C4 C3 -114.4(3) . . . . ?
C6 Ru1 C4 C3 -76.4(2) . . . . ?
C7 Ru1 C4 C3 -33.76(18) . . . . ?
C2 Ru1 C4 C8 33.8(3) . . . . ?
C1 Ru1 C4 C8 166.4(5) . . . . ?
C34 Ru1 C4 C8 -63.2(3) . . . . ?
C5 Ru1 C4 C8 117.7(4) . . . . ?
C6 Ru1 C4 C8 155.6(4) . . . . ?
C7 Ru1 C4 C8 -161.7(3) . . . . ?
C3 Ru1 C4 C8 -127.9(4) . . . . ?
C3 C4 C5 C6 7.9(4) . . . . ?
C8 C4 C5 C6 170.9(3) . . . . ?
Ru1 C4 C5 C6 -63.1(2) . . . . ?
C3 C4 C5 C20 -159.1(3) . . . . ?
C8 C4 C5 C20 3.9(6) . . . . ?
Ru1 C4 C5 C20 130.0(4) . . . . ?
C3 C4 C5 Ru1 70.9(2) . . . . ?
C8 C4 C5 Ru1 -126.1(3) . . . . ?
C2 Ru1 C5 C6 -140.4(2) . . . . ?
C1 Ru1 C5 C6 -45.4(3) . . . . ?
C34 Ru1 C5 C6 115.3(3) . . . . ?
C4 Ru1 C5 C6 116.6(3) . . . . ?
C7 Ru1 C5 C6 38.03(19) . . . . ?
C3 Ru1 C5 C6 78.9(2) . . . . ?
C2 Ru1 C5 C4 103.0(2) . . . . ?
C1 Ru1 C5 C4 -162.0(2) . . . . ?
C34 Ru1 C5 C4 -1.3(3) . . . . ?
C6 Ru1 C5 C4 -116.6(3) . . . . ?
C7 Ru1 C5 C4 -78.6(2) . . . . ?
C3 Ru1 C5 C4 -37.68(18) . . . . ?
C2 Ru1 C5 C20 -20.0(3) . . . . ?
C1 Ru1 C5 C20 75.0(4) . . . . ?
C34 Ru1 C5 C20 -124.3(3) . . . . ?
C6 Ru1 C5 C20 120.4(4) . . . . ?
C4 Ru1 C5 C20 -123.0(4) . . . . ?
C7 Ru1 C5 C20 158.4(4) . . . . ?
C3 Ru1 C5 C20 -160.7(4) . . . . ?
C4 C5 C6 C7 -0.4(4) . . . . ?
C20 C5 C6 C7 166.7(3) . . . . ?
Ru1 C5 C6 C7 -64.7(2) . . . . ?
C4 C5 C6 C27 -169.9(3) . . . . ?
C20 C5 C6 C27 -2.8(6) . . . . ?
Ru1 C5 C6 C27 125.8(3) . . . . ?
C4 C5 C6 Ru1 64.3(2) . . . . ?
C20 C5 C6 Ru1 -128.6(4) . . . . ?
C2 Ru1 C6 C5 49.9(3) . . . . ?
C1 Ru1 C6 C5 145.4(2) . . . . ?
C34 Ru1 C6 C5 -110.9(3) . . . . ?
C4 Ru1 C6 C5 -38.12(19) . . . . ?
C7 Ru1 C6 C5 -116.4(3) . . . . ?
C3 Ru1 C6 C5 -78.8(2) . . . . ?
C2 Ru1 C6 C7 166.3(2) . . . . ?
C1 Ru1 C6 C7 -98.2(2) . . . . ?
C34 Ru1 C6 C7 5.4(3) . . . . ?
C5 Ru1 C6 C7 116.4(3) . . . . ?
C4 Ru1 C6 C7 78.2(2) . . . . ?
C3 Ru1 C6 C7 37.57(18) . . . . ?
C2 Ru1 C6 C27 -70.1(4) . . . . ?
C1 Ru1 C6 C27 25.3(4) . . . . ?
C34 Ru1 C6 C27 129.0(3) . . . . ?
C5 Ru1 C6 C27 -120.0(4) . . . . ?
C4 Ru1 C6 C27 -158.2(4) . . . . ?
C7 Ru1 C6 C27 123.6(4) . . . . ?
C3 Ru1 C6 C27 161.2(4) . . . . ?
C5 C6 C7 C3 -7.2(4) . . . . ?
C27 C6 C7 C3 162.2(3) . . . . ?
Ru1 C6 C7 C3 -70.1(2) . . . . ?
C5 C6 C7 C14 -169.3(3) . . . . ?
C27 C6 C7 C14 0.0(5) . . . . ?
Ru1 C6 C7 C14 127.7(3) . . . . ?
C5 C6 C7 Ru1 63.0(2) . . . . ?
C27 C6 C7 Ru1 -127.7(3) . . . . ?
O3 C3 C7 C6 -174.7(3) . . . . ?
C4 C3 C7 C6 11.7(4) . . . . ?
Ru1 C3 C7 C6 63.1(2) . . . . ?
O3 C3 C7 C14 -12.2(6) . . . . ?
C4 C3 C7 C14 174.1(3) . . . . ?
Ru1 C3 C7 C14 -134.4(3) . . . . ?
O3 C3 C7 Ru1 122.2(4) . . . . ?
C4 C3 C7 Ru1 -51.4(2) . . . . ?
C2 Ru1 C7 C6 -33.8(5) . . . . ?
C1 Ru1 C7 C6 88.6(2) . . . . ?
C34 Ru1 C7 C6 -176.4(2) . . . . ?
C5 Ru1 C7 C6 -38.19(19) . . . . ?
C4 Ru1 C7 C6 -81.3(2) . . . . ?
C3 Ru1 C7 C6 -115.0(3) . . . . ?
C2 Ru1 C7 C3 81.2(5) . . . . ?
C1 Ru1 C7 C3 -156.4(2) . . . . ?
C34 Ru1 C7 C3 -61.5(2) . . . . ?
C5 Ru1 C7 C3 76.8(2) . . . . ?
C6 Ru1 C7 C3 115.0(3) . . . . ?
C4 Ru1 C7 C3 33.66(19) . . . . ?
C2 Ru1 C7 C14 -152.3(4) . . . . ?
C1 Ru1 C7 C14 -29.9(3) . . . . ?
C34 Ru1 C7 C14 65.0(3) . . . . ?
C5 Ru1 C7 C14 -156.8(3) . . . . ?
C6 Ru1 C7 C14 -118.6(4) . . . . ?
C4 Ru1 C7 C14 160.1(3) . . . . ?
C3 Ru1 C7 C14 126.5(4) . . . . ?
C5 C4 C8 C13 42.6(5) . . . . ?
C3 C4 C8 C13 -157.2(4) . . . . ?
Ru1 C4 C8 C13 -48.3(5) . . . . ?
C5 C4 C8 C9 -134.4(4) . . . . ?
C3 C4 C8 C9 25.8(5) . . . . ?
Ru1 C4 C8 C9 134.7(3) . . . . ?
C13 C8 C9 C10 -2.8(6) . . . . ?
C4 C8 C9 C10 174.3(3) . . . . ?
C8 C9 C10 C11 0.9(6) . . . . ?
C9 C10 C11 C12 1.5(7) . . . . ?
C10 C11 C12 C13 -2.0(8) . . . . ?
C9 C8 C13 C12 2.3(6) . . . . ?
C4 C8 C13 C12 -174.8(4) . . . . ?
C11 C12 C13 C8 0.1(8) . . . . ?
C6 C7 C14 C15 128.2(4) . . . . ?
C3 C7 C14 C15 -31.4(5) . . . . ?
Ru1 C7 C14 C15 -139.5(3) . . . . ?
C6 C7 C14 C19 -49.0(5) . . . . ?
C3 C7 C14 C19 151.4(4) . . . . ?
Ru1 C7 C14 C19 43.4(5) . . . . ?
C19 C14 C15 C16 0.0(6) . . . . ?
C7 C14 C15 C16 -177.3(4) . . . . ?
C14 C15 C16 C17 -0.8(7) . . . . ?
C15 C16 C17 C18 0.8(8) . . . . ?
C16 C17 C18 C19 0.0(8) . . . . ?
C15 C14 C19 C18 0.9(6) . . . . ?
C7 C14 C19 C18 178.1(4) . . . . ?
C17 C18 C19 C14 -0.9(7) . . . . ?
C6 C5 C20 C21 -104.7(4) . . . . ?
C4 C5 C20 C21 60.2(5) . . . . ?
Ru1 C5 C20 C21 159.6(3) . . . . ?
C6 C5 C20 C25 73.9(5) . . . . ?
C4 C5 C20 C25 -121.2(4) . . . . ?
Ru1 C5 C20 C25 -21.8(5) . . . . ?
C25 C20 C21 C22 -0.3(6) . . . . ?
C5 C20 C21 C22 178.4(4) . . . . ?
C20 C21 C22 C23 -0.2(6) . . . . ?
C26 O4 C23 C24 -176.1(5) . . . . ?
C26 O4 C23 C22 4.0(7) . . . . ?
C21 C22 C23 C24 0.6(7) . . . . ?
C21 C22 C23 O4 -179.5(4) . . . . ?
O4 C23 C24 C25 179.6(4) . . . . ?
C22 C23 C24 C25 -0.5(7) . . . . ?
C21 C20 C25 C24 0.4(6) . . . . ?
C5 C20 C25 C24 -178.3(4) . . . . ?
C23 C24 C25 C20 0.0(7) . . . . ?
C5 C6 C27 C28 -65.1(5) . . . . ?
C7 C6 C27 C28 127.3(4) . . . . ?
Ru1 C6 C27 C28 28.6(5) . . . . ?
C5 C6 C27 C32 114.2(4) . . . . ?
C7 C6 C27 C32 -53.4(5) . . . . ?
Ru1 C6 C27 C32 -152.1(3) . . . . ?
C32 C27 C28 C29 -2.4(6) . . . . ?
C6 C27 C28 C29 176.9(4) . . . . ?
C27 C28 C29 C30 2.4(7) . . . . ?
C28 C29 C30 C31 -0.6(8) . . . . ?
C28 C29 C30 O5 179.9(4) . . . . ?
C33 O5 C30 C29 -175.9(5) . . . . ?
C33 O5 C30 C31 4.7(8) . . . . ?
C29 C30 C31 C32 -1.0(8) . . . . ?
O5 C30 C31 C32 178.4(4) . . . . ?
C28 C27 C32 C31 0.8(6) . . . . ?
C6 C27 C32 C31 -178.5(4) . . . . ?
C30 C31 C32 C27 0.9(7) . . . . ?
C35 N1 C34 N2 0.0(5) . . . . ?
C37 N1 C34 N2 177.4(5) . . . . ?
C35 N1 C34 Ru1 176.9(3) . . . . ?
C37 N1 C34 Ru1 -5.7(7) . . . . ?
C36 N2 C34 N1 -0.2(5) . . . . ?
C38 N2 C34 N1 -179.6(4) . . . . ?
C36 N2 C34 Ru1 -177.1(3) . . . . ?
C38 N2 C34 Ru1 3.5(6) . . . . ?
C2 Ru1 C34 N1 142.9(4) . . . . ?
C1 Ru1 C34 N1 53.0(4) . . . . ?
C5 Ru1 C34 N1 -111.8(4) . . . . ?
C6 Ru1 C34 N1 -52.8(5) . . . . ?
C4 Ru1 C34 N1 -112.7(4) . . . . ?
C7 Ru1 C34 N1 -49.4(4) . . . . ?
C3 Ru1 C34 N1 -80.6(4) . . . . ?
C2 Ru1 C34 N2 -40.9(4) . . . . ?
C1 Ru1 C34 N2 -130.8(4) . . . . ?
C5 Ru1 C34 N2 64.3(4) . . . . ?
C6 Ru1 C34 N2 123.3(3) . . . . ?
C4 Ru1 C34 N2 63.5(4) . . . . ?
C7 Ru1 C34 N2 126.7(3) . . . . ?
C3 Ru1 C34 N2 95.6(3) . . . . ?
C34 N1 C35 C36 0.2(6) . . . . ?
C37 N1 C35 C36 -177.3(5) . . . . ?
N1 C35 C36 N2 -0.3(6) . . . . ?
C34 N2 C36 C35 0.4(5) . . . . ?
C38 N2 C36 C35 179.8(4) . . . . ?
C44 O41 C42 C43 31(3) . . . . ?
C42 O41 C44 C45 -110.0(15) . . . . ?

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
O50 H50 O3 0.896(8) 1.911(9) 2.756(4) 157(2) .

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.66
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.785
_refine_diff_density_min         -0.610
_refine_diff_density_rms         0.069
_database_code_depnum_ccdc_archive 'CCDC 1016379'
#######################################################################
#
#                 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_4b

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H40 N2 O5 Ru'
_chemical_formula_weight         849.91

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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   14.602(4)
_cell_length_b                   15.790(4)
_cell_length_c                   17.850(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.118(3)
_cell_angle_gamma                90.00
_cell_volume                     4038.4(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3447
_cell_measurement_theta_min      2.3255
_cell_measurement_theta_max      26.810

_exptl_crystal_description       plate
_exptl_crystal_colour            pale-yellow
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.398
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1752
_exptl_absorpt_coefficient_mu    0.440
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.9369
_exptl_absorpt_correction_T_max  0.9573
_exptl_absorpt_process_details   
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.0970 (selected reflections only, before parameter refinement)
 R(int) = 0.0640 (selected reflections only, after parameter refinement)
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            31532
_diffrn_reflns_av_R_equivalents  0.1717
_diffrn_reflns_av_unetI/netI     0.1411
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.65
_diffrn_reflns_theta_max         23.53
_reflns_number_total             6003
_reflns_number_gt                2599
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1996)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. The following restraints
 were applied (given as SHELXL lines):  
 simu .01 $c
 isor .01 c20 c27 c31 c35 c36 c40 c41 c42 c43 c48 c49 c50 o1 o2 o4
 AFIX 66 on Ph rings
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0875P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6003
_refine_ls_number_parameters     451
_refine_ls_number_restraints     378
_refine_ls_R_factor_all          0.1861
_refine_ls_R_factor_gt           0.0675
_refine_ls_wR_factor_ref         0.1946
_refine_ls_wR_factor_gt          0.1427
_refine_ls_goodness_of_fit_ref   0.966
_refine_ls_restrained_S_all      0.980
_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
C1 C 0.7069(7) 0.3122(6) 0.5839(6) 0.072(3) Uani 1 1 d . . .
C2 C 0.8320(7) 0.2011(7) 0.5769(6) 0.081(3) Uani 1 1 d . . .
C3 C 0.8046(6) 0.3244(6) 0.3811(5) 0.056(2) Uani 1 1 d U . .
C4 C 0.7175(6) 0.3571(5) 0.4052(5) 0.055(2) Uani 1 1 d U . .
C5 C 0.6603(6) 0.2866(6) 0.4138(5) 0.0560(19) Uani 1 1 d U . .
C6 C 0.7120(6) 0.2112(6) 0.4123(4) 0.0559(19) Uani 1 1 d U . .
C7 C 0.8030(6) 0.2327(5) 0.3983(5) 0.056(2) Uani 1 1 d U . .
C8 C 0.6875(4) 0.4466(3) 0.4002(4) 0.063(2) Uani 1 1 d GU . .
C9 C 0.7254(4) 0.5029(4) 0.3547(3) 0.076(2) Uani 1 1 d GU . .
H9 H 0.7687 0.4840 0.3265 0.091 Uiso 1 1 calc R . .
C10 C 0.6986(5) 0.5875(4) 0.3512(4) 0.094(3) Uani 1 1 d GU . .
H10 H 0.7239 0.6252 0.3207 0.113 Uiso 1 1 calc R . .
C11 C 0.6338(5) 0.6157(3) 0.3934(4) 0.099(3) Uani 1 1 d GU . .
H11 H 0.6159 0.6723 0.3911 0.119 Uiso 1 1 calc R . .
C12 C 0.5960(4) 0.5594(4) 0.4390(4) 0.091(3) Uani 1 1 d GU . .
H12 H 0.5527 0.5783 0.4672 0.110 Uiso 1 1 calc R . .
C13 C 0.6228(4) 0.4748(4) 0.4424(3) 0.076(2) Uani 1 1 d GU . .
H13 H 0.5975 0.4371 0.4729 0.091 Uiso 1 1 calc R . .
C14 C 0.5561(3) 0.2854(4) 0.4093(4) 0.061(2) Uani 1 1 d GU . .
C15 C 0.5017(4) 0.3137(4) 0.3413(3) 0.075(2) Uani 1 1 d GU . .
H15 H 0.5300 0.3370 0.3037 0.090 Uiso 1 1 calc R . .
C16 C 0.4051(4) 0.3071(4) 0.3297(3) 0.082(3) Uani 1 1 d GU . .
H16 H 0.3687 0.3261 0.2842 0.098 Uiso 1 1 calc R . .
C17 C 0.3628(3) 0.2723(4) 0.3860(4) 0.076(3) Uani 1 1 d GU . .
C18 C 0.4172(4) 0.2440(4) 0.4540(3) 0.076(3) Uani 1 1 d GU . .
H18 H 0.3890 0.2207 0.4916 0.091 Uiso 1 1 calc R . .
C19 C 0.5139(4) 0.2505(4) 0.4656(3) 0.070(2) Uani 1 1 d GU . .
H19 H 0.5503 0.2316 0.5111 0.084 Uiso 1 1 calc R . .
C20 C 0.2117(9) 0.2702(9) 0.3134(8) 0.143(5) Uani 1 1 d U . .
H20A H 0.1479 0.2635 0.3187 0.214 Uiso 1 1 calc R . .
H20B H 0.2276 0.2265 0.2806 0.214 Uiso 1 1 calc R . .
H20C H 0.2196 0.3246 0.2915 0.214 Uiso 1 1 calc R . .
C21 C 0.6698(4) 0.1239(3) 0.4057(3) 0.061(2) Uani 1 1 d GU . .
C22 C 0.6458(4) 0.0893(4) 0.3329(3) 0.069(2) Uani 1 1 d GU . .
H22 H 0.6609 0.1178 0.2913 0.083 Uiso 1 1 calc R . .
C23 C 0.5994(4) 0.0121(4) 0.3224(3) 0.077(2) Uani 1 1 d GU . .
H23 H 0.5833 -0.0110 0.2737 0.093 Uiso 1 1 calc R . .
C24 C 0.5769(4) -0.0304(3) 0.3845(4) 0.080(3) Uani 1 1 d GU . .
C25 C 0.6008(4) 0.0042(4) 0.4573(3) 0.080(3) Uani 1 1 d GU . .
H25 H 0.5858 -0.0243 0.4989 0.095 Uiso 1 1 calc R . .
C26 C 0.6473(4) 0.0814(4) 0.4678(3) 0.072(2) Uani 1 1 d GU . .
H26 H 0.6633 0.1045 0.5165 0.086 Uiso 1 1 calc R . .
C27 C 0.4945(9) -0.1402(8) 0.3098(7) 0.126(4) Uani 1 1 d U . .
H27A H 0.4641 -0.1931 0.3156 0.189 Uiso 1 1 calc R . .
H27B H 0.5447 -0.1495 0.2831 0.189 Uiso 1 1 calc R . .
H27C H 0.4503 -0.1016 0.2813 0.189 Uiso 1 1 calc R . .
C28 C 0.8719(4) 0.1711(4) 0.3819(4) 0.067(2) Uani 1 1 d GU . .
C29 C 0.9228(5) 0.1885(4) 0.3254(4) 0.083(3) Uani 1 1 d GU . .
H29 H 0.9157 0.2404 0.3002 0.100 Uiso 1 1 calc R . .
C30 C 0.9843(4) 0.1285(5) 0.3066(4) 0.109(3) Uani 1 1 d GU . .
H30 H 1.0183 0.1402 0.2689 0.131 Uiso 1 1 calc R . .
C31 C 0.9949(4) 0.0510(4) 0.3443(4) 0.115(3) Uani 1 1 d GU . .
H31 H 1.0360 0.0109 0.3317 0.137 Uiso 1 1 calc R . .
C32 C 0.9440(5) 0.0336(4) 0.4008(4) 0.106(3) Uani 1 1 d GU . .
H32 H 0.9510 -0.0182 0.4260 0.128 Uiso 1 1 calc R . .
C33 C 0.8825(4) 0.0936(4) 0.4195(3) 0.086(3) Uani 1 1 d GU . .
H33 H 0.8484 0.0819 0.4573 0.103 Uiso 1 1 calc R . .
C34 C 0.8908(7) 0.3682(6) 0.5477(5) 0.065(3) Uani 1 1 d . . .
C35 C 0.9813(8) 0.4813(7) 0.5933(6) 0.085(3) Uani 1 1 d U . .
H35 H 0.9987 0.5341 0.6145 0.102 Uiso 1 1 calc R . .
C36 C 1.0353(8) 0.4256(8) 0.5723(6) 0.090(3) Uani 1 1 d U . .
H36 H 1.0993 0.4312 0.5757 0.108 Uiso 1 1 calc R . .
C37 C 0.8145(8) 0.4902(7) 0.5966(6) 0.095(3) Uani 1 1 d U . .
H37A H 0.7582 0.4715 0.5625 0.113 Uiso 1 1 calc R . .
H37B H 0.8214 0.5504 0.5887 0.113 Uiso 1 1 calc R . .
C38 C 0.8042(6) 0.4752(5) 0.6777(4) 0.094(3) Uani 1 1 d GU . .
C39 C 0.8718(5) 0.4350(5) 0.7313(5) 0.096(3) Uani 1 1 d GU . .
H39 H 0.9256 0.4143 0.7172 0.115 Uiso 1 1 calc R . .
C40 C 0.8590(6) 0.4258(5) 0.8061(4) 0.120(3) Uani 1 1 d GU . .
H40 H 0.9043 0.3989 0.8420 0.144 Uiso 1 1 calc R . .
C41 C 0.7786(7) 0.4568(5) 0.8271(4) 0.132(4) Uani 1 1 d GU . .
H41 H 0.7700 0.4507 0.8772 0.158 Uiso 1 1 calc R . .
C42 C 0.7109(5) 0.4971(5) 0.7735(6) 0.134(4) Uani 1 1 d GU . .
H42 H 0.6571 0.5178 0.7876 0.161 Uiso 1 1 calc R . .
C43 C 0.7237(5) 0.5063(5) 0.6987(5) 0.128(3) Uani 1 1 d GU . .
H43 H 0.6784 0.5332 0.6628 0.154 Uiso 1 1 calc R . .
C44 C 1.0197(7) 0.2822(8) 0.5132(5) 0.090(3) Uani 1 1 d U . .
H44A H 1.0458 0.2986 0.4694 0.108 Uiso 1 1 calc R . .
H44B H 0.9692 0.2427 0.4958 0.108 Uiso 1 1 calc R . .
C45 C 1.0922(5) 0.2395(5) 0.5692(4) 0.083(3) Uani 1 1 d GU . .
C46 C 1.0940(5) 0.2424(5) 0.6473(4) 0.091(3) Uani 1 1 d GU . .
H46 H 1.0492 0.2734 0.6661 0.109 Uiso 1 1 calc R . .
C47 C 1.1628(5) 0.1989(5) 0.6973(3) 0.099(3) Uani 1 1 d GU . .
H47 H 1.1640 0.2008 0.7496 0.119 Uiso 1 1 calc R . .
C48 C 1.2298(5) 0.1526(5) 0.6693(4) 0.119(3) Uani 1 1 d GU . .
H48 H 1.2758 0.1235 0.7028 0.143 Uiso 1 1 calc R . .
C49 C 1.2280(5) 0.1497(5) 0.5912(5) 0.128(3) Uani 1 1 d GU . .
H49 H 1.2728 0.1187 0.5724 0.153 Uiso 1 1 calc R . .
C50 C 1.1592(6) 0.1932(5) 0.5411(3) 0.108(3) Uani 1 1 d GU . .
H50 H 1.1580 0.1913 0.4889 0.129 Uiso 1 1 calc R . .
N1 N 0.8918(6) 0.4473(6) 0.5780(4) 0.077(2) Uani 1 1 d . . .
N2 N 0.9826(6) 0.3562(6) 0.5439(4) 0.077(2) Uani 1 1 d . . .
O1 O 0.6567(5) 0.3257(5) 0.6243(4) 0.098(2) Uani 1 1 d U . .
O2 O 0.8676(6) 0.1463(5) 0.6161(4) 0.111(3) Uani 1 1 d U . .
O3 O 0.8667(4) 0.3660(4) 0.3601(3) 0.0671(17) Uani 1 1 d . . .
O4 O 0.2689(6) 0.2643(5) 0.3838(5) 0.120(3) Uani 1 1 d U . .
O5 O 0.5296(5) -0.1062(4) 0.3814(4) 0.107(2) Uani 1 1 d . . .
Ru1 Ru 0.77864(5) 0.28492(5) 0.51122(4) 0.0597(3) Uani 1 1 d . . .


_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
C1 O1 1.144(9) . ?
C1 Ru1 1.868(10) . ?
C2 O2 1.170(10) . ?
C2 Ru1 1.840(11) . ?
C3 O3 1.235(9) . ?
C3 C7 1.481(11) . ?
C3 C4 1.510(11) . ?
C3 Ru1 2.503(10) . ?
C4 C5 1.418(11) . ?
C4 C8 1.476(9) . ?
C4 Ru1 2.242(8) . ?
C5 C6 1.412(11) . ?
C5 C14 1.508(9) . ?
C5 Ru1 2.203(8) . ?
C6 C7 1.439(11) . ?
C6 C21 1.505(10) . ?
C6 Ru1 2.181(8) . ?
C7 C28 1.469(9) . ?
C7 Ru1 2.269(8) . ?
C8 C9 1.3900 . ?
C8 C13 1.3900 . ?
C9 C10 1.3900 . ?
C9 H9 0.9300 . ?
C10 C11 1.3900 . ?
C10 H10 0.9300 . ?
C11 C12 1.3900 . ?
C11 H11 0.9300 . ?
C12 C13 1.3900 . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.3900 . ?
C14 C19 1.3900 . ?
C15 C16 1.3900 . ?
C15 H15 0.9300 . ?
C16 C17 1.3900 . ?
C16 H16 0.9300 . ?
C17 O4 1.371(8) . ?
C17 C18 1.3900 . ?
C18 C19 1.3900 . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 O4 1.371(13) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.3900 . ?
C21 C26 1.3900 . ?
C22 C23 1.3900 . ?
C22 H22 0.9300 . ?
C23 C24 1.3900 . ?
C23 H23 0.9300 . ?
C24 O5 1.377(8) . ?
C24 C25 1.3900 . ?
C25 C26 1.3900 . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 O5 1.390(12) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 C29 1.3900 . ?
C28 C33 1.3900 . ?
C29 C30 1.3900 . ?
C29 H29 0.9300 . ?
C30 C31 1.3900 . ?
C30 H30 0.9300 . ?
C31 C32 1.3900 . ?
C31 H31 0.9300 . ?
C32 C33 1.3900 . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C34 N1 1.361(11) . ?
C34 N2 1.369(11) . ?
C34 Ru1 2.103(10) . ?
C35 C36 1.284(13) . ?
C35 N1 1.392(12) . ?
C35 H35 0.9300 . ?
C36 N2 1.378(12) . ?
C36 H36 0.9300 . ?
C37 N1 1.409(11) . ?
C37 C38 1.502(11) . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
C38 C39 1.3900 . ?
C38 C43 1.3900 . ?
C39 C40 1.3900 . ?
C39 H39 0.9300 . ?
C40 C41 1.3900 . ?
C40 H40 0.9300 . ?
C41 C42 1.3900 . ?
C41 H41 0.9300 . ?
C42 C43 1.3900 . ?
C42 H42 0.9300 . ?
C43 H43 0.9300 . ?
C44 N2 1.439(12) . ?
C44 C45 1.472(10) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C45 C46 1.3900 . ?
C45 C50 1.3900 . ?
C46 C47 1.3900 . ?
C46 H46 0.9300 . ?
C47 C48 1.3900 . ?
C47 H47 0.9300 . ?
C48 C49 1.3900 . ?
C48 H48 0.9300 . ?
C49 C50 1.3900 . ?
C49 H49 0.9300 . ?
C50 H50 0.9300 . ?

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 C1 Ru1 174.1(9) . . ?
O2 C2 Ru1 177.0(9) . . ?
O3 C3 C7 128.7(8) . . ?
O3 C3 C4 127.7(8) . . ?
C7 C3 C4 103.2(8) . . ?
O3 C3 Ru1 131.7(6) . . ?
C7 C3 Ru1 63.5(5) . . ?
C4 C3 Ru1 62.3(5) . . ?
C5 C4 C8 125.7(7) . . ?
C5 C4 C3 108.0(7) . . ?
C8 C4 C3 124.5(7) . . ?
C5 C4 Ru1 69.9(5) . . ?
C8 C4 Ru1 127.0(5) . . ?
C3 C4 Ru1 81.2(5) . . ?
C6 C5 C4 109.3(7) . . ?
C6 C5 C14 121.7(8) . . ?
C4 C5 C14 127.9(7) . . ?
C6 C5 Ru1 70.4(5) . . ?
C4 C5 Ru1 72.9(5) . . ?
C14 C5 Ru1 132.2(5) . . ?
C5 C6 C7 108.7(8) . . ?
C5 C6 C21 124.1(7) . . ?
C7 C6 C21 125.4(7) . . ?
C5 C6 Ru1 72.0(5) . . ?
C7 C6 Ru1 74.5(5) . . ?
C21 C6 Ru1 131.6(5) . . ?
C6 C7 C28 124.7(8) . . ?
C6 C7 C3 108.5(8) . . ?
C28 C7 C3 124.6(8) . . ?
C6 C7 Ru1 67.9(5) . . ?
C28 C7 Ru1 130.5(5) . . ?
C3 C7 Ru1 80.8(5) . . ?
C9 C8 C13 120.0 . . ?
C9 C8 C4 120.0(5) . . ?
C13 C8 C4 120.0(5) . . ?
C8 C9 C10 120.0 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C11 C10 C9 120.0 . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C11 C12 120.0 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 C13 120.0 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 C8 120.0 . . ?
C12 C13 H13 120.0 . . ?
C8 C13 H13 120.0 . . ?
C15 C14 C19 120.0 . . ?
C15 C14 C5 116.3(5) . . ?
C19 C14 C5 123.4(5) . . ?
C16 C15 C14 120.0 . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 120.0 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
O4 C17 C18 113.3(6) . . ?
O4 C17 C16 126.7(6) . . ?
C18 C17 C16 120.0 . . ?
C19 C18 C17 120.0 . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C14 120.0 . . ?
C18 C19 H19 120.0 . . ?
C14 C19 H19 120.0 . . ?
O4 C20 H20A 109.5 . . ?
O4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
O4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C26 120.0 . . ?
C22 C21 C6 117.3(5) . . ?
C26 C21 C6 122.5(5) . . ?
C23 C22 C21 120.0 . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C24 C23 C22 120.0 . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
O5 C24 C23 125.6(6) . . ?
O5 C24 C25 114.4(6) . . ?
C23 C24 C25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C26 C21 120.0 . . ?
C25 C26 H26 120.0 . . ?
C21 C26 H26 120.0 . . ?
O5 C27 H27A 109.5 . . ?
O5 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
O5 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 C33 120.0 . . ?
C29 C28 C7 119.7(6) . . ?
C33 C28 C7 120.2(6) . . ?
C28 C29 C30 120.0 . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C31 C30 C29 120.0 . . ?
C31 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C30 C31 C32 120.0 . . ?
C30 C31 H31 120.0 . . ?
C32 C31 H31 120.0 . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C28 120.0 . . ?
C32 C33 H33 120.0 . . ?
C28 C33 H33 120.0 . . ?
N1 C34 N2 102.2(9) . . ?
N1 C34 Ru1 130.2(8) . . ?
N2 C34 Ru1 127.6(8) . . ?
C36 C35 N1 106.5(11) . . ?
C36 C35 H35 126.7 . . ?
N1 C35 H35 126.7 . . ?
C35 C36 N2 108.8(11) . . ?
C35 C36 H36 125.6 . . ?
N2 C36 H36 125.6 . . ?
N1 C37 C38 112.6(9) . . ?
N1 C37 H37A 109.1 . . ?
C38 C37 H37A 109.1 . . ?
N1 C37 H37B 109.1 . . ?
C38 C37 H37B 109.1 . . ?
H37A C37 H37B 107.8 . . ?
C39 C38 C43 120.0 . . ?
C39 C38 C37 123.1(7) . . ?
C43 C38 C37 116.9(7) . . ?
C40 C39 C38 120.0 . . ?
C40 C39 H39 120.0 . . ?
C38 C39 H39 120.0 . . ?
C39 C40 C41 120.0 . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C42 C41 C40 120.0 . . ?
C42 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C41 C42 C43 120.0 . . ?
C41 C42 H42 120.0 . . ?
C43 C42 H42 120.0 . . ?
C42 C43 C38 120.0 . . ?
C42 C43 H43 120.0 . . ?
C38 C43 H43 120.0 . . ?
N2 C44 C45 112.8(8) . . ?
N2 C44 H44A 109.0 . . ?
C45 C44 H44A 109.0 . . ?
N2 C44 H44B 109.0 . . ?
C45 C44 H44B 109.0 . . ?
H44A C44 H44B 107.8 . . ?
C46 C45 C50 120.0 . . ?
C46 C45 C44 122.6(6) . . ?
C50 C45 C44 117.4(6) . . ?
C47 C46 C45 120.0 . . ?
C47 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
C46 C47 C48 120.0 . . ?
C46 C47 H47 120.0 . . ?
C48 C47 H47 120.0 . . ?
C49 C48 C47 120.0 . . ?
C49 C48 H48 120.0 . . ?
C47 C48 H48 120.0 . . ?
C48 C49 C50 120.0 . . ?
C48 C49 H49 120.0 . . ?
C50 C49 H49 120.0 . . ?
C49 C50 C45 120.0 . . ?
C49 C50 H50 120.0 . . ?
C45 C50 H50 120.0 . . ?
C34 N1 C35 111.7(9) . . ?
C34 N1 C37 126.0(10) . . ?
C35 N1 C37 122.2(10) . . ?
C34 N2 C36 110.7(9) . . ?
C34 N2 C44 125.0(9) . . ?
C36 N2 C44 124.2(10) . . ?
C17 O4 C20 116.7(9) . . ?
C24 O5 C27 117.8(8) . . ?
C2 Ru1 C1 87.1(4) . . ?
C2 Ru1 C34 92.5(4) . . ?
C1 Ru1 C34 98.5(4) . . ?
C2 Ru1 C6 101.6(4) . . ?
C1 Ru1 C6 117.6(4) . . ?
C34 Ru1 C6 141.6(3) . . ?
C2 Ru1 C5 133.1(4) . . ?
C1 Ru1 C5 94.9(4) . . ?
C34 Ru1 C5 133.0(3) . . ?
C6 Ru1 C5 37.6(3) . . ?
C2 Ru1 C4 162.7(4) . . ?
C1 Ru1 C4 106.5(4) . . ?
C34 Ru1 C4 95.9(3) . . ?
C6 Ru1 C4 62.9(3) . . ?
C5 Ru1 C4 37.2(3) . . ?
C2 Ru1 C7 100.7(4) . . ?
C1 Ru1 C7 154.9(4) . . ?
C34 Ru1 C7 104.8(4) . . ?
C6 Ru1 C7 37.7(3) . . ?
C5 Ru1 C7 62.4(3) . . ?
C4 Ru1 C7 62.6(3) . . ?
C2 Ru1 C3 130.5(4) . . ?
C1 Ru1 C3 142.4(4) . . ?
C34 Ru1 C3 83.3(3) . . ?
C6 Ru1 C3 60.3(3) . . ?
C5 Ru1 C3 60.0(3) . . ?
C4 Ru1 C3 36.6(3) . . ?
C7 Ru1 C3 35.7(3) . . ?

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
O3 C3 C4 C5 171.7(9) . . . . ?
C7 C3 C4 C5 -15.3(9) . . . . ?
Ru1 C3 C4 C5 -65.4(6) . . . . ?
O3 C3 C4 C8 6.3(14) . . . . ?
C7 C3 C4 C8 179.3(7) . . . . ?
Ru1 C3 C4 C8 129.2(8) . . . . ?
O3 C3 C4 Ru1 -122.9(9) . . . . ?
C7 C3 C4 Ru1 50.1(6) . . . . ?
C8 C4 C5 C6 177.0(7) . . . . ?
C3 C4 C5 C6 11.8(9) . . . . ?
Ru1 C4 C5 C6 -61.3(6) . . . . ?
C8 C4 C5 C14 8.8(14) . . . . ?
C3 C4 C5 C14 -156.3(7) . . . . ?
Ru1 C4 C5 C14 130.6(8) . . . . ?
C8 C4 C5 Ru1 -121.7(8) . . . . ?
C3 C4 C5 Ru1 73.1(6) . . . . ?
C4 C5 C6 C7 -3.1(9) . . . . ?
C14 C5 C6 C7 165.9(7) . . . . ?
Ru1 C5 C6 C7 -66.0(6) . . . . ?
C4 C5 C6 C21 -168.6(7) . . . . ?
C14 C5 C6 C21 0.4(12) . . . . ?
Ru1 C5 C6 C21 128.6(7) . . . . ?
C4 C5 C6 Ru1 62.9(6) . . . . ?
C14 C5 C6 Ru1 -128.1(7) . . . . ?
C5 C6 C7 C28 -170.8(7) . . . . ?
C21 C6 C7 C28 -5.6(13) . . . . ?
Ru1 C6 C7 C28 124.8(8) . . . . ?
C5 C6 C7 C3 -7.0(9) . . . . ?
C21 C6 C7 C3 158.2(7) . . . . ?
Ru1 C6 C7 C3 -71.4(6) . . . . ?
C5 C6 C7 Ru1 64.4(6) . . . . ?
C21 C6 C7 Ru1 -130.4(8) . . . . ?
O3 C3 C7 C6 -173.6(9) . . . . ?
C4 C3 C7 C6 13.5(9) . . . . ?
Ru1 C3 C7 C6 62.8(5) . . . . ?
O3 C3 C7 C28 -9.8(15) . . . . ?
C4 C3 C7 C28 177.3(7) . . . . ?
Ru1 C3 C7 C28 -133.4(8) . . . . ?
O3 C3 C7 Ru1 123.6(9) . . . . ?
C4 C3 C7 Ru1 -49.4(6) . . . . ?
C5 C4 C8 C9 -146.0(7) . . . . ?
C3 C4 C8 C9 16.8(10) . . . . ?
Ru1 C4 C8 C9 123.3(6) . . . . ?
C5 C4 C8 C13 35.3(10) . . . . ?
C3 C4 C8 C13 -161.9(6) . . . . ?
Ru1 C4 C8 C13 -55.4(8) . . . . ?
C13 C8 C9 C10 0.0 . . . . ?
C4 C8 C9 C10 -178.7(7) . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C11 C12 C13 C8 0.0 . . . . ?
C9 C8 C13 C12 0.0 . . . . ?
C4 C8 C13 C12 178.7(7) . . . . ?
C6 C5 C14 C15 -108.3(7) . . . . ?
C4 C5 C14 C15 58.5(10) . . . . ?
Ru1 C5 C14 C15 160.2(5) . . . . ?
C6 C5 C14 C19 65.4(9) . . . . ?
C4 C5 C14 C19 -127.8(8) . . . . ?
Ru1 C5 C14 C19 -26.2(10) . . . . ?
C19 C14 C15 C16 0.0 . . . . ?
C5 C14 C15 C16 173.9(6) . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C15 C16 C17 O4 177.7(7) . . . . ?
C15 C16 C17 C18 0.0 . . . . ?
O4 C17 C18 C19 -178.0(6) . . . . ?
C16 C17 C18 C19 0.0 . . . . ?
C17 C18 C19 C14 0.0 . . . . ?
C15 C14 C19 C18 0.0 . . . . ?
C5 C14 C19 C18 -173.4(6) . . . . ?
C5 C6 C21 C22 94.1(8) . . . . ?
C7 C6 C21 C22 -68.9(9) . . . . ?
Ru1 C6 C21 C22 -169.9(5) . . . . ?
C5 C6 C21 C26 -80.2(9) . . . . ?
C7 C6 C21 C26 116.7(7) . . . . ?
Ru1 C6 C21 C26 15.7(9) . . . . ?
C26 C21 C22 C23 0.0 . . . . ?
C6 C21 C22 C23 -174.5(6) . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C23 C24 O5 178.7(7) . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
O5 C24 C25 C26 -178.9(6) . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C25 C26 C21 0.0 . . . . ?
C22 C21 C26 C25 0.0 . . . . ?
C6 C21 C26 C25 174.2(6) . . . . ?
C6 C7 C28 C29 138.0(7) . . . . ?
C3 C7 C28 C29 -23.2(10) . . . . ?
Ru1 C7 C28 C29 -132.7(6) . . . . ?
C6 C7 C28 C33 -38.4(10) . . . . ?
C3 C7 C28 C33 160.4(7) . . . . ?
Ru1 C7 C28 C33 51.0(9) . . . . ?
C33 C28 C29 C30 0.0 . . . . ?
C7 C28 C29 C30 -176.4(6) . . . . ?
C28 C29 C30 C31 0.0 . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C31 C32 C33 0.0 . . . . ?
C31 C32 C33 C28 0.0 . . . . ?
C29 C28 C33 C32 0.0 . . . . ?
C7 C28 C33 C32 176.4(6) . . . . ?
N1 C35 C36 N2 -0.1(12) . . . . ?
N1 C37 C38 C39 9.7(11) . . . . ?
N1 C37 C38 C43 -172.3(7) . . . . ?
C43 C38 C39 C40 0.0 . . . . ?
C37 C38 C39 C40 177.9(8) . . . . ?
C38 C39 C40 C41 0.0 . . . . ?
C39 C40 C41 C42 0.0 . . . . ?
C40 C41 C42 C43 0.0 . . . . ?
C41 C42 C43 C38 0.0 . . . . ?
C39 C38 C43 C42 0.0 . . . . ?
C37 C38 C43 C42 -178.0(8) . . . . ?
N2 C44 C45 C46 28.9(12) . . . . ?
N2 C44 C45 C50 -152.8(7) . . . . ?
C50 C45 C46 C47 0.0 . . . . ?
C44 C45 C46 C47 178.2(9) . . . . ?
C45 C46 C47 C48 0.0 . . . . ?
C46 C47 C48 C49 0.0 . . . . ?
C47 C48 C49 C50 0.0 . . . . ?
C48 C49 C50 C45 0.0 . . . . ?
C46 C45 C50 C49 0.0 . . . . ?
C44 C45 C50 C49 -178.3(8) . . . . ?
N2 C34 N1 C35 -1.0(10) . . . . ?
Ru1 C34 N1 C35 -179.0(7) . . . . ?
N2 C34 N1 C37 -177.8(9) . . . . ?
Ru1 C34 N1 C37 4.3(14) . . . . ?
C36 C35 N1 C34 0.7(12) . . . . ?
C36 C35 N1 C37 177.6(9) . . . . ?
C38 C37 N1 C34 91.4(11) . . . . ?
C38 C37 N1 C35 -85.0(11) . . . . ?
N1 C34 N2 C36 0.9(10) . . . . ?
Ru1 C34 N2 C36 179.0(6) . . . . ?
N1 C34 N2 C44 -178.0(8) . . . . ?
Ru1 C34 N2 C44 0.1(13) . . . . ?
C35 C36 N2 C34 -0.6(12) . . . . ?
C35 C36 N2 C44 178.3(9) . . . . ?
C45 C44 N2 C34 -121.2(9) . . . . ?
C45 C44 N2 C36 60.1(13) . . . . ?
C18 C17 O4 C20 -164.0(9) . . . . ?
C16 C17 O4 C20 18.2(12) . . . . ?
C23 C24 O5 C27 -5.6(11) . . . . ?
C25 C24 O5 C27 173.2(8) . . . . ?
O2 C2 Ru1 C1 167(21) . . . . ?
O2 C2 Ru1 C34 -95(21) . . . . ?
O2 C2 Ru1 C6 49(21) . . . . ?
O2 C2 Ru1 C5 73(21) . . . . ?
O2 C2 Ru1 C4 24(22) . . . . ?
O2 C2 Ru1 C7 11(21) . . . . ?
O2 C2 Ru1 C3 -11(21) . . . . ?
O1 C1 Ru1 C2 -105(9) . . . . ?
O1 C1 Ru1 C34 163(9) . . . . ?
O1 C1 Ru1 C6 -3(9) . . . . ?
O1 C1 Ru1 C5 28(9) . . . . ?
O1 C1 Ru1 C4 64(9) . . . . ?
O1 C1 Ru1 C7 4(10) . . . . ?
O1 C1 Ru1 C3 73(9) . . . . ?
N1 C34 Ru1 C2 -122.3(9) . . . . ?
N2 C34 Ru1 C2 60.2(8) . . . . ?
N1 C34 Ru1 C1 -34.9(9) . . . . ?
N2 C34 Ru1 C1 147.6(8) . . . . ?
N1 C34 Ru1 C6 125.5(8) . . . . ?
N2 C34 Ru1 C6 -52.0(10) . . . . ?
N1 C34 Ru1 C5 70.1(10) . . . . ?
N2 C34 Ru1 C5 -107.4(8) . . . . ?
N1 C34 Ru1 C4 72.8(9) . . . . ?
N2 C34 Ru1 C4 -104.7(8) . . . . ?
N1 C34 Ru1 C7 136.0(8) . . . . ?
N2 C34 Ru1 C7 -41.5(8) . . . . ?
N1 C34 Ru1 C3 107.2(9) . . . . ?
N2 C34 Ru1 C3 -70.3(8) . . . . ?
C5 C6 Ru1 C2 151.4(5) . . . . ?
C7 C6 Ru1 C2 -92.5(6) . . . . ?
C21 C6 Ru1 C2 31.4(8) . . . . ?
C5 C6 Ru1 C1 58.7(6) . . . . ?
C7 C6 Ru1 C1 174.7(5) . . . . ?
C21 C6 Ru1 C1 -61.4(8) . . . . ?
C5 C6 Ru1 C34 -99.3(7) . . . . ?
C7 C6 Ru1 C34 16.7(8) . . . . ?
C21 C6 Ru1 C34 140.6(7) . . . . ?
C7 C6 Ru1 C5 116.1(7) . . . . ?
C21 C6 Ru1 C5 -120.0(9) . . . . ?
C5 C6 Ru1 C4 -36.6(4) . . . . ?
C7 C6 Ru1 C4 79.4(5) . . . . ?
C21 C6 Ru1 C4 -156.7(8) . . . . ?
C5 C6 Ru1 C7 -116.1(7) . . . . ?
C21 C6 Ru1 C7 123.9(10) . . . . ?
C5 C6 Ru1 C3 -78.3(5) . . . . ?
C7 C6 Ru1 C3 37.7(5) . . . . ?
C21 C6 Ru1 C3 161.6(8) . . . . ?
C6 C5 Ru1 C2 -40.0(7) . . . . ?
C4 C5 Ru1 C2 -158.5(6) . . . . ?
C14 C5 Ru1 C2 75.5(9) . . . . ?
C6 C5 Ru1 C1 -130.5(5) . . . . ?
C4 C5 Ru1 C1 110.9(5) . . . . ?
C14 C5 Ru1 C1 -15.1(8) . . . . ?
C6 C5 Ru1 C34 122.9(6) . . . . ?
C4 C5 Ru1 C34 4.4(7) . . . . ?
C14 C5 Ru1 C34 -121.6(8) . . . . ?
C4 C5 Ru1 C6 -118.5(7) . . . . ?
C14 C5 Ru1 C6 115.5(10) . . . . ?
C6 C5 Ru1 C4 118.5(7) . . . . ?
C14 C5 Ru1 C4 -126.0(10) . . . . ?
C6 C5 Ru1 C7 38.3(5) . . . . ?
C4 C5 Ru1 C7 -80.2(5) . . . . ?
C14 C5 Ru1 C7 153.8(9) . . . . ?
C6 C5 Ru1 C3 79.2(5) . . . . ?
C4 C5 Ru1 C3 -39.3(4) . . . . ?
C14 C5 Ru1 C3 -165.3(9) . . . . ?
C5 C4 Ru1 C2 64.5(15) . . . . ?
C8 C4 Ru1 C2 -175.3(12) . . . . ?
C3 C4 Ru1 C2 -48.4(15) . . . . ?
C5 C4 Ru1 C1 -76.0(6) . . . . ?
C8 C4 Ru1 C1 44.1(8) . . . . ?
C3 C4 Ru1 C1 171.1(5) . . . . ?
C5 C4 Ru1 C34 -176.7(5) . . . . ?
C8 C4 Ru1 C34 -56.6(7) . . . . ?
C3 C4 Ru1 C34 70.3(6) . . . . ?
C5 C4 Ru1 C6 37.0(4) . . . . ?
C8 C4 Ru1 C6 157.2(8) . . . . ?
C3 C4 Ru1 C6 -75.9(5) . . . . ?
C8 C4 Ru1 C5 120.1(9) . . . . ?
C3 C4 Ru1 C5 -112.9(7) . . . . ?
C5 C4 Ru1 C7 79.6(5) . . . . ?
C8 C4 Ru1 C7 -160.3(8) . . . . ?
C3 C4 Ru1 C7 -33.3(5) . . . . ?
C5 C4 Ru1 C3 112.9(7) . . . . ?
C8 C4 Ru1 C3 -126.9(9) . . . . ?
C6 C7 Ru1 C2 95.2(6) . . . . ?
C28 C7 Ru1 C2 -22.3(8) . . . . ?
C3 C7 Ru1 C2 -150.4(6) . . . . ?
C6 C7 Ru1 C1 -11.1(11) . . . . ?
C28 C7 Ru1 C1 -128.6(9) . . . . ?
C3 C7 Ru1 C1 103.3(9) . . . . ?
C6 C7 Ru1 C34 -169.3(5) . . . . ?
C28 C7 Ru1 C34 73.2(8) . . . . ?
C3 C7 Ru1 C34 -54.9(6) . . . . ?
C28 C7 Ru1 C6 -117.5(10) . . . . ?
C3 C7 Ru1 C6 114.4(8) . . . . ?
C6 C7 Ru1 C5 -38.2(5) . . . . ?
C28 C7 Ru1 C5 -155.6(9) . . . . ?
C3 C7 Ru1 C5 76.2(6) . . . . ?
C6 C7 Ru1 C4 -80.3(5) . . . . ?
C28 C7 Ru1 C4 162.2(9) . . . . ?
C3 C7 Ru1 C4 34.1(5) . . . . ?
C6 C7 Ru1 C3 -114.4(8) . . . . ?
C28 C7 Ru1 C3 128.1(10) . . . . ?
O3 C3 Ru1 C2 -79.7(10) . . . . ?
C7 C3 Ru1 C2 39.6(8) . . . . ?
C4 C3 Ru1 C2 163.0(6) . . . . ?
O3 C3 Ru1 C1 103.1(9) . . . . ?
C7 C3 Ru1 C1 -137.5(6) . . . . ?
C4 C3 Ru1 C1 -14.1(8) . . . . ?
O3 C3 Ru1 C34 7.8(8) . . . . ?
C7 C3 Ru1 C34 127.2(6) . . . . ?
C4 C3 Ru1 C34 -109.4(6) . . . . ?
O3 C3 Ru1 C6 -159.2(9) . . . . ?
C7 C3 Ru1 C6 -39.8(5) . . . . ?
C4 C3 Ru1 C6 83.6(5) . . . . ?
O3 C3 Ru1 C5 157.2(9) . . . . ?
C7 C3 Ru1 C5 -83.4(6) . . . . ?
C4 C3 Ru1 C5 40.0(5) . . . . ?
O3 C3 Ru1 C4 117.2(10) . . . . ?
C7 C3 Ru1 C4 -123.4(8) . . . . ?
O3 C3 Ru1 C7 -119.4(11) . . . . ?
C4 C3 Ru1 C7 123.4(8) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        23.53
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.638
_refine_diff_density_min         -0.600
_refine_diff_density_rms         0.079
_database_code_depnum_ccdc_archive 'CCDC 1016380'
#######################################################################
#
#                 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_4d

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39.50 H35 Cl N2 O6 Ru'
_chemical_formula_weight         770.22

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'
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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   24.188(4)
_cell_length_b                   14.213(3)
_cell_length_c                   24.171(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 117.822(2)
_cell_angle_gamma                90.00
_cell_volume                     7349(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    9898
_cell_measurement_theta_min      2.213
_cell_measurement_theta_max      27.872

_exptl_crystal_description       prism
_exptl_crystal_colour            pale-yellow
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3160
_exptl_absorpt_coefficient_mu    0.547
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.8799
_exptl_absorpt_correction_T_max  0.9079
_exptl_absorpt_process_details   
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.0952 selected reflections only, before parameter refinement)
 R(int) = 0.0491 (selected reflections only, after parameter refinement)
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      294(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            30056
_diffrn_reflns_av_R_equivalents  0.0324
_diffrn_reflns_av_unetaI/netI    0.0250
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.72
_diffrn_reflns_theta_max         25.02
_reflns_number_total             6287
_reflns_number_gt                5151
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1996)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. The following restraints
 were applied (given as SHELXL lines):  
 DFIX 0.89 0.02 O6 H6
 simu .01 $c
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0615P)²+6.9051P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6287
_refine_ls_number_parameters     450
_refine_ls_number_restraints     211
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0327
_refine_ls_wR_factor_ref         0.1060
_refine_ls_wR_factor_gt          0.0935
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.002
_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 0.203343(11) 0.804910(15) 0.156680(11) 0.03697(10) Uani 1 1 d . . .
C1 C 0.22851(16) 0.9241(2) 0.19431(16) 0.0512(8) Uani 1 1 d . . .
C2 C 0.12370(18) 0.8544(2) 0.10435(17) 0.0570(9) Uani 1 1 d . . .
C3 C 0.26164(13) 0.65459(19) 0.18206(13) 0.0374(6) Uani 1 1 d U . .
C4 C 0.19316(12) 0.64621(19) 0.14711(13) 0.0347(6) Uani 1 1 d U . .
C5 C 0.16759(13) 0.68161(18) 0.18644(13) 0.0348(6) Uani 1 1 d U . .
C6 C 0.21652(13) 0.72556(19) 0.23994(13) 0.0357(6) Uani 1 1 d U . .
C7 C 0.27440(13) 0.71367(19) 0.23627(13) 0.0370(6) Uani 1 1 d U . .
C8 C 0.15916(13) 0.58726(19) 0.09089(13) 0.0359(6) Uani 1 1 d U . .
C9 C 0.18721(14) 0.5072(2) 0.08217(14) 0.0420(7) Uani 1 1 d U . .
H9 H 0.2284 0.4934 0.1108 0.050 Uiso 1 1 calc R . .
C10 C 0.15539(16) 0.4481(2) 0.03213(15) 0.0515(8) Uani 1 1 d U . .
H10 H 0.1753 0.3951 0.0273 0.062 Uiso 1 1 calc R . .
C11 C 0.09425(16) 0.4665(2) -0.01094(15) 0.0543(8) Uani 1 1 d U . .
H11 H 0.0726 0.4258 -0.0443 0.065 Uiso 1 1 calc R . .
C12 C 0.06583(15) 0.5458(2) -0.00372(14) 0.0505(8) Uani 1 1 d U . .
H12 H 0.0248 0.5594 -0.0329 0.061 Uiso 1 1 calc R . .
C13 C 0.09745(14) 0.6057(2) 0.04634(14) 0.0440(7) Uani 1 1 d U . .
H13 H 0.0774 0.6590 0.0505 0.053 Uiso 1 1 calc R . .
C14 C 0.33749(14) 0.7333(2) 0.28855(14) 0.0425(7) Uani 1 1 d U . .
C15 C 0.35061(15) 0.8124(2) 0.32639(15) 0.0468(7) Uani 1 1 d U . .
H15 H 0.3194 0.8569 0.3176 0.056 Uiso 1 1 calc R . .
C16 C 0.40873(17) 0.8266(3) 0.37666(18) 0.0614(9) Uani 1 1 d U . .
H16 H 0.4162 0.8798 0.4015 0.074 Uiso 1 1 calc R . .
C17 C 0.45533(19) 0.7624(3) 0.3900(2) 0.0880(13) Uani 1 1 d U . .
H17 H 0.4948 0.7722 0.4234 0.106 Uiso 1 1 calc R . .
C18 C 0.4432(2) 0.6829(3) 0.3534(2) 0.0953(16) Uani 1 1 d U . .
H18 H 0.4747 0.6387 0.3628 0.114 Uiso 1 1 calc R . .
C19 C 0.38528(18) 0.6679(3) 0.30321(19) 0.0698(11) Uani 1 1 d U . .
H19 H 0.3780 0.6139 0.2790 0.084 Uiso 1 1 calc R . .
C20 C 0.10519(13) 0.65488(19) 0.18016(13) 0.0354(6) Uani 1 1 d U . .
C21 C 0.09479(13) 0.5591(2) 0.18388(14) 0.0401(6) Uani 1 1 d U . .
H21 H 0.1257 0.5161 0.1887 0.048 Uiso 1 1 calc R . .
C22 C 0.03985(14) 0.5269(2) 0.18052(14) 0.0435(7) Uani 1 1 d U . .
H22 H 0.0341 0.4627 0.1833 0.052 Uiso 1 1 calc R . .
C23 C -0.00683(13) 0.5890(2) 0.17300(13) 0.0401(6) Uani 1 1 d U . .
C24 C 0.00246(15) 0.6841(2) 0.16997(16) 0.0445(7) Uani 1 1 d U . .
H24 H -0.0285 0.7268 0.1655 0.053 Uiso 1 1 calc R . .
C25 C 0.05842(14) 0.7160(2) 0.17360(15) 0.0438(7) Uani 1 1 d U . .
H25 H 0.0644 0.7803 0.1715 0.053 Uiso 1 1 calc R . .
C26 C -0.11183(16) 0.6114(3) 0.15434(19) 0.0624(9) Uani 1 1 d . . .
H26A H -0.1465 0.5760 0.1523 0.094 Uiso 1 1 calc R . .
H26B H -0.1237 0.6413 0.1148 0.094 Uiso 1 1 calc R . .
H26C H -0.0999 0.6584 0.1864 0.094 Uiso 1 1 calc R . .
C27 C 0.21036(13) 0.7611(2) 0.29499(13) 0.0391(6) Uani 1 1 d U . .
C28 C 0.17257(16) 0.8370(2) 0.29067(15) 0.0479(7) Uani 1 1 d U . .
H28 H 0.1517 0.8687 0.2528 0.058 Uiso 1 1 calc R . .
C29 C 0.16505(17) 0.8668(2) 0.34179(17) 0.0568(8) Uani 1 1 d U . .
H29 H 0.1395 0.9179 0.3381 0.068 Uiso 1 1 calc R . .
C30 C 0.19570(18) 0.8200(3) 0.39721(17) 0.0597(9) Uani 1 1 d U . .
C31 C 0.23427(17) 0.7449(3) 0.40284(16) 0.0579(9) Uani 1 1 d U . .
H31 H 0.2555 0.7138 0.4409 0.070 Uiso 1 1 calc R . .
C32 C 0.24138(15) 0.7161(2) 0.35230(15) 0.0466(7) Uani 1 1 d U . .
H32 H 0.2674 0.6655 0.3566 0.056 Uiso 1 1 calc R . .
C33 C 0.1499(3) 0.9160(5) 0.4463(3) 0.139(3) Uani 1 1 d . . .
H33A H 0.1515 0.9252 0.4864 0.209 Uiso 1 1 calc R . .
H33B H 0.1081 0.8993 0.4161 0.209 Uiso 1 1 calc R . .
H33C H 0.1618 0.9731 0.4335 0.209 Uiso 1 1 calc R . .
C34 C 0.24140(15) 0.8345(2) 0.09501(15) 0.0457(7) Uani 1 1 d . . .
C35 C 0.2515(2) 0.8688(3) 0.0091(2) 0.0705(11) Uani 1 1 d U . .
H35 H 0.2413 0.8788 -0.0326 0.085 Uiso 1 1 calc R . .
C36 C 0.3074(2) 0.8779(3) 0.0579(2) 0.0704(11) Uani 1 1 d U . .
H36 H 0.3439 0.8954 0.0568 0.084 Uiso 1 1 calc R . .
C37 C 0.14476(19) 0.8250(3) -0.00922(17) 0.0680(10) Uani 1 1 d . . .
H37A H 0.1358 0.8349 -0.0519 0.102 Uiso 1 1 calc R . .
H37B H 0.1204 0.8678 0.0013 0.102 Uiso 1 1 calc R . .
H37C H 0.1345 0.7615 -0.0041 0.102 Uiso 1 1 calc R . .
C38 C 0.35382(17) 0.8569(3) 0.17415(18) 0.0613(9) Uani 1 1 d U . .
H38A H 0.3395 0.8321 0.2027 0.074 Uiso 1 1 calc R . .
H38B H 0.3670 0.9214 0.1863 0.074 Uiso 1 1 calc R . .
C39 C 0.40980(19) 0.7997(3) 0.1812(2) 0.0738(11) Uani 1 1 d U . .
H39A H 0.4286 0.8312 0.1584 0.089 Uiso 1 1 calc R . .
H39B H 0.4406 0.7988 0.2250 0.089 Uiso 1 1 calc R . .
N1 N 0.21083(14) 0.8417(2) 0.03172(13) 0.0552(7) Uani 1 1 d . . .
N2 N 0.30156(13) 0.85654(19) 0.11090(14) 0.0542(7) Uani 1 1 d . . .
O1 O 0.24399(15) 0.99516(18) 0.21848(15) 0.0867(9) Uani 1 1 d . . .
O2 O 0.07416(14) 0.8837(3) 0.07615(15) 0.0984(11) Uani 1 1 d . . .
O3 O 0.30043(9) 0.62291(15) 0.16570(10) 0.0475(5) Uani 1 1 d . . .
O4 O -0.06042(10) 0.54962(15) 0.16854(11) 0.0523(5) Uani 1 1 d . . .
O5 O 0.19162(16) 0.8427(3) 0.45061(13) 0.0943(10) Uani 1 1 d . . .
O6 O 0.39602(13) 0.7063(2) 0.15972(13) 0.0688(7) Uani 1 1 d D . .
H6 H 0.3675(18) 0.680(3) 0.167(2) 0.103 Uiso 1 1 d D . .
C101 C 0.5000 0.5355(5) 0.2500 0.110(2) Uani 1 2 d S . .
H10A H 0.4640 0.5755 0.2268 0.132 Uiso 0.50 1 calc PR . .
H10B H 0.5360 0.5755 0.2732 0.132 Uiso 0.50 1 calc PR . .
Cl1 Cl 0.48680(9) 0.46520(12) 0.30252(10) 0.1345(6) Uani 1 1 d . . .


_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 C2 1.879(4) . ?
Ru1 C1 1.884(3) . ?
Ru1 C34 2.128(3) . ?
Ru1 C6 2.197(3) . ?
Ru1 C5 2.217(3) . ?
Ru1 C4 2.269(3) . ?
Ru1 C7 2.291(3) . ?
Ru1 C3 2.474(3) . ?
C1 O1 1.139(4) . ?
C2 O2 1.145(4) . ?
C3 O3 1.259(3) . ?
C3 C7 1.463(4) . ?
C3 C4 1.472(4) . ?
C4 C5 1.445(4) . ?
C4 C8 1.477(4) . ?
C5 C6 1.426(4) . ?
C5 C20 1.494(4) . ?
C6 C7 1.453(4) . ?
C6 C27 1.495(4) . ?
C7 C14 1.484(4) . ?
C8 C9 1.390(4) . ?
C8 C13 1.398(4) . ?
C9 C10 1.376(4) . ?
C9 H9 0.9300 . ?
C10 C11 1.379(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.374(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.381(4) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.390(4) . ?
C14 C19 1.394(5) . ?
C15 C16 1.378(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.366(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.380(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.376(6) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C25 1.376(4) . ?
C20 C21 1.395(4) . ?
C21 C22 1.371(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.377(4) . ?
C22 H22 0.9300 . ?
C23 O4 1.369(3) . ?
C23 C24 1.378(4) . ?
C24 C25 1.391(4) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 O4 1.427(4) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.385(4) . ?
C27 C32 1.386(4) . ?
C28 C29 1.396(4) . ?
C28 H28 0.9300 . ?
C29 C30 1.364(5) . ?
C29 H29 0.9300 . ?
C30 O5 1.378(4) . ?
C30 C31 1.382(5) . ?
C31 C32 1.373(4) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 O5 1.421(6) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 N2 1.357(4) . ?
C34 N1 1.357(4) . ?
C35 C36 1.322(6) . ?
C35 N1 1.384(4) . ?
C35 H35 0.9300 . ?
C36 N2 1.387(4) . ?
C36 H36 0.9300 . ?
C37 N1 1.454(5) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 N2 1.460(5) . ?
C38 C39 1.519(5) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 O6 1.407(5) . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
O6 H6 0.873(19) . ?
C101 Cl1 1.758(4) 2_655 ?
C101 Cl1 1.758(4) . ?
C101 H10A 0.9700 . ?
C101 H10B 0.9700 . ?

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
C2 Ru1 C1 89.26(15) . . ?
C2 Ru1 C34 95.57(14) . . ?
C1 Ru1 C34 90.72(13) . . ?
C2 Ru1 C6 118.28(12) . . ?
C1 Ru1 C6 98.23(12) . . ?
C34 Ru1 C6 144.90(11) . . ?
C2 Ru1 C5 94.69(13) . . ?
C1 Ru1 C5 129.86(12) . . ?
C34 Ru1 C5 138.18(11) . . ?
C6 Ru1 C5 37.71(11) . . ?
C2 Ru1 C4 105.97(13) . . ?
C1 Ru1 C4 159.73(12) . . ?
C34 Ru1 C4 100.78(10) . . ?
C6 Ru1 C4 62.96(10) . . ?
C5 Ru1 C4 37.55(9) . . ?
C2 Ru1 C7 155.31(12) . . ?
C1 Ru1 C7 99.02(12) . . ?
C34 Ru1 C7 107.46(11) . . ?
C6 Ru1 C7 37.71(10) . . ?
C5 Ru1 C7 62.20(10) . . ?
C4 Ru1 C7 61.72(10) . . ?
C2 Ru1 C3 140.96(13) . . ?
C1 Ru1 C3 129.66(13) . . ?
C34 Ru1 C3 87.81(10) . . ?
C6 Ru1 C3 60.48(9) . . ?
C5 Ru1 C3 60.03(9) . . ?
C4 Ru1 C3 35.82(9) . . ?
C7 Ru1 C3 35.49(10) . . ?
O1 C1 Ru1 178.3(3) . . ?
O2 C2 Ru1 174.8(3) . . ?
O3 C3 C7 127.6(3) . . ?
O3 C3 C4 126.5(2) . . ?
C7 C3 C4 105.7(2) . . ?
O3 C3 Ru1 130.7(2) . . ?
C7 C3 Ru1 65.42(15) . . ?
C4 C3 Ru1 64.47(15) . . ?
C5 C4 C3 107.9(2) . . ?
C5 C4 C8 125.3(2) . . ?
C3 C4 C8 124.6(2) . . ?
C5 C4 Ru1 69.28(15) . . ?
C3 C4 Ru1 79.71(16) . . ?
C8 C4 Ru1 130.16(19) . . ?
C6 C5 C4 108.7(2) . . ?
C6 C5 C20 125.1(2) . . ?
C4 C5 C20 124.5(2) . . ?
C6 C5 Ru1 70.35(15) . . ?
C4 C5 Ru1 73.17(15) . . ?
C20 C5 Ru1 134.15(19) . . ?
C5 C6 C7 108.0(2) . . ?
C5 C6 C27 124.8(2) . . ?
C7 C6 C27 126.4(3) . . ?
C5 C6 Ru1 71.94(15) . . ?
C7 C6 Ru1 74.68(15) . . ?
C27 C6 Ru1 127.58(19) . . ?
C6 C7 C3 108.4(2) . . ?
C6 C7 C14 124.3(3) . . ?
C3 C7 C14 125.0(2) . . ?
C6 C7 Ru1 67.61(15) . . ?
C3 C7 Ru1 79.10(17) . . ?
C14 C7 Ru1 132.7(2) . . ?
C9 C8 C13 117.2(3) . . ?
C9 C8 C4 120.1(3) . . ?
C13 C8 C4 122.6(3) . . ?
C10 C9 C8 121.4(3) . . ?
C10 C9 H9 119.3 . . ?
C8 C9 H9 119.3 . . ?
C9 C10 C11 120.7(3) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.7 . . ?
C12 C11 C10 118.9(3) . . ?
C12 C11 H11 120.5 . . ?
C10 C11 H11 120.5 . . ?
C11 C12 C13 120.8(3) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C12 C13 C8 121.0(3) . . ?
C12 C13 H13 119.5 . . ?
C8 C13 H13 119.5 . . ?
C15 C14 C19 117.7(3) . . ?
C15 C14 C7 122.7(3) . . ?
C19 C14 C7 119.5(3) . . ?
C16 C15 C14 121.6(3) . . ?
C16 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
C17 C16 C15 120.0(3) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C17 C18 119.4(4) . . ?
C16 C17 H17 120.3 . . ?
C18 C17 H17 120.3 . . ?
C19 C18 C17 121.1(4) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C18 C19 C14 120.2(4) . . ?
C18 C19 H19 119.9 . . ?
C14 C19 H19 119.9 . . ?
C25 C20 C21 117.4(3) . . ?
C25 C20 C5 126.0(3) . . ?
C21 C20 C5 116.5(2) . . ?
C22 C21 C20 121.4(3) . . ?
C22 C21 H21 119.3 . . ?
C20 C21 H21 119.3 . . ?
C21 C22 C23 120.4(3) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
O4 C23 C22 115.8(3) . . ?
O4 C23 C24 124.7(3) . . ?
C22 C23 C24 119.5(3) . . ?
C23 C24 C25 119.6(3) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
C20 C25 C24 121.7(3) . . ?
C20 C25 H25 119.2 . . ?
C24 C25 H25 119.2 . . ?
O4 C26 H26A 109.5 . . ?
O4 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O4 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C32 117.7(3) . . ?
C28 C27 C6 122.2(3) . . ?
C32 C27 C6 120.1(3) . . ?
C27 C28 C29 121.6(3) . . ?
C27 C28 H28 119.2 . . ?
C29 C28 H28 119.2 . . ?
C30 C29 C28 119.0(3) . . ?
C30 C29 H29 120.5 . . ?
C28 C29 H29 120.5 . . ?
C29 C30 O5 124.2(3) . . ?
C29 C30 C31 120.4(3) . . ?
O5 C30 C31 115.4(3) . . ?
C32 C31 C30 120.1(3) . . ?
C32 C31 H31 119.9 . . ?
C30 C31 H31 119.9 . . ?
C31 C32 C27 121.1(3) . . ?
C31 C32 H32 119.4 . . ?
C27 C32 H32 119.4 . . ?
O5 C33 H33A 109.5 . . ?
O5 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
O5 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N2 C34 N1 104.5(3) . . ?
N2 C34 Ru1 127.2(2) . . ?
N1 C34 Ru1 128.2(2) . . ?
C36 C35 N1 107.1(3) . . ?
C36 C35 H35 126.4 . . ?
N1 C35 H35 126.4 . . ?
C35 C36 N2 107.5(3) . . ?
C35 C36 H36 126.3 . . ?
N2 C36 H36 126.3 . . ?
N1 C37 H37A 109.5 . . ?
N1 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
N1 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N2 C38 C39 114.0(3) . . ?
N2 C38 H38A 108.8 . . ?
C39 C38 H38A 108.8 . . ?
N2 C38 H38B 108.8 . . ?
C39 C38 H38B 108.8 . . ?
H38A C38 H38B 107.7 . . ?
O6 C39 C38 114.7(3) . . ?
O6 C39 H39A 108.6 . . ?
C38 C39 H39A 108.6 . . ?
O6 C39 H39B 108.6 . . ?
C38 C39 H39B 108.6 . . ?
H39A C39 H39B 107.6 . . ?
C34 N1 C35 110.6(3) . . ?
C34 N1 C37 127.1(3) . . ?
C35 N1 C37 122.3(3) . . ?
C34 N2 C36 110.3(3) . . ?
C34 N2 C38 126.0(3) . . ?
C36 N2 C38 123.8(3) . . ?
C23 O4 C26 117.0(2) . . ?
C30 O5 C33 117.5(4) . . ?
C39 O6 H6 113(3) . . ?
Cl1 C101 Cl1 110.8(4) 2_655 . ?
Cl1 C101 H10A 109.5 2_655 . ?
Cl1 C101 H10A 109.5 . . ?
Cl1 C101 H10B 109.5 2_655 . ?
Cl1 C101 H10B 109.5 . . ?
H10A C101 H10B 108.1 . . ?

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
C2 Ru1 C1 O1 119(11) . . . . ?
C34 Ru1 C1 O1 -146(11) . . . . ?
C6 Ru1 C1 O1 0(11) . . . . ?
C5 Ru1 C1 O1 23(11) . . . . ?
C4 Ru1 C1 O1 -21(11) . . . . ?
C7 Ru1 C1 O1 -38(11) . . . . ?
C3 Ru1 C1 O1 -58(11) . . . . ?
C1 Ru1 C2 O2 -81(4) . . . . ?
C34 Ru1 C2 O2 -172(4) . . . . ?
C6 Ru1 C2 O2 18(4) . . . . ?
C5 Ru1 C2 O2 49(4) . . . . ?
C4 Ru1 C2 O2 85(4) . . . . ?
C7 Ru1 C2 O2 29(4) . . . . ?
C3 Ru1 C2 O2 95(4) . . . . ?
C2 Ru1 C3 O3 101.5(3) . . . . ?
C1 Ru1 C3 O3 -83.7(3) . . . . ?
C34 Ru1 C3 O3 5.4(3) . . . . ?
C6 Ru1 C3 O3 -158.9(3) . . . . ?
C5 Ru1 C3 O3 157.4(3) . . . . ?
C4 Ru1 C3 O3 117.3(3) . . . . ?
C7 Ru1 C3 O3 -119.4(3) . . . . ?
C2 Ru1 C3 C7 -139.0(2) . . . . ?
C1 Ru1 C3 C7 35.7(2) . . . . ?
C34 Ru1 C3 C7 124.81(17) . . . . ?
C6 Ru1 C3 C7 -39.48(16) . . . . ?
C5 Ru1 C3 C7 -83.18(17) . . . . ?
C4 Ru1 C3 C7 -123.3(2) . . . . ?
C2 Ru1 C3 C4 -15.8(3) . . . . ?
C1 Ru1 C3 C4 158.98(17) . . . . ?
C34 Ru1 C3 C4 -111.90(16) . . . . ?
C6 Ru1 C3 C4 83.80(16) . . . . ?
C5 Ru1 C3 C4 40.10(15) . . . . ?
C7 Ru1 C3 C4 123.3(2) . . . . ?
O3 C3 C4 C5 172.7(3) . . . . ?
C7 C3 C4 C5 -12.0(3) . . . . ?
Ru1 C3 C4 C5 -64.13(18) . . . . ?
O3 C3 C4 C8 9.0(4) . . . . ?
C7 C3 C4 C8 -175.7(2) . . . . ?
Ru1 C3 C4 C8 132.2(3) . . . . ?
O3 C3 C4 Ru1 -123.1(3) . . . . ?
C7 C3 C4 Ru1 52.16(19) . . . . ?
C2 Ru1 C4 C5 -76.54(19) . . . . ?
C1 Ru1 C4 C5 60.9(4) . . . . ?
C34 Ru1 C4 C5 -175.60(17) . . . . ?
C6 Ru1 C4 C5 37.48(16) . . . . ?
C7 Ru1 C4 C5 80.26(17) . . . . ?
C3 Ru1 C4 C5 113.7(2) . . . . ?
C2 Ru1 C4 C3 169.75(17) . . . . ?
C1 Ru1 C4 C3 -52.8(4) . . . . ?
C34 Ru1 C4 C3 70.70(17) . . . . ?
C6 Ru1 C4 C3 -76.22(16) . . . . ?
C5 Ru1 C4 C3 -113.7(2) . . . . ?
C7 Ru1 C4 C3 -33.44(15) . . . . ?
C2 Ru1 C4 C8 42.7(3) . . . . ?
C1 Ru1 C4 C8 -179.9(3) . . . . ?
C34 Ru1 C4 C8 -56.4(2) . . . . ?
C6 Ru1 C4 C8 156.7(3) . . . . ?
C5 Ru1 C4 C8 119.2(3) . . . . ?
C7 Ru1 C4 C8 -160.5(3) . . . . ?
C3 Ru1 C4 C8 -127.1(3) . . . . ?
C3 C4 C5 C6 9.4(3) . . . . ?
C8 C4 C5 C6 173.0(3) . . . . ?
Ru1 C4 C5 C6 -61.77(18) . . . . ?
C3 C4 C5 C20 -156.3(3) . . . . ?
C8 C4 C5 C20 7.2(4) . . . . ?
Ru1 C4 C5 C20 132.5(3) . . . . ?
C3 C4 C5 Ru1 71.18(19) . . . . ?
C8 C4 C5 Ru1 -125.2(3) . . . . ?
C2 Ru1 C5 C6 -132.15(18) . . . . ?
C1 Ru1 C5 C6 -39.2(2) . . . . ?
C34 Ru1 C5 C6 124.1(2) . . . . ?
C4 Ru1 C5 C6 117.6(2) . . . . ?
C7 Ru1 C5 C6 38.72(15) . . . . ?
C3 Ru1 C5 C6 79.39(17) . . . . ?
C2 Ru1 C5 C4 110.26(18) . . . . ?
C1 Ru1 C5 C4 -156.78(18) . . . . ?
C34 Ru1 C5 C4 6.5(3) . . . . ?
C6 Ru1 C5 C4 -117.6(2) . . . . ?
C7 Ru1 C5 C4 -78.87(17) . . . . ?
C3 Ru1 C5 C4 -38.21(15) . . . . ?
C2 Ru1 C5 C20 -11.9(3) . . . . ?
C1 Ru1 C5 C20 81.1(3) . . . . ?
C34 Ru1 C5 C20 -115.6(3) . . . . ?
C6 Ru1 C5 C20 120.3(3) . . . . ?
C4 Ru1 C5 C20 -122.1(3) . . . . ?
C7 Ru1 C5 C20 159.0(3) . . . . ?
C3 Ru1 C5 C20 -160.3(3) . . . . ?
C4 C5 C6 C7 -3.0(3) . . . . ?
C20 C5 C6 C7 162.7(2) . . . . ?
Ru1 C5 C6 C7 -66.54(19) . . . . ?
C4 C5 C6 C27 -172.8(3) . . . . ?
C20 C5 C6 C27 -7.1(4) . . . . ?
Ru1 C5 C6 C27 123.7(3) . . . . ?
C4 C5 C6 Ru1 63.56(19) . . . . ?
C20 C5 C6 Ru1 -130.8(3) . . . . ?
C2 Ru1 C6 C5 57.0(2) . . . . ?
C1 Ru1 C6 C5 150.65(17) . . . . ?
C34 Ru1 C6 C5 -106.2(2) . . . . ?
C4 Ru1 C6 C5 -37.33(15) . . . . ?
C7 Ru1 C6 C5 -115.2(2) . . . . ?
C3 Ru1 C6 C5 -78.11(16) . . . . ?
C2 Ru1 C6 C7 172.27(18) . . . . ?
C1 Ru1 C6 C7 -94.12(18) . . . . ?
C34 Ru1 C6 C7 9.1(3) . . . . ?
C5 Ru1 C6 C7 115.2(2) . . . . ?
C4 Ru1 C6 C7 77.90(16) . . . . ?
C3 Ru1 C6 C7 37.12(15) . . . . ?
C2 Ru1 C6 C27 -63.3(3) . . . . ?
C1 Ru1 C6 C27 30.3(3) . . . . ?
C34 Ru1 C6 C27 133.4(2) . . . . ?
C5 Ru1 C6 C27 -120.4(3) . . . . ?
C4 Ru1 C6 C27 -157.7(3) . . . . ?
C7 Ru1 C6 C27 124.4(3) . . . . ?
C3 Ru1 C6 C27 161.5(3) . . . . ?
C5 C6 C7 C3 -4.6(3) . . . . ?
C27 C6 C7 C3 164.9(3) . . . . ?
Ru1 C6 C7 C3 -69.4(2) . . . . ?
C5 C6 C7 C14 -167.9(3) . . . . ?
C27 C6 C7 C14 1.7(4) . . . . ?
Ru1 C6 C7 C14 127.4(3) . . . . ?
C5 C6 C7 Ru1 64.73(19) . . . . ?
C27 C6 C7 Ru1 -125.7(3) . . . . ?
O3 C3 C7 C6 -174.6(3) . . . . ?
C4 C3 C7 C6 10.2(3) . . . . ?
Ru1 C3 C7 C6 61.79(18) . . . . ?
O3 C3 C7 C14 -11.5(5) . . . . ?
C4 C3 C7 C14 173.3(3) . . . . ?
Ru1 C3 C7 C14 -135.1(3) . . . . ?
O3 C3 C7 Ru1 123.6(3) . . . . ?
C4 C3 C7 Ru1 -51.60(18) . . . . ?
C2 Ru1 C7 C6 -16.5(4) . . . . ?
C1 Ru1 C7 C6 91.82(18) . . . . ?
C34 Ru1 C7 C6 -174.56(16) . . . . ?
C5 Ru1 C7 C6 -38.72(16) . . . . ?
C4 Ru1 C7 C6 -81.49(16) . . . . ?
C3 Ru1 C7 C6 -115.2(2) . . . . ?
C2 Ru1 C7 C3 98.8(3) . . . . ?
C1 Ru1 C7 C3 -152.95(17) . . . . ?
C34 Ru1 C7 C3 -59.32(17) . . . . ?
C6 Ru1 C7 C3 115.2(2) . . . . ?
C5 Ru1 C7 C3 76.52(16) . . . . ?
C4 Ru1 C7 C3 33.75(14) . . . . ?
C2 Ru1 C7 C14 -133.1(3) . . . . ?
C1 Ru1 C7 C14 -24.8(3) . . . . ?
C34 Ru1 C7 C14 68.8(3) . . . . ?
C6 Ru1 C7 C14 -116.7(3) . . . . ?
C5 Ru1 C7 C14 -155.4(3) . . . . ?
C4 Ru1 C7 C14 161.9(3) . . . . ?
C3 Ru1 C7 C14 128.1(3) . . . . ?
C5 C4 C8 C9 -133.3(3) . . . . ?
C3 C4 C8 C9 27.6(4) . . . . ?
Ru1 C4 C8 C9 135.0(2) . . . . ?
C5 C4 C8 C13 43.4(4) . . . . ?
C3 C4 C8 C13 -155.7(3) . . . . ?
Ru1 C4 C8 C13 -48.3(3) . . . . ?
C13 C8 C9 C10 -0.6(4) . . . . ?
C4 C8 C9 C10 176.2(3) . . . . ?
C8 C9 C10 C11 -0.3(5) . . . . ?
C9 C10 C11 C12 1.1(5) . . . . ?
C10 C11 C12 C13 -1.0(5) . . . . ?
C11 C12 C13 C8 0.1(5) . . . . ?
C9 C8 C13 C12 0.7(4) . . . . ?
C4 C8 C13 C12 -176.0(3) . . . . ?
C6 C7 C14 C15 -43.1(4) . . . . ?
C3 C7 C14 C15 156.5(3) . . . . ?
Ru1 C7 C14 C15 47.1(4) . . . . ?
C6 C7 C14 C19 133.3(3) . . . . ?
C3 C7 C14 C19 -27.2(5) . . . . ?
Ru1 C7 C14 C19 -136.6(3) . . . . ?
C19 C14 C15 C16 0.2(5) . . . . ?
C7 C14 C15 C16 176.6(3) . . . . ?
C14 C15 C16 C17 0.6(6) . . . . ?
C15 C16 C17 C18 -1.2(7) . . . . ?
C16 C17 C18 C19 0.9(9) . . . . ?
C17 C18 C19 C14 -0.2(8) . . . . ?
C15 C14 C19 C18 -0.4(6) . . . . ?
C7 C14 C19 C18 -176.9(4) . . . . ?
C6 C5 C20 C25 70.5(4) . . . . ?
C4 C5 C20 C25 -126.0(3) . . . . ?
Ru1 C5 C20 C25 -25.8(4) . . . . ?
C6 C5 C20 C21 -106.8(3) . . . . ?
C4 C5 C20 C21 56.7(4) . . . . ?
Ru1 C5 C20 C21 157.0(2) . . . . ?
C25 C20 C21 C22 0.6(4) . . . . ?
C5 C20 C21 C22 178.1(3) . . . . ?
C20 C21 C22 C23 0.3(5) . . . . ?
C21 C22 C23 O4 178.3(3) . . . . ?
C21 C22 C23 C24 -1.1(5) . . . . ?
O4 C23 C24 C25 -178.5(3) . . . . ?
C22 C23 C24 C25 0.9(5) . . . . ?
C21 C20 C25 C24 -0.8(5) . . . . ?
C5 C20 C25 C24 -178.0(3) . . . . ?
C23 C24 C25 C20 0.0(5) . . . . ?
C5 C6 C27 C28 -67.1(4) . . . . ?
C7 C6 C27 C28 125.0(3) . . . . ?
Ru1 C6 C27 C28 26.2(4) . . . . ?
C5 C6 C27 C32 110.7(3) . . . . ?
C7 C6 C27 C32 -57.2(4) . . . . ?
Ru1 C6 C27 C32 -156.0(2) . . . . ?
C32 C27 C28 C29 -0.8(5) . . . . ?
C6 C27 C28 C29 177.1(3) . . . . ?
C27 C28 C29 C30 0.0(5) . . . . ?
C28 C29 C30 O5 -179.6(4) . . . . ?
C28 C29 C30 C31 0.8(5) . . . . ?
C29 C30 C31 C32 -0.8(6) . . . . ?
O5 C30 C31 C32 179.6(3) . . . . ?
C30 C31 C32 C27 0.0(5) . . . . ?
C28 C27 C32 C31 0.8(5) . . . . ?
C6 C27 C32 C31 -177.1(3) . . . . ?
C2 Ru1 C34 N2 148.0(3) . . . . ?
C1 Ru1 C34 N2 58.7(3) . . . . ?
C6 Ru1 C34 N2 -46.8(4) . . . . ?
C5 Ru1 C34 N2 -108.5(3) . . . . ?
C4 Ru1 C34 N2 -104.5(3) . . . . ?
C7 Ru1 C34 N2 -41.0(3) . . . . ?
C3 Ru1 C34 N2 -71.0(3) . . . . ?
C2 Ru1 C34 N1 -27.3(3) . . . . ?
C1 Ru1 C34 N1 -116.6(3) . . . . ?
C6 Ru1 C34 N1 137.9(3) . . . . ?
C5 Ru1 C34 N1 76.1(3) . . . . ?
C4 Ru1 C34 N1 80.1(3) . . . . ?
C7 Ru1 C34 N1 143.7(3) . . . . ?
C3 Ru1 C34 N1 113.7(3) . . . . ?
N1 C35 C36 N2 -0.1(5) . . . . ?
N2 C38 C39 O6 -53.1(4) . . . . ?
N2 C34 N1 C35 -0.7(4) . . . . ?
Ru1 C34 N1 C35 175.4(3) . . . . ?
N2 C34 N1 C37 179.8(3) . . . . ?
Ru1 C34 N1 C37 -4.0(5) . . . . ?
C36 C35 N1 C34 0.5(4) . . . . ?
C36 C35 N1 C37 180.0(4) . . . . ?
N1 C34 N2 C36 0.7(4) . . . . ?
Ru1 C34 N2 C36 -175.6(2) . . . . ?
N1 C34 N2 C38 -178.4(3) . . . . ?
Ru1 C34 N2 C38 5.4(5) . . . . ?
C35 C36 N2 C34 -0.4(4) . . . . ?
C35 C36 N2 C38 178.7(3) . . . . ?
C39 C38 N2 C34 127.7(3) . . . . ?
C39 C38 N2 C36 -51.3(4) . . . . ?
C22 C23 O4 C26 -173.8(3) . . . . ?
C24 C23 O4 C26 5.7(4) . . . . ?
C29 C30 O5 C33 3.9(7) . . . . ?
C31 C30 O5 C33 -176.6(5) . . . . ?

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
O6 H6 O3 0.873(19) 1.80(2) 2.662(3) 168(5) .

_diffrn_measured_fraction_theta_max 0.968
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.968
_refine_diff_density_max         0.496
_refine_diff_density_min         -0.490
_refine_diff_density_rms         0.077
_database_code_depnum_ccdc_archive 'CCDC 1016381'
#######################################################################
#
#                 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_5f

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C63.75 H69 Ag Cl N2 O5 Ru'
_chemical_formula_weight         1187.60

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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'

_cell_length_a                   15.6360(14)
_cell_length_b                   20.8474(19)
_cell_length_c                   38.030(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.6730(10)
_cell_angle_gamma                90.00
_cell_volume                     12396(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    9013
_cell_measurement_theta_min      2.228
_cell_measurement_theta_max      23.7155

_exptl_crystal_description       prism
_exptl_crystal_colour            pale-yellow
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4908
_exptl_absorpt_coefficient_mu    0.649
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.8866
_exptl_absorpt_correction_T_max  0.9204
_exptl_absorpt_process_details   
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.1281 (selected reflections only, before parameter refinement)
 R(int) = 0.0556 (selected reflections only, after parameter refinement)
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      295(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            116143
_diffrn_reflns_av_R_equivalents  0.0524
_diffrn_reflns_av_sigmaI/netI    0.0410
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_theta_min         1.07
_diffrn_reflns_theta_max         25.03
_reflns_number_total             21866
_reflns_number_gt                14719
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1996)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. The following restraints
 were applied (given as SHELXL lines):  
 SIMU 0.005 $C $O $n
 delu .005 n101 c137 c146 c148
 simu .001 $cl
 isor .005 c137 > c148
 isor .005 c39 c40 c43 c44 c45 c47 c133  c159 c26 c33 c59 c60
 AFIX 66 on Ph rings
 same c505 < c501
 same c601 > c605 
 dfix 1.53 c501 c502 c502 c503 c503 c504 c504 c505
 dfix -2.3 c501 c503 c502 c504 c503 c505
 dfix 1.53 c601 c602 c602 c603 c603 c604 c604 c605
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1063P)²+21.5631P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         21866
_refine_ls_number_parameters     1157
_refine_ls_number_restraints     1033
_refine_ls_R_factor_all          0.0970
_refine_ls_R_factor_gt           0.0619
_refine_ls_wR_factor_ref         0.2014
_refine_ls_wR_factor_gt          0.1743
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.103
_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 0.77527(3) 0.30615(2) 0.008869(13) 0.05085(15) Uani 1 1 d . . .
Ag1 Ag 1.00838(3) 0.24240(3) 0.052931(14) 0.06450(17) Uani 1 1 d . . .
Cl1 Cl 0.86631(11) 0.30767(10) 0.06135(4) 0.0728(5) Uani 1 1 d . . .
C1 C 0.6724(5) 0.2960(4) 0.03316(19) 0.0686(18) Uani 1 1 d U . .
C2 C 0.7602(6) 0.3948(4) 0.0105(2) 0.082(2) Uani 1 1 d U . .
C3 C 0.8915(4) 0.2433(3) -0.01493(15) 0.0507(11) Uani 1 1 d U . .
C4 C 0.8663(4) 0.2983(3) -0.03633(16) 0.0542(12) Uani 1 1 d U . .
C5 C 0.7788(4) 0.2893(3) -0.04817(16) 0.0540(12) Uani 1 1 d U . .
C6 C 0.7459(4) 0.2327(3) -0.03074(16) 0.0538(12) Uani 1 1 d U . .
C7 C 0.8127(4) 0.2072(3) -0.00831(15) 0.0503(11) Uani 1 1 d U . .
C8 C 0.9302(3) 0.3449(2) -0.04952(12) 0.0670(14) Uani 1 1 d GU . .
C9 C 0.9772(3) 0.3825(3) -0.02609(10) 0.0841(17) Uani 1 1 d GU . .
H9 H 0.9663 0.3804 -0.0021 0.101 Uiso 1 1 calc R . .
C10 C 1.0404(3) 0.4233(3) -0.03848(14) 0.0988(19) Uani 1 1 d GU . .
H10 H 1.0718 0.4485 -0.0228 0.119 Uiso 1 1 calc R . .
C11 C 1.0566(3) 0.4265(3) -0.07429(15) 0.101(2) Uani 1 1 d GU . .
H11 H 1.0989 0.4538 -0.0826 0.121 Uiso 1 1 calc R . .
C12 C 1.0096(4) 0.3889(3) -0.09772(11) 0.0949(19) Uani 1 1 d GU . .
H12 H 1.0205 0.3910 -0.1217 0.114 Uiso 1 1 calc R . .
C13 C 0.9465(3) 0.3481(2) -0.08534(11) 0.0803(17) Uani 1 1 d GU . .
H13 H 0.9150 0.3230 -0.1010 0.096 Uiso 1 1 calc R . .
C14 C 0.8111(3) 0.14738(17) 0.01355(11) 0.0581(12) Uani 1 1 d GU . .
C15 C 0.7404(2) 0.1310(2) 0.03347(12) 0.0661(14) Uani 1 1 d GU . .
H15 H 0.6925 0.1574 0.0334 0.079 Uiso 1 1 calc R . .
C16 C 0.7414(3) 0.0751(2) 0.05342(12) 0.0773(16) Uani 1 1 d GU . .
H16 H 0.6941 0.0641 0.0667 0.093 Uiso 1 1 calc R . .
C17 C 0.8131(3) 0.03564(19) 0.05345(13) 0.0808(17) Uani 1 1 d GU . .
H17 H 0.8137 -0.0017 0.0668 0.097 Uiso 1 1 calc R . .
C18 C 0.8838(3) 0.0521(2) 0.03354(13) 0.0786(16) Uani 1 1 d GU . .
H18 H 0.9317 0.0257 0.0336 0.094 Uiso 1 1 calc R . .
C19 C 0.8828(2) 0.1079(2) 0.01359(12) 0.0688(15) Uani 1 1 d GU . .
H19 H 0.9301 0.1189 0.0003 0.083 Uiso 1 1 calc R . .
C20 C 0.6609(2) 0.2022(2) -0.03786(12) 0.0584(13) Uani 1 1 d GU . .
C21 C 0.5858(3) 0.23794(17) -0.03769(12) 0.0648(14) Uani 1 1 d GU . .
H21 H 0.5880 0.2819 -0.0338 0.078 Uiso 1 1 calc R . .
C22 C 0.5075(2) 0.2079(2) -0.04334(13) 0.0731(15) Uani 1 1 d GU . .
H22 H 0.4573 0.2317 -0.0432 0.088 Uiso 1 1 calc R . .
C23 C 0.5043(2) 0.1421(2) -0.04917(14) 0.0823(15) Uani 1 1 d GU . .
C24 C 0.5793(3) 0.10638(17) -0.04935(14) 0.0819(17) Uani 1 1 d GU . .
H24 H 0.5772 0.0624 -0.0533 0.098 Uiso 1 1 calc R . .
C25 C 0.6576(2) 0.1365(2) -0.04370(13) 0.0700(15) Uani 1 1 d GU . .
H25 H 0.7079 0.1126 -0.0438 0.084 Uiso 1 1 calc R . .
C26 C 0.3578(7) 0.1420(6) -0.0561(3) 0.130(3) Uani 1 1 d U . .
H26A H 0.3098 0.1140 -0.0597 0.195 Uiso 1 1 calc R . .
H26B H 0.3615 0.1714 -0.0755 0.195 Uiso 1 1 calc R . .
H26C H 0.3504 0.1657 -0.0347 0.195 Uiso 1 1 calc R . .
C27 C 0.7359(3) 0.32399(19) -0.07789(9) 0.0597(13) Uani 1 1 d GU . .
C28 C 0.7336(3) 0.39062(19) -0.07891(10) 0.0752(16) Uani 1 1 d GU . .
H28 H 0.7578 0.4143 -0.0606 0.090 Uiso 1 1 calc R . .
C29 C 0.6952(4) 0.42183(16) -0.10728(13) 0.0832(17) Uani 1 1 d GU . .
H29 H 0.6937 0.4664 -0.1080 0.100 Uiso 1 1 calc R . .
C30 C 0.6591(3) 0.3864(2) -0.13463(11) 0.0821(15) Uani 1 1 d GU . .
C31 C 0.6614(3) 0.3198(2) -0.13361(10) 0.0738(16) Uani 1 1 d GU . .
H31 H 0.6373 0.2961 -0.1519 0.089 Uiso 1 1 calc R . .
C32 C 0.6998(3) 0.28858(16) -0.10525(11) 0.0661(15) Uani 1 1 d GU . .
H32 H 0.7013 0.2440 -0.1046 0.079 Uiso 1 1 calc R . .
C33 C 0.5751(7) 0.3884(5) -0.1873(3) 0.111(3) Uani 1 1 d U . .
H33A H 0.5525 0.4183 -0.2041 0.167 Uiso 1 1 calc R . .
H33B H 0.5289 0.3653 -0.1767 0.167 Uiso 1 1 calc R . .
H33C H 0.6125 0.3587 -0.1988 0.167 Uiso 1 1 calc R . .
C34 C 1.1109(4) 0.2295(3) 0.08799(16) 0.0525(13) Uani 1 1 d U . .
C35 C 1.2256(4) 0.2556(3) 0.12212(17) 0.0605(14) Uani 1 1 d U . .
H35 H 1.2694 0.2795 0.1324 0.073 Uiso 1 1 calc R . .
C36 C 1.2076(4) 0.1943(3) 0.12795(17) 0.0585(13) Uani 1 1 d U . .
H36 H 1.2366 0.1670 0.1433 0.070 Uiso 1 1 calc R . .
C37 C 1.1626(4) 0.34037(19) 0.08384(14) 0.0743(14) Uani 1 1 d GU . .
C38 C 1.1183(4) 0.3876(3) 0.10192(12) 0.0914(17) Uani 1 1 d GU . .
C39 C 1.1113(4) 0.4490(2) 0.08792(16) 0.103(2) Uani 1 1 d GU . .
H39 H 1.0817 0.4806 0.1000 0.124 Uiso 1 1 calc R . .
C40 C 1.1486(4) 0.4632(2) 0.05585(17) 0.108(2) Uani 1 1 d GU . .
H40 H 1.1439 0.5042 0.0465 0.129 Uiso 1 1 calc R . .
C41 C 1.1929(4) 0.4159(3) 0.03777(13) 0.1006(19) Uani 1 1 d GU . .
H41 H 1.2178 0.4254 0.0163 0.121 Uiso 1 1 calc R . .
C42 C 1.1998(3) 0.3545(2) 0.05177(14) 0.0882(16) Uani 1 1 d GU . .
C43 C 1.0790(7) 0.3727(5) 0.1382(3) 0.109(2) Uani 1 1 d U . .
H43 H 1.0811 0.3262 0.1419 0.131 Uiso 1 1 calc R . .
C44 C 0.9873(8) 0.3937(6) 0.1403(4) 0.149(4) Uani 1 1 d U . .
H44A H 0.9654 0.3832 0.1631 0.223 Uiso 1 1 calc R . .
H44B H 0.9542 0.3720 0.1225 0.223 Uiso 1 1 calc R . .
H44C H 0.9838 0.4392 0.1367 0.223 Uiso 1 1 calc R . .
C45 C 1.1324(8) 0.4044(6) 0.1669(3) 0.140(4) Uani 1 1 d U . .
H45A H 1.1087 0.3946 0.1894 0.210 Uiso 1 1 calc R . .
H45B H 1.1323 0.4500 0.1634 0.210 Uiso 1 1 calc R . .
H45C H 1.1900 0.3887 0.1660 0.210 Uiso 1 1 calc R . .
C46 C 1.2482(6) 0.3031(5) 0.0309(3) 0.102(2) Uani 1 1 d U . .
H46 H 1.2451 0.2626 0.0440 0.122 Uiso 1 1 calc R . .
C47 C 1.3425(7) 0.3228(6) 0.0288(3) 0.135(3) Uani 1 1 d U . .
H47A H 1.3739 0.2904 0.0165 0.202 Uiso 1 1 calc R . .
H47B H 1.3658 0.3276 0.0521 0.202 Uiso 1 1 calc R . .
H47C H 1.3469 0.3628 0.0164 0.202 Uiso 1 1 calc R . .
C48 C 1.2096(8) 0.2926(6) -0.0045(3) 0.130(3) Uani 1 1 d U . .
H48A H 1.2407 0.2596 -0.0165 0.194 Uiso 1 1 calc R . .
H48B H 1.2122 0.3317 -0.0178 0.194 Uiso 1 1 calc R . .
H48C H 1.1511 0.2797 -0.0022 0.194 Uiso 1 1 calc R . .
C49 C 1.0988(3) 0.11754(17) 0.10514(12) 0.0596(13) Uani 1 1 d GU . .
C50 C 1.1278(3) 0.0725(2) 0.08111(12) 0.0686(14) Uani 1 1 d GU . .
C51 C 1.0904(3) 0.0121(2) 0.07956(13) 0.0836(17) Uani 1 1 d GU . .
H51 H 1.1098 -0.0181 0.0635 0.100 Uiso 1 1 calc R . .
C52 C 1.0241(3) -0.00334(18) 0.10204(15) 0.0888(18) Uani 1 1 d GU . .
H52 H 0.9991 -0.0438 0.1010 0.107 Uiso 1 1 calc R . .
C53 C 0.9951(3) 0.0417(2) 0.12607(13) 0.0860(17) Uani 1 1 d GU . .
H53 H 0.9507 0.0314 0.1411 0.103 Uiso 1 1 calc R . .
C54 C 1.0325(3) 0.1021(2) 0.12763(12) 0.0749(15) Uani 1 1 d GU . .
C55 C 1.1996(5) 0.0890(4) 0.0556(2) 0.0798(17) Uani 1 1 d U . .
H55 H 1.2300 0.1266 0.0650 0.096 Uiso 1 1 calc R . .
C56 C 1.1620(7) 0.1072(5) 0.0195(2) 0.108(3) Uani 1 1 d U . .
H56A H 1.2076 0.1183 0.0039 0.162 Uiso 1 1 calc R . .
H56B H 1.1244 0.1433 0.0220 0.162 Uiso 1 1 calc R . .
H56C H 1.1307 0.0715 0.0100 0.162 Uiso 1 1 calc R . .
C57 C 1.2648(6) 0.0352(5) 0.0513(3) 0.110(3) Uani 1 1 d U . .
H57A H 1.3085 0.0488 0.0354 0.165 Uiso 1 1 calc R . .
H57B H 1.2366 -0.0021 0.0419 0.165 Uiso 1 1 calc R . .
H57C H 1.2901 0.0251 0.0737 0.165 Uiso 1 1 calc R . .
C58 C 0.9992(5) 0.1507(5) 0.1537(2) 0.0902(19) Uani 1 1 d U . .
H58 H 1.0415 0.1854 0.1551 0.108 Uiso 1 1 calc R . .
C59 C 0.9166(7) 0.1802(5) 0.1407(3) 0.119(3) Uani 1 1 d U . .
H59A H 0.8970 0.2110 0.1576 0.179 Uiso 1 1 calc R . .
H59B H 0.8743 0.1472 0.1377 0.179 Uiso 1 1 calc R . .
H59C H 0.9259 0.2011 0.1186 0.179 Uiso 1 1 calc R . .
C60 C 0.9886(6) 0.1242(5) 0.1913(3) 0.110(3) Uani 1 1 d U . .
H60A H 1.0419 0.1064 0.1994 0.165 Uiso 1 1 calc R . .
H60B H 0.9455 0.0915 0.1912 0.165 Uiso 1 1 calc R . .
H60C H 0.9718 0.1583 0.2067 0.165 Uiso 1 1 calc R . .
N1 N 1.1658(3) 0.2768(2) 0.09756(14) 0.0580(11) Uani 1 1 d U . .
N2 N 1.1371(3) 0.1785(2) 0.10680(13) 0.0521(10) Uani 1 1 d U . .
O1 O 0.6070(4) 0.2882(3) 0.04579(16) 0.0979(17) Uani 1 1 d U . .
O2 O 0.7520(5) 0.4494(3) 0.01159(18) 0.117(2) Uani 1 1 d U . .
O3 O 0.9646(3) 0.2331(2) -0.00263(11) 0.0578(10) Uani 1 1 d U . .
O4 O 0.4327(4) 0.1059(3) -0.05384(17) 0.1078(17) Uani 1 1 d U . .
O5 O 0.6211(4) 0.4217(3) -0.16108(15) 0.1000(16) Uani 1 1 d U . .
Ag2 Ag 0.50900(4) 0.21871(3) 0.200452(14) 0.06806(18) Uani 1 1 d . . .
Ru2 Ru 0.27495(3) 0.26595(3) 0.246440(13) 0.05240(15) Uani 1 1 d . . .
Cl2 Cl 0.36471(12) 0.28132(11) 0.19548(5) 0.0769(5) Uani 1 1 d . . .
C101 C 0.2586(6) 0.3548(4) 0.2510(2) 0.086(2) Uani 1 1 d U . .
C102 C 0.1730(5) 0.2612(4) 0.2203(2) 0.0711(19) Uani 1 1 d U . .
C103 C 0.3910(4) 0.1970(3) 0.26556(15) 0.0527(12) Uani 1 1 d U . .
C104 C 0.3690(4) 0.2472(3) 0.29031(16) 0.0545(12) Uani 1 1 d U . .
C105 C 0.2819(4) 0.2364(3) 0.30168(16) 0.0539(12) Uani 1 1 d U . .
C106 C 0.2465(4) 0.1847(3) 0.28085(16) 0.0539(12) Uani 1 1 d U . .
C107 C 0.3115(4) 0.1632(3) 0.25645(16) 0.0523(12) Uani 1 1 d U . .
C108 C 0.4353(3) 0.2890(2) 0.30657(11) 0.0620(13) Uani 1 1 d GU . .
C109 C 0.4547(3) 0.2823(2) 0.34214(10) 0.0707(15) Uani 1 1 d GU . .
H109 H 0.4233 0.2542 0.3559 0.085 Uiso 1 1 calc R . .
C110 C 0.5211(3) 0.3177(3) 0.35712(9) 0.0823(17) Uani 1 1 d GU . .
H110 H 0.5341 0.3133 0.3809 0.099 Uiso 1 1 calc R . .
C111 C 0.5680(3) 0.3597(3) 0.33654(13) 0.0888(18) Uani 1 1 d GU . .
H111 H 0.6125 0.3834 0.3466 0.107 Uiso 1 1 calc R . .
C112 C 0.5486(3) 0.3664(2) 0.30096(13) 0.0919(18) Uani 1 1 d GU . .
H112 H 0.5800 0.3945 0.2872 0.110 Uiso 1 1 calc R . .
C113 C 0.4822(3) 0.3310(3) 0.28598(9) 0.0789(16) Uani 1 1 d GU . .
H113 H 0.4692 0.3354 0.2622 0.095 Uiso 1 1 calc R . .
C114 C 0.3043(3) 0.11189(19) 0.22911(10) 0.0584(13) Uani 1 1 d GU . .
C115 C 0.3780(2) 0.0802(2) 0.21873(12) 0.0724(15) Uani 1 1 d GU . .
H115 H 0.4301 0.0896 0.2295 0.087 Uiso 1 1 calc R . .
C116 C 0.3737(3) 0.0343(2) 0.19222(13) 0.0855(17) Uani 1 1 d GU . .
H116 H 0.4230 0.0131 0.1853 0.103 Uiso 1 1 calc R . .
C117 C 0.2957(3) 0.0202(2) 0.17609(12) 0.0878(18) Uani 1 1 d GU . .
H117 H 0.2929 -0.0104 0.1584 0.105 Uiso 1 1 calc R . .
C118 C 0.2220(3) 0.0520(2) 0.18647(12) 0.0801(17) Uani 1 1 d GU . .
H118 H 0.1698 0.0425 0.1757 0.096 Uiso 1 1 calc R . .
C119 C 0.2263(2) 0.0978(2) 0.21297(12) 0.0689(15) Uani 1 1 d GU . .
H119 H 0.1770 0.1190 0.2199 0.083 Uiso 1 1 calc R . .
C120 C 0.2408(3) 0.26829(18) 0.33279(9) 0.0566(12) Uani 1 1 d GU . .
C121 C 0.1947(3) 0.23176(15) 0.35657(11) 0.0621(14) Uani 1 1 d GU . .
H121 H 0.1898 0.1877 0.3534 0.074 Uiso 1 1 calc R . .
C122 C 0.1559(3) 0.26112(19) 0.38507(10) 0.0656(14) Uani 1 1 d GU . .
H122 H 0.1251 0.2367 0.4010 0.079 Uiso 1 1 calc R . .
C123 C 0.1632(3) 0.3270(2) 0.38978(9) 0.0656(13) Uani 1 1 d GU . .
C124 C 0.2093(3) 0.36355(15) 0.36600(11) 0.0654(14) Uani 1 1 d GU . .
H124 H 0.2142 0.4076 0.3692 0.079 Uiso 1 1 calc R . .
C125 C 0.2481(3) 0.33419(18) 0.33751(10) 0.0622(14) Uani 1 1 d GU . .
H125 H 0.2789 0.3586 0.3216 0.075 Uiso 1 1 calc R . .
C126 C 0.0684(5) 0.3284(4) 0.4384(2) 0.089(2) Uani 1 1 d U . .
H12A H 0.0446 0.3577 0.4552 0.133 Uiso 1 1 calc R . .
H12B H 0.0998 0.2955 0.4507 0.133 Uiso 1 1 calc R . .
H12C H 0.0231 0.3092 0.4248 0.133 Uiso 1 1 calc R . .
C127 C 0.1620(2) 0.15328(19) 0.28704(13) 0.0603(13) Uani 1 1 d GU . .
C128 C 0.1607(2) 0.08775(19) 0.29374(13) 0.0703(15) Uani 1 1 d GU . .
H128 H 0.2113 0.0644 0.2936 0.084 Uiso 1 1 calc R . .
C129 C 0.0837(3) 0.05718(17) 0.30066(15) 0.0821(17) Uani 1 1 d GU . .
H129 H 0.0828 0.0133 0.3051 0.099 Uiso 1 1 calc R . .
C130 C 0.0080(2) 0.0921(2) 0.30088(15) 0.0886(16) Uani 1 1 d GU . .
C131 C 0.0093(2) 0.1577(2) 0.29418(14) 0.0767(16) Uani 1 1 d GU . .
H131 H -0.0413 0.1811 0.2943 0.092 Uiso 1 1 calc R . .
C132 C 0.0863(3) 0.18825(16) 0.28725(13) 0.0667(15) Uani 1 1 d GU . .
H132 H 0.0872 0.2321 0.2828 0.080 Uiso 1 1 calc R . .
C133 C -0.1439(7) 0.0889(6) 0.3062(3) 0.136(3) Uani 1 1 d U . .
H13A H -0.1887 0.0585 0.3105 0.204 Uiso 1 1 calc R . .
H13B H -0.1521 0.1078 0.2834 0.204 Uiso 1 1 calc R . .
H13C H -0.1453 0.1219 0.3238 0.204 Uiso 1 1 calc R . .
C134 C 0.6062(5) 0.2246(3) 0.16400(17) 0.0628(14) Uani 1 1 d U . .
C135 C 0.7145(5) 0.2656(4) 0.13177(19) 0.0784(16) Uani 1 1 d U . .
H135 H 0.7550 0.2944 0.1235 0.094 Uiso 1 1 calc R . .
C136 C 0.7009(4) 0.2058(3) 0.12068(17) 0.0646(14) Uani 1 1 d U . .
H136 H 0.7305 0.1847 0.1030 0.078 Uiso 1 1 calc R . .
C137 C 0.6535(6) 0.3320(4) 0.1782(2) 0.1179(19) Uani 1 1 d GU . .
C138 C 0.6016(5) 0.3825(5) 0.16733(19) 0.155(2) Uani 1 1 d GU . .
C139 C 0.5999(6) 0.4391(4) 0.1867(3) 0.164(3) Uani 1 1 d GU . .
H139 H 0.5651 0.4729 0.1794 0.197 Uiso 1 1 calc R . .
C140 C 0.6501(6) 0.4451(3) 0.2169(2) 0.156(3) Uani 1 1 d GU . .
H140 H 0.6489 0.4829 0.2298 0.187 Uiso 1 1 calc R . .
C141 C 0.7020(5) 0.3946(5) 0.22777(19) 0.151(3) Uani 1 1 d GU . .
H141 H 0.7356 0.3986 0.2480 0.181 Uiso 1 1 calc R . .
C142 C 0.7037(5) 0.3380(4) 0.2084(2) 0.138(2) Uani 1 1 d GU . .
C143 C 0.5401(12) 0.3791(8) 0.1331(5) 0.182(3) Uani 1 1 d U . .
H143 H 0.5376 0.3334 0.1270 0.218 Uiso 1 1 calc R . .
C144 C 0.5917(12) 0.4098(9) 0.1035(5) 0.220(5) Uani 1 1 d U . .
H14A H 0.6506 0.3974 0.1058 0.330 Uiso 1 1 calc R . .
H14B H 0.5873 0.4557 0.1050 0.330 Uiso 1 1 calc R . .
H14C H 0.5695 0.3957 0.0811 0.330 Uiso 1 1 calc R . .
C145 C 0.4552(12) 0.3991(9) 0.1324(5) 0.220(5) Uani 1 1 d U . .
H14D H 0.4312 0.3920 0.1094 0.331 Uiso 1 1 calc R . .
H14E H 0.4525 0.4440 0.1380 0.331 Uiso 1 1 calc R . .
H14F H 0.4234 0.3752 0.1494 0.331 Uiso 1 1 calc R . .
C146 C 0.7506(10) 0.2841(7) 0.2221(4) 0.157(3) Uani 1 1 d U . .
H146 H 0.7411 0.2501 0.2047 0.189 Uiso 1 1 calc R . .
C147 C 0.7227(10) 0.2564(8) 0.2550(4) 0.177(5) Uani 1 1 d U . .
H14G H 0.6621 0.2492 0.2539 0.266 Uiso 1 1 calc R . .
H14H H 0.7359 0.2853 0.2739 0.266 Uiso 1 1 calc R . .
H14I H 0.7517 0.2164 0.2589 0.266 Uiso 1 1 calc R . .
C148 C 0.8532(10) 0.2931(9) 0.2234(5) 0.195(4) Uani 1 1 d U . .
H14J H 0.8731 0.3055 0.2006 0.292 Uiso 1 1 calc R . .
H14K H 0.8797 0.2534 0.2302 0.292 Uiso 1 1 calc R . .
H14L H 0.8679 0.3257 0.2403 0.292 Uiso 1 1 calc R . .
C149 C 0.6011(3) 0.11838(17) 0.13570(12) 0.0597(13) Uani 1 1 d GU . .
C150 C 0.6290(3) 0.0676(2) 0.15660(11) 0.0705(14) Uani 1 1 d GU . .
C151 C 0.5982(3) 0.00608(19) 0.15040(13) 0.0846(17) Uani 1 1 d GU . .
H151 H 0.6168 -0.0279 0.1644 0.102 Uiso 1 1 calc R . .
C152 C 0.5395(3) -0.00474(19) 0.12332(14) 0.0914(18) Uani 1 1 d GU . .
H152 H 0.5189 -0.0459 0.1192 0.110 Uiso 1 1 calc R . .
C153 C 0.5116(3) 0.0460(3) 0.10242(12) 0.0859(17) Uani 1 1 d GU . .
H153 H 0.4724 0.0388 0.0843 0.103 Uiso 1 1 calc R . .
C154 C 0.5424(3) 0.1076(2) 0.10862(11) 0.0707(14) Uani 1 1 d GU . .
C155 C 0.6932(5) 0.0779(4) 0.1870(2) 0.0829(18) Uani 1 1 d U . .
H155 H 0.7160 0.1215 0.1851 0.099 Uiso 1 1 calc R . .
C156 C 0.6507(6) 0.0717(6) 0.2229(2) 0.114(3) Uani 1 1 d U . .
H15A H 0.6931 0.0765 0.2412 0.170 Uiso 1 1 calc R . .
H15B H 0.6243 0.0303 0.2248 0.170 Uiso 1 1 calc R . .
H15C H 0.6080 0.1045 0.2253 0.170 Uiso 1 1 calc R . .
C157 C 0.7673(6) 0.0315(5) 0.1845(3) 0.106(3) Uani 1 1 d U . .
H15D H 0.8059 0.0382 0.2040 0.159 Uiso 1 1 calc R . .
H15E H 0.7970 0.0387 0.1629 0.159 Uiso 1 1 calc R . .
H15F H 0.7462 -0.0117 0.1850 0.159 Uiso 1 1 calc R . .
C158 C 0.5085(5) 0.1618(4) 0.0863(2) 0.0840(18) Uani 1 1 d U . .
H158 H 0.5504 0.1967 0.0872 0.101 Uiso 1 1 calc R . .
C159 C 0.4252(7) 0.1863(5) 0.1027(3) 0.117(3) Uani 1 1 d U . .
H15G H 0.4021 0.2204 0.0885 0.176 Uiso 1 1 calc R . .
H15H H 0.4369 0.2019 0.1260 0.176 Uiso 1 1 calc R . .
H15I H 0.3846 0.1518 0.1038 0.176 Uiso 1 1 calc R . .
C160 C 0.4934(6) 0.1441(6) 0.0473(2) 0.110(3) Uani 1 1 d U . .
H16A H 0.4708 0.1806 0.0349 0.166 Uiso 1 1 calc R . .
H16B H 0.4534 0.1092 0.0457 0.166 Uiso 1 1 calc R . .
H16C H 0.5466 0.1314 0.0370 0.166 Uiso 1 1 calc R . .
N101 N 0.6561(5) 0.2758(3) 0.15799(17) 0.0824(14) Uani 1 1 d U . .
N102 N 0.6350(3) 0.1808(2) 0.14027(13) 0.0542(11) Uani 1 1 d U . .
O101 O 0.2509(5) 0.4086(3) 0.25397(17) 0.121(2) Uani 1 1 d U . .
O102 O 0.1075(4) 0.2576(3) 0.20698(17) 0.1014(18) Uani 1 1 d U . .
O103 O 0.4644(3) 0.1885(2) 0.25275(11) 0.0581(10) Uani 1 1 d U . .
O104 O 0.1235(3) 0.3617(3) 0.41601(13) 0.0801(13) Uani 1 1 d U . .
O105 O -0.0641(4) 0.0575(3) 0.30765(19) 0.1135(18) Uani 1 1 d U . .
C501 C 1.0164(16) 0.4348(12) 0.2684(6) 0.316(10) Uiso 1 1 d DU . .
H50A H 1.0687 0.4346 0.2555 0.474 Uiso 1 1 calc R . .
H50B H 1.0079 0.4764 0.2786 0.474 Uiso 1 1 calc R . .
H50C H 0.9694 0.4248 0.2529 0.474 Uiso 1 1 calc R . .
C502 C 1.0215(14) 0.3857(13) 0.2971(7) 0.305(8) Uiso 1 1 d DU . .
H50D H 1.0669 0.3994 0.3130 0.366 Uiso 1 1 calc R . .
H50E H 1.0409 0.3462 0.2863 0.366 Uiso 1 1 calc R . .
C503 C 0.9448(16) 0.3679(12) 0.3201(6) 0.304(7) Uiso 1 1 d DU . .
H50F H 0.9377 0.4085 0.3322 0.365 Uiso 1 1 calc R . .
H50G H 0.9003 0.3685 0.3021 0.365 Uiso 1 1 calc R . .
C504 C 0.9012(16) 0.3237(11) 0.3468(7) 0.309(8) Uiso 1 1 d DU . .
H50H H 0.9460 0.3025 0.3603 0.371 Uiso 1 1 calc R . .
H50I H 0.8710 0.2907 0.3336 0.371 Uiso 1 1 calc R . .
C505 C 0.8376(17) 0.3527(13) 0.3733(7) 0.332(10) Uiso 1 1 d DU . .
H50J H 0.8238 0.3212 0.3907 0.499 Uiso 1 1 calc R . .
H50K H 0.7863 0.3655 0.3611 0.499 Uiso 1 1 calc R . .
H50L H 0.8631 0.3894 0.3845 0.499 Uiso 1 1 calc R . .
C601 C 0.3627(17) 0.3958(13) 0.8639(6) 0.153(8) Uiso 0.50 1 d PDU A -1
H60D H 0.3100 0.3812 0.8535 0.230 Uiso 0.50 1 calc PR A -1
H60E H 0.4099 0.3789 0.8508 0.230 Uiso 0.50 1 calc PR A -1
H60F H 0.3645 0.4419 0.8633 0.230 Uiso 0.50 1 calc PR A -1
C602 C 0.369(2) 0.3723(17) 0.9027(7) 0.208(8) Uiso 0.50 1 d PDU A -1
H60G H 0.3146 0.3830 0.9132 0.250 Uiso 0.50 1 calc PR A -1
H60H H 0.3711 0.3258 0.9015 0.250 Uiso 0.50 1 calc PR A -1
C603 C 0.436(2) 0.3914(18) 0.9291(8) 0.219(8) Uiso 0.50 1 d PDU A -1
H60I H 0.4816 0.3901 0.9120 0.263 Uiso 0.50 1 calc PR A -1
H60J H 0.4384 0.3491 0.9396 0.263 Uiso 0.50 1 calc PR A -1
C604 C 0.493(2) 0.4210(19) 0.9574(9) 0.226(9) Uiso 0.50 1 d PDU A -1
H60K H 0.5226 0.3817 0.9633 0.271 Uiso 0.50 1 calc PR A -1
H60L H 0.5310 0.4422 0.9413 0.271 Uiso 0.50 1 calc PR A -1
C605 C 0.521(2) 0.4573(17) 0.9892(9) 0.230(11) Uiso 0.50 1 d PDU A -1
H60M H 0.5465 0.4971 0.9821 0.345 Uiso 0.50 1 calc PR A -1
H60N H 0.5624 0.4323 1.0021 0.345 Uiso 0.50 1 calc PR A -1
H60O H 0.4727 0.4658 1.0038 0.345 Uiso 0.50 1 calc PR A -1


_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 C2 1.864(8) . ?
Ru1 C1 1.877(8) . ?
Ru1 C6 2.193(6) . ?
Ru1 C5 2.199(6) . ?
Ru1 C7 2.243(6) . ?
Ru1 C4 2.251(6) . ?
Ru1 C3 2.425(6) . ?
Ru1 Cl1 2.4379(17) . ?
Ag1 C34 2.090(6) . ?
Ag1 O3 2.222(4) . ?
Ag1 Cl1 2.6277(18) . ?
C1 O1 1.145(8) . ?
C2 O2 1.146(9) . ?
C3 O3 1.248(7) . ?
C3 C4 1.458(9) . ?
C3 C7 1.468(9) . ?
C4 C5 1.449(9) . ?
C4 C8 1.485(7) . ?
C5 C6 1.451(9) . ?
C5 C27 1.494(7) . ?
C6 C7 1.442(8) . ?
C6 C20 1.495(7) . ?
C7 C14 1.500(7) . ?
C8 C9 1.3900 . ?
C8 C13 1.3900 . ?
C9 C10 1.3900 . ?
C9 H9 0.9300 . ?
C10 C11 1.3900 . ?
C10 H10 0.9300 . ?
C11 C12 1.3900 . ?
C11 H11 0.9300 . ?
C12 C13 1.3900 . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.3900 . ?
C14 C19 1.3900 . ?
C15 C16 1.3900 . ?
C15 H15 0.9300 . ?
C16 C17 1.3900 . ?
C16 H16 0.9300 . ?
C17 C18 1.3900 . ?
C17 H17 0.9300 . ?
C18 C19 1.3900 . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.3900 . ?
C20 C25 1.3900 . ?
C21 C22 1.3900 . ?
C21 H21 0.9300 . ?
C22 C23 1.3900 . ?
C22 H22 0.9300 . ?
C23 O4 1.360(6) . ?
C23 C24 1.3900 . ?
C24 C25 1.3900 . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 O4 1.395(12) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.3900 . ?
C27 C32 1.3900 . ?
C28 C29 1.3900 . ?
C28 H28 0.9300 . ?
C29 C30 1.3900 . ?
C29 H29 0.9300 . ?
C30 O5 1.376(6) . ?
C30 C31 1.3900 . ?
C31 C32 1.3900 . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 O5 1.405(10) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 N2 1.344(8) . ?
C34 N1 1.355(8) . ?
C35 C36 1.327(9) . ?
C35 N1 1.386(8) . ?
C35 H35 0.9300 . ?
C36 N2 1.396(8) . ?
C36 H36 0.9300 . ?
C37 C38 1.3900 . ?
C37 C42 1.3900 . ?
C37 N1 1.424(6) . ?
C38 C39 1.3900 . ?
C38 C43 1.549(11) . ?
C39 C40 1.3900 . ?
C39 H39 0.9300 . ?
C40 C41 1.3900 . ?
C40 H40 0.9300 . ?
C41 C42 1.3900 . ?
C41 H41 0.9300 . ?
C42 C46 1.538(11) . ?
C43 C44 1.501(14) . ?
C43 C45 1.517(14) . ?
C43 H43 0.9800 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 C48 1.487(14) . ?
C46 C47 1.534(14) . ?
C46 H46 0.9800 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 C50 1.3900 . ?
C49 C54 1.3900 . ?
C49 N2 1.405(6) . ?
C50 C51 1.3900 . ?
C50 C55 1.530(9) . ?
C51 C52 1.3900 . ?
C51 H51 0.9300 . ?
C52 C53 1.3900 . ?
C52 H52 0.9300 . ?
C53 C54 1.3900 . ?
C53 H53 0.9300 . ?
C54 C58 1.514(10) . ?
C55 C57 1.526(11) . ?
C55 C56 1.536(12) . ?
C55 H55 0.9800 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C58 C59 1.508(13) . ?
C58 C60 1.543(12) . ?
C58 H58 0.9800 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
Ag2 C134 2.073(6) . ?
Ag2 O103 2.207(4) . ?
Ag2 Cl2 2.611(2) . ?
Ru2 C102 1.872(8) . ?
Ru2 C101 1.879(8) . ?
Ru2 C106 2.190(6) . ?
Ru2 C105 2.190(6) . ?
Ru2 C104 2.246(7) . ?
Ru2 C107 2.248(6) . ?
Ru2 C103 2.420(6) . ?
Ru2 Cl2 2.4274(18) . ?
C101 O101 1.132(9) . ?
C102 O102 1.139(9) . ?
C103 O103 1.265(7) . ?
C103 C104 1.452(9) . ?
C103 C107 1.466(9) . ?
C104 C105 1.452(9) . ?
C104 C108 1.483(7) . ?
C105 C106 1.445(9) . ?
C105 C120 1.507(6) . ?
C106 C107 1.455(8) . ?
C106 C127 1.495(7) . ?
C107 C114 1.495(7) . ?
C108 C109 1.3900 . ?
C108 C113 1.3900 . ?
C109 C110 1.3900 . ?
C109 H109 0.9300 . ?
C110 C111 1.3900 . ?
C110 H110 0.9300 . ?
C111 C112 1.3900 . ?
C111 H111 0.9300 . ?
C112 C113 1.3900 . ?
C112 H112 0.9300 . ?
C113 H113 0.9300 . ?
C114 C115 1.3900 . ?
C114 C119 1.3900 . ?
C115 C116 1.3900 . ?
C115 H115 0.9300 . ?
C116 C117 1.3900 . ?
C116 H116 0.9300 . ?
C117 C118 1.3900 . ?
C117 H117 0.9300 . ?
C118 C119 1.3900 . ?
C118 H118 0.9300 . ?
C119 H119 0.9300 . ?
C120 C121 1.3900 . ?
C120 C125 1.3900 . ?
C121 C122 1.3900 . ?
C121 H121 0.9300 . ?
C122 C123 1.3900 . ?
C122 H122 0.9300 . ?
C123 O104 1.385(5) . ?
C123 C124 1.3900 . ?
C124 C125 1.3900 . ?
C124 H124 0.9300 . ?
C125 H125 0.9300 . ?
C126 O104 1.404(9) . ?
C126 H12A 0.9600 . ?
C126 H12B 0.9600 . ?
C126 H12C 0.9600 . ?
C127 C128 1.3900 . ?
C127 C132 1.3900 . ?
C128 C129 1.3900 . ?
C128 H128 0.9300 . ?
C129 C130 1.3900 . ?
C129 H129 0.9300 . ?
C130 O105 1.366(6) . ?
C130 C131 1.3900 . ?
C131 C132 1.3900 . ?
C131 H131 0.9300 . ?
C132 H132 0.9300 . ?
C133 O105 1.409(12) . ?
C133 H13A 0.9600 . ?
C133 H13B 0.9600 . ?
C133 H13C 0.9600 . ?
C134 N101 1.344(9) . ?
C134 N102 1.364(8) . ?
C135 C136 1.333(10) . ?
C135 N101 1.376(9) . ?
C135 H135 0.9300 . ?
C136 N102 1.381(8) . ?
C136 H136 0.9300 . ?
C137 C138 1.3900 . ?
C137 C142 1.3900 . ?
C137 N101 1.402(8) . ?
C138 C139 1.3900 . ?
C138 C143 1.612(18) . ?
C139 C140 1.3900 . ?
C139 H139 0.9300 . ?
C140 C141 1.3900 . ?
C140 H140 0.9300 . ?
C141 C142 1.3900 . ?
C141 H141 0.9300 . ?
C142 C146 1.435(16) . ?
C143 C145 1.39(2) . ?
C143 C144 1.53(2) . ?
C143 H143 0.9800 . ?
C144 H14A 0.9600 . ?
C144 H14B 0.9600 . ?
C144 H14C 0.9600 . ?
C145 H14D 0.9600 . ?
C145 H14E 0.9600 . ?
C145 H14F 0.9600 . ?
C146 C147 1.450(18) . ?
C146 C148 1.615(19) . ?
C146 H146 0.9800 . ?
C147 H14G 0.9600 . ?
C147 H14H 0.9600 . ?
C147 H14I 0.9600 . ?
C148 H14J 0.9600 . ?
C148 H14K 0.9600 . ?
C148 H14L 0.9600 . ?
C149 C150 1.3900 . ?
C149 C154 1.3900 . ?
C149 N102 1.414(6) . ?
C150 C151 1.3900 . ?
C150 C155 1.537(9) . ?
C151 C152 1.3900 . ?
C151 H151 0.9300 . ?
C152 C153 1.3900 . ?
C152 H152 0.9300 . ?
C153 C154 1.3900 . ?
C153 H153 0.9300 . ?
C154 C158 1.506(9) . ?
C155 C157 1.513(11) . ?
C155 C156 1.532(12) . ?
C155 H155 0.9800 . ?
C156 H15A 0.9600 . ?
C156 H15B 0.9600 . ?
C156 H15C 0.9600 . ?
C157 H15D 0.9600 . ?
C157 H15E 0.9600 . ?
C157 H15F 0.9600 . ?
C158 C159 1.538(12) . ?
C158 C160 1.545(11) . ?
C158 H158 0.9800 . ?
C159 H15G 0.9600 . ?
C159 H15H 0.9600 . ?
C159 H15I 0.9600 . ?
C160 H16A 0.9600 . ?
C160 H16B 0.9600 . ?
C160 H16C 0.9600 . ?
C501 C502 1.496(13) . ?
C501 H50A 0.9600 . ?
C501 H50B 0.9600 . ?
C501 H50C 0.9600 . ?
C502 C503 1.539(13) . ?
C502 H50D 0.9700 . ?
C502 H50E 0.9700 . ?
C503 C504 1.537(13) . ?
C503 H50F 0.9700 . ?
C503 H50G 0.9700 . ?
C504 C505 1.547(14) . ?
C504 H50H 0.9700 . ?
C504 H50I 0.9700 . ?
C505 H50J 0.9600 . ?
C505 H50K 0.9600 . ?
C505 H50L 0.9600 . ?
C601 C602 1.558(14) . ?
C601 H60D 0.9600 . ?
C601 H60E 0.9600 . ?
C601 H60F 0.9600 . ?
C602 C603 1.498(14) . ?
C602 H60G 0.9700 . ?
C602 H60H 0.9700 . ?
C603 C604 1.515(13) . ?
C603 H60I 0.9700 . ?
C603 H60J 0.9700 . ?
C604 C605 1.491(14) . ?
C604 H60K 0.9700 . ?
C604 H60L 0.9700 . ?
C605 H60M 0.9600 . ?
C605 H60N 0.9600 . ?
C605 H60O 0.9600 . ?

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
C2 Ru1 C1 89.2(3) . . ?
C2 Ru1 C6 133.6(3) . . ?
C1 Ru1 C6 94.9(3) . . ?
C2 Ru1 C5 101.2(3) . . ?
C1 Ru1 C5 119.9(3) . . ?
C6 Ru1 C5 38.6(2) . . ?
C2 Ru1 C7 162.7(3) . . ?
C1 Ru1 C7 105.6(3) . . ?
C6 Ru1 C7 37.9(2) . . ?
C5 Ru1 C7 63.7(2) . . ?
C2 Ru1 C4 100.3(3) . . ?
C1 Ru1 C4 157.1(3) . . ?
C6 Ru1 C4 63.5(2) . . ?
C5 Ru1 C4 38.0(2) . . ?
C7 Ru1 C4 62.7(2) . . ?
C2 Ru1 C3 130.1(3) . . ?
C1 Ru1 C3 140.7(3) . . ?
C6 Ru1 C3 61.2(2) . . ?
C5 Ru1 C3 61.2(2) . . ?
C7 Ru1 C3 36.4(2) . . ?
C4 Ru1 C3 36.1(2) . . ?
C2 Ru1 Cl1 91.9(3) . . ?
C1 Ru1 Cl1 95.4(2) . . ?
C6 Ru1 Cl1 133.38(17) . . ?
C5 Ru1 Cl1 142.07(17) . . ?
C7 Ru1 Cl1 95.66(16) . . ?
C4 Ru1 Cl1 104.93(17) . . ?
C3 Ru1 Cl1 83.08(15) . . ?
C34 Ag1 O3 145.2(2) . . ?
C34 Ag1 Cl1 129.18(17) . . ?
O3 Ag1 Cl1 84.83(11) . . ?
Ru1 Cl1 Ag1 112.32(7) . . ?
O1 C1 Ru1 175.1(7) . . ?
O2 C2 Ru1 179.1(10) . . ?
O3 C3 C4 125.8(6) . . ?
O3 C3 C7 127.9(6) . . ?
C4 C3 C7 106.1(5) . . ?
O3 C3 Ru1 129.8(4) . . ?
C4 C3 Ru1 65.4(3) . . ?
C7 C3 Ru1 65.0(3) . . ?
C5 C4 C3 108.7(5) . . ?
C5 C4 C8 128.1(5) . . ?
C3 C4 C8 121.6(5) . . ?
C5 C4 Ru1 69.1(3) . . ?
C3 C4 Ru1 78.5(3) . . ?
C8 C4 Ru1 130.2(4) . . ?
C4 C5 C6 107.6(5) . . ?
C4 C5 C27 125.9(5) . . ?
C6 C5 C27 125.5(5) . . ?
C4 C5 Ru1 73.0(3) . . ?
C6 C5 Ru1 70.5(3) . . ?
C27 C5 Ru1 130.8(4) . . ?
C7 C6 C5 108.2(5) . . ?
C7 C6 C20 126.0(5) . . ?
C5 C6 C20 125.5(5) . . ?
C7 C6 Ru1 72.9(4) . . ?
C5 C6 Ru1 70.9(4) . . ?
C20 C6 Ru1 126.8(4) . . ?
C6 C7 C3 108.3(5) . . ?
C6 C7 C14 128.1(5) . . ?
C3 C7 C14 122.7(5) . . ?
C6 C7 Ru1 69.2(3) . . ?
C3 C7 Ru1 78.6(4) . . ?
C14 C7 Ru1 126.7(4) . . ?
C9 C8 C13 120.0 . . ?
C9 C8 C4 120.3(4) . . ?
C13 C8 C4 119.6(4) . . ?
C8 C9 C10 120.0 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C11 C10 C9 120.0 . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C11 C12 120.0 . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C13 C12 C11 120.0 . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C8 120.0 . . ?
C12 C13 H13 120.0 . . ?
C8 C13 H13 120.0 . . ?
C15 C14 C19 120.0 . . ?
C15 C14 C7 121.7(3) . . ?
C19 C14 C7 118.3(3) . . ?
C16 C15 C14 120.0 . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 120.0 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C17 C18 120.0 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C19 C18 C17 120.0 . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C14 120.0 . . ?
C18 C19 H19 120.0 . . ?
C14 C19 H19 120.0 . . ?
C21 C20 C25 120.0 . . ?
C21 C20 C6 121.4(4) . . ?
C25 C20 C6 118.6(4) . . ?
C20 C21 C22 120.0 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 C23 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
O4 C23 C24 113.3(5) . . ?
O4 C23 C22 126.6(5) . . ?
C24 C23 C22 120.0 . . ?
C23 C24 C25 120.0 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 C20 120.0 . . ?
C24 C25 H25 120.0 . . ?
C20 C25 H25 120.0 . . ?
O4 C26 H26A 109.5 . . ?
O4 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O4 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C32 120.0 . . ?
C28 C27 C5 121.0(4) . . ?
C32 C27 C5 119.0(4) . . ?
C27 C28 C29 120.0 . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C30 C29 C28 120.0 . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
O5 C30 C29 115.6(4) . . ?
O5 C30 C31 124.4(4) . . ?
C29 C30 C31 120.0 . . ?
C32 C31 C30 120.0 . . ?
C32 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?
C31 C32 C27 120.0 . . ?
C31 C32 H32 120.0 . . ?
C27 C32 H32 120.0 . . ?
O5 C33 H33A 109.5 . . ?
O5 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
O5 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N2 C34 N1 104.2(5) . . ?
N2 C34 Ag1 131.9(5) . . ?
N1 C34 Ag1 123.9(4) . . ?
C36 C35 N1 106.1(6) . . ?
C36 C35 H35 127.0 . . ?
N1 C35 H35 127.0 . . ?
C35 C36 N2 107.4(6) . . ?
C35 C36 H36 126.3 . . ?
N2 C36 H36 126.3 . . ?
C38 C37 C42 120.0 . . ?
C38 C37 N1 119.6(4) . . ?
C42 C37 N1 120.4(4) . . ?
C37 C38 C39 120.0 . . ?
C37 C38 C43 120.3(5) . . ?
C39 C38 C43 119.7(5) . . ?
C40 C39 C38 120.0 . . ?
C40 C39 H39 120.0 . . ?
C38 C39 H39 120.0 . . ?
C41 C40 C39 120.0 . . ?
C41 C40 H40 120.0 . . ?
C39 C40 H40 120.0 . . ?
C40 C41 C42 120.0 . . ?
C40 C41 H41 120.0 . . ?
C42 C41 H41 120.0 . . ?
C41 C42 C37 120.0 . . ?
C41 C42 C46 118.8(5) . . ?
C37 C42 C46 121.2(5) . . ?
C44 C43 C45 110.7(9) . . ?
C44 C43 C38 112.2(9) . . ?
C45 C43 C38 109.4(9) . . ?
C44 C43 H43 108.1 . . ?
C45 C43 H43 108.1 . . ?
C38 C43 H43 108.1 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C48 C46 C47 111.8(9) . . ?
C48 C46 C42 111.9(8) . . ?
C47 C46 C42 108.6(8) . . ?
C48 C46 H46 108.1 . . ?
C47 C46 H46 108.1 . . ?
C42 C46 H46 108.1 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 C54 120.0 . . ?
C50 C49 N2 119.9(4) . . ?
C54 C49 N2 120.1(4) . . ?
C51 C50 C49 120.0 . . ?
C51 C50 C55 119.2(4) . . ?
C49 C50 C55 120.7(4) . . ?
C50 C51 C52 120.0 . . ?
C50 C51 H51 120.0 . . ?
C52 C51 H51 120.0 . . ?
C53 C52 C51 120.0 . . ?
C53 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
C52 C53 C54 120.0 . . ?
C52 C53 H53 120.0 . . ?
C54 C53 H53 120.0 . . ?
C53 C54 C49 120.0 . . ?
C53 C54 C58 119.1(4) . . ?
C49 C54 C58 120.9(4) . . ?
C57 C55 C50 113.5(7) . . ?
C57 C55 C56 109.4(7) . . ?
C50 C55 C56 110.3(7) . . ?
C57 C55 H55 107.8 . . ?
C50 C55 H55 107.8 . . ?
C56 C55 H55 107.8 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C59 C58 C54 111.0(8) . . ?
C59 C58 C60 110.4(8) . . ?
C54 C58 C60 114.1(8) . . ?
C59 C58 H58 107.0 . . ?
C54 C58 H58 107.0 . . ?
C60 C58 H58 107.0 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C34 N1 C35 111.7(5) . . ?
C34 N1 C37 124.0(5) . . ?
C35 N1 C37 124.4(5) . . ?
C34 N2 C36 110.7(5) . . ?
C34 N2 C49 124.4(5) . . ?
C36 N2 C49 124.9(5) . . ?
C3 O3 Ag1 127.7(4) . . ?
C23 O4 C26 113.4(7) . . ?
C30 O5 C33 117.8(6) . . ?
C134 Ag2 O103 149.5(2) . . ?
C134 Ag2 Cl2 124.2(2) . . ?
O103 Ag2 Cl2 85.76(11) . . ?
C102 Ru2 C101 89.2(4) . . ?
C102 Ru2 C106 95.6(3) . . ?
C101 Ru2 C106 132.8(3) . . ?
C102 Ru2 C105 121.8(3) . . ?
C101 Ru2 C105 101.2(3) . . ?
C106 Ru2 C105 38.5(2) . . ?
C102 Ru2 C104 158.7(3) . . ?
C101 Ru2 C104 101.1(3) . . ?
C106 Ru2 C104 63.7(2) . . ?
C105 Ru2 C104 38.2(2) . . ?
C102 Ru2 C107 104.6(3) . . ?
C101 Ru2 C107 163.5(3) . . ?
C106 Ru2 C107 38.3(2) . . ?
C105 Ru2 C107 63.9(2) . . ?
C104 Ru2 C107 63.0(2) . . ?
C102 Ru2 C103 139.4(3) . . ?
C101 Ru2 C103 131.4(3) . . ?
C106 Ru2 C103 61.2(2) . . ?
C105 Ru2 C103 61.1(2) . . ?
C104 Ru2 C103 36.0(2) . . ?
C107 Ru2 C103 36.4(2) . . ?
C102 Ru2 Cl2 94.6(2) . . ?
C101 Ru2 Cl2 91.4(3) . . ?
C106 Ru2 Cl2 134.65(17) . . ?
C105 Ru2 Cl2 141.29(18) . . ?
C104 Ru2 Cl2 103.68(16) . . ?
C107 Ru2 Cl2 96.47(16) . . ?
C103 Ru2 Cl2 83.11(14) . . ?
Ru2 Cl2 Ag2 112.54(7) . . ?
O101 C101 Ru2 178.3(10) . . ?
O102 C102 Ru2 174.3(7) . . ?
O103 C103 C104 124.9(6) . . ?
O103 C103 C107 127.8(6) . . ?
C104 C103 C107 107.1(5) . . ?
O103 C103 Ru2 130.4(4) . . ?
C104 C103 Ru2 65.4(3) . . ?
C107 C103 Ru2 65.4(3) . . ?
C105 C104 C103 108.1(6) . . ?
C105 C104 C108 128.3(5) . . ?
C103 C104 C108 121.6(5) . . ?
C105 C104 Ru2 68.8(4) . . ?
C103 C104 Ru2 78.5(4) . . ?
C108 C104 Ru2 131.0(4) . . ?
C106 C105 C104 107.9(5) . . ?
C106 C105 C120 126.5(5) . . ?
C104 C105 C120 125.2(5) . . ?
C106 C105 Ru2 70.7(3) . . ?
C104 C105 Ru2 73.0(3) . . ?
C120 C105 Ru2 127.8(4) . . ?
C105 C106 C107 108.2(5) . . ?
C105 C106 C127 125.0(5) . . ?
C107 C106 C127 126.2(5) . . ?
C105 C106 Ru2 70.8(3) . . ?
C107 C106 Ru2 73.0(3) . . ?
C127 C106 Ru2 128.2(4) . . ?
C106 C107 C103 107.4(5) . . ?
C106 C107 C114 128.0(5) . . ?
C103 C107 C114 124.4(5) . . ?
C106 C107 Ru2 68.7(3) . . ?
C103 C107 Ru2 78.2(4) . . ?
C114 C107 Ru2 123.2(4) . . ?
C109 C108 C113 120.0 . . ?
C109 C108 C104 119.4(4) . . ?
C113 C108 C104 120.4(4) . . ?
C108 C109 C110 120.0 . . ?
C108 C109 H109 120.0 . . ?
C110 C109 H109 120.0 . . ?
C111 C110 C109 120.0 . . ?
C111 C110 H110 120.0 . . ?
C109 C110 H110 120.0 . . ?
C112 C111 C110 120.0 . . ?
C112 C111 H111 120.0 . . ?
C110 C111 H111 120.0 . . ?
C111 C112 C113 120.0 . . ?
C111 C112 H112 120.0 . . ?
C113 C112 H112 120.0 . . ?
C112 C113 C108 120.0 . . ?
C112 C113 H113 120.0 . . ?
C108 C113 H113 120.0 . . ?
C115 C114 C119 120.0 . . ?
C115 C114 C107 118.8(4) . . ?
C119 C114 C107 121.1(4) . . ?
C116 C115 C114 120.0 . . ?
C116 C115 H115 120.0 . . ?
C114 C115 H115 120.0 . . ?
C115 C116 C117 120.0 . . ?
C115 C116 H116 120.0 . . ?
C117 C116 H116 120.0 . . ?
C118 C117 C116 120.0 . . ?
C118 C117 H117 120.0 . . ?
C116 C117 H117 120.0 . . ?
C117 C118 C119 120.0 . . ?
C117 C118 H118 120.0 . . ?
C119 C118 H118 120.0 . . ?
C118 C119 C114 120.0 . . ?
C118 C119 H119 120.0 . . ?
C114 C119 H119 120.0 . . ?
C121 C120 C125 120.0 . . ?
C121 C120 C105 119.9(3) . . ?
C125 C120 C105 120.1(3) . . ?
C120 C121 C122 120.0 . . ?
C120 C121 H121 120.0 . . ?
C122 C121 H121 120.0 . . ?
C123 C122 C121 120.0 . . ?
C123 C122 H122 120.0 . . ?
C121 C122 H122 120.0 . . ?
O104 C123 C122 124.9(3) . . ?
O104 C123 C124 115.0(3) . . ?
C122 C123 C124 120.0 . . ?
C125 C124 C123 120.0 . . ?
C125 C124 H124 120.0 . . ?
C123 C124 H124 120.0 . . ?
C124 C125 C120 120.0 . . ?
C124 C125 H125 120.0 . . ?
C120 C125 H125 120.0 . . ?
O104 C126 H12A 109.5 . . ?
O104 C126 H12B 109.5 . . ?
H12A C126 H12B 109.5 . . ?
O104 C126 H12C 109.5 . . ?
H12A C126 H12C 109.5 . . ?
H12B C126 H12C 109.5 . . ?
C128 C127 C132 120.0 . . ?
C128 C127 C106 118.3(4) . . ?
C132 C127 C106 121.7(4) . . ?
C129 C128 C127 120.0 . . ?
C129 C128 H128 120.0 . . ?
C127 C128 H128 120.0 . . ?
C128 C129 C130 120.0 . . ?
C128 C129 H129 120.0 . . ?
C130 C129 H129 120.0 . . ?
O105 C130 C131 124.6(4) . . ?
O105 C130 C129 115.4(4) . . ?
C131 C130 C129 120.0 . . ?
C130 C131 C132 120.0 . . ?
C130 C131 H131 120.0 . . ?
C132 C131 H131 120.0 . . ?
C131 C132 C127 120.0 . . ?
C131 C132 H132 120.0 . . ?
C127 C132 H132 120.0 . . ?
O105 C133 H13A 109.5 . . ?
O105 C133 H13B 109.5 . . ?
H13A C133 H13B 109.5 . . ?
O105 C133 H13C 109.5 . . ?
H13A C133 H13C 109.5 . . ?
H13B C133 H13C 109.5 . . ?
N101 C134 N102 102.9(5) . . ?
N101 C134 Ag2 126.3(5) . . ?
N102 C134 Ag2 130.8(5) . . ?
C136 C135 N101 105.7(6) . . ?
C136 C135 H135 127.2 . . ?
N101 C135 H135 127.2 . . ?
C135 C136 N102 107.4(6) . . ?
C135 C136 H136 126.3 . . ?
N102 C136 H136 126.3 . . ?
C138 C137 C142 120.0 . . ?
C138 C137 N101 119.3(8) . . ?
C142 C137 N101 120.7(8) . . ?
C137 C138 C139 120.0 . . ?
C137 C138 C143 123.3(9) . . ?
C139 C138 C143 116.7(9) . . ?
C138 C139 C140 120.0 . . ?
C138 C139 H139 120.0 . . ?
C140 C139 H139 120.0 . . ?
C141 C140 C139 120.0 . . ?
C141 C140 H140 120.0 . . ?
C139 C140 H140 120.0 . . ?
C142 C141 C140 120.0 . . ?
C142 C141 H141 120.0 . . ?
C140 C141 H141 120.0 . . ?
C141 C142 C137 120.0 . . ?
C141 C142 C146 119.1(9) . . ?
C137 C142 C146 120.6(9) . . ?
C145 C143 C144 111.8(16) . . ?
C145 C143 C138 124.2(16) . . ?
C144 C143 C138 105.1(13) . . ?
C145 C143 H143 104.7 . . ?
C144 C143 H143 104.7 . . ?
C138 C143 H143 104.7 . . ?
C143 C144 H14A 109.5 . . ?
C143 C144 H14B 109.5 . . ?
H14A C144 H14B 109.5 . . ?
C143 C144 H14C 109.5 . . ?
H14A C144 H14C 109.5 . . ?
H14B C144 H14C 109.5 . . ?
C143 C145 H14D 109.5 . . ?
C143 C145 H14E 109.5 . . ?
H14D C145 H14E 109.5 . . ?
C143 C145 H14F 109.5 . . ?
H14D C145 H14F 109.5 . . ?
H14E C145 H14F 109.5 . . ?
C142 C146 C147 117.8(14) . . ?
C142 C146 C148 115.1(12) . . ?
C147 C146 C148 109.1(14) . . ?
C142 C146 H146 104.4 . . ?
C147 C146 H146 104.4 . . ?
C148 C146 H146 104.4 . . ?
C146 C147 H14G 109.5 . . ?
C146 C147 H14H 109.5 . . ?
H14G C147 H14H 109.5 . . ?
C146 C147 H14I 109.5 . . ?
H14G C147 H14I 109.5 . . ?
H14H C147 H14I 109.5 . . ?
C146 C148 H14J 109.5 . . ?
C146 C148 H14K 109.5 . . ?
H14J C148 H14K 109.5 . . ?
C146 C148 H14L 109.5 . . ?
H14J C148 H14L 109.5 . . ?
H14K C148 H14L 109.5 . . ?
C150 C149 C154 120.0 . . ?
C150 C149 N102 121.0(4) . . ?
C154 C149 N102 118.9(4) . . ?
C151 C150 C149 120.0 . . ?
C151 C150 C155 118.5(4) . . ?
C149 C150 C155 121.5(4) . . ?
C150 C151 C152 120.0 . . ?
C150 C151 H151 120.0 . . ?
C152 C151 H151 120.0 . . ?
C153 C152 C151 120.0 . . ?
C153 C152 H152 120.0 . . ?
C151 C152 H152 120.0 . . ?
C152 C153 C154 120.0 . . ?
C152 C153 H153 120.0 . . ?
C154 C153 H153 120.0 . . ?
C153 C154 C149 120.0 . . ?
C153 C154 C158 118.5(4) . . ?
C149 C154 C158 121.4(4) . . ?
C157 C155 C156 110.1(7) . . ?
C157 C155 C150 111.0(7) . . ?
C156 C155 C150 111.9(7) . . ?
C157 C155 H155 107.9 . . ?
C156 C155 H155 107.9 . . ?
C150 C155 H155 107.9 . . ?
C155 C156 H15A 109.5 . . ?
C155 C156 H15B 109.5 . . ?
H15A C156 H15B 109.5 . . ?
C155 C156 H15C 109.5 . . ?
H15A C156 H15C 109.5 . . ?
H15B C156 H15C 109.5 . . ?
C155 C157 H15D 109.5 . . ?
C155 C157 H15E 109.5 . . ?
H15D C157 H15E 109.5 . . ?
C155 C157 H15F 109.5 . . ?
H15D C157 H15F 109.5 . . ?
H15E C157 H15F 109.5 . . ?
C154 C158 C159 108.4(7) . . ?
C154 C158 C160 114.3(7) . . ?
C159 C158 C160 110.3(8) . . ?
C154 C158 H158 107.9 . . ?
C159 C158 H158 107.9 . . ?
C160 C158 H158 107.9 . . ?
C158 C159 H15G 109.5 . . ?
C158 C159 H15H 109.5 . . ?
H15G C159 H15H 109.5 . . ?
C158 C159 H15I 109.5 . . ?
H15G C159 H15I 109.5 . . ?
H15H C159 H15I 109.5 . . ?
C158 C160 H16A 109.5 . . ?
C158 C160 H16B 109.5 . . ?
H16A C160 H16B 109.5 . . ?
C158 C160 H16C 109.5 . . ?
H16A C160 H16C 109.5 . . ?
H16B C160 H16C 109.5 . . ?
C134 N101 C135 113.0(6) . . ?
C134 N101 C137 123.4(6) . . ?
C135 N101 C137 123.4(6) . . ?
C134 N102 C136 111.0(5) . . ?
C134 N102 C149 124.8(5) . . ?
C136 N102 C149 124.1(5) . . ?
C103 O103 Ag2 127.2(4) . . ?
C123 O104 C126 117.6(5) . . ?
C130 O105 C133 118.7(7) . . ?
C502 C501 H50A 109.5 . . ?
C502 C501 H50B 109.5 . . ?
H50A C501 H50B 109.5 . . ?
C502 C501 H50C 109.5 . . ?
H50A C501 H50C 109.5 . . ?
H50B C501 H50C 109.5 . . ?
C501 C502 C503 123(2) . . ?
C501 C502 H50D 106.6 . . ?
C503 C502 H50D 106.6 . . ?
C501 C502 H50E 106.6 . . ?
C503 C502 H50E 106.6 . . ?
H50D C502 H50E 106.6 . . ?
C504 C503 C502 151(2) . . ?
C504 C503 H50F 98.9 . . ?
C502 C503 H50F 98.9 . . ?
C504 C503 H50G 98.9 . . ?
C502 C503 H50G 98.9 . . ?
H50F C503 H50G 103.9 . . ?
C503 C504 C505 119(2) . . ?
C503 C504 H50H 107.5 . . ?
C505 C504 H50H 107.5 . . ?
C503 C504 H50I 107.5 . . ?
C505 C504 H50I 107.5 . . ?
H50H C504 H50I 107.0 . . ?
C504 C505 H50J 109.5 . . ?
C504 C505 H50K 109.5 . . ?
H50J C505 H50K 109.5 . . ?
C504 C505 H50L 109.5 . . ?
H50J C505 H50L 109.5 . . ?
H50K C505 H50L 109.5 . . ?
C602 C601 H60D 109.5 . . ?
C602 C601 H60E 109.5 . . ?
H60D C601 H60E 109.5 . . ?
C602 C601 H60F 109.5 . . ?
H60D C601 H60F 109.5 . . ?
H60E C601 H60F 109.5 . . ?
C603 C602 C601 126(2) . . ?
C603 C602 H60G 105.8 . . ?
C601 C602 H60G 105.8 . . ?
C603 C602 H60H 105.8 . . ?
C601 C602 H60H 105.8 . . ?
H60G C602 H60H 106.2 . . ?
C602 C603 C604 169(4) . . ?
C602 C603 H60I 93.3 . . ?
C604 C603 H60I 93.3 . . ?
C602 C603 H60J 93.3 . . ?
C604 C603 H60J 93.3 . . ?
H60I C603 H60J 103.0 . . ?
C605 C604 C603 162(4) . . ?
C605 C604 H60K 95.7 . . ?
C603 C604 H60K 95.7 . . ?
C605 C604 H60L 95.7 . . ?
C603 C604 H60L 95.7 . . ?
H60K C604 H60L 103.3 . . ?
C604 C605 H60M 109.5 . . ?
C604 C605 H60N 109.5 . . ?
H60M C605 H60N 109.5 . . ?
C604 C605 H60O 109.5 . . ?
H60M C605 H60O 109.5 . . ?
H60N C605 H60O 109.5 . . ?

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
C2 Ru1 Cl1 Ag1 -131.5(3) . . . . ?
C1 Ru1 Cl1 Ag1 139.2(2) . . . . ?
C6 Ru1 Cl1 Ag1 37.2(3) . . . . ?
C5 Ru1 Cl1 Ag1 -20.4(3) . . . . ?
C7 Ru1 Cl1 Ag1 32.91(18) . . . . ?
C4 Ru1 Cl1 Ag1 -30.32(19) . . . . ?
C3 Ru1 Cl1 Ag1 -1.33(17) . . . . ?
C34 Ag1 Cl1 Ru1 177.9(2) . . . . ?
O3 Ag1 Cl1 Ru1 6.29(14) . . . . ?
C2 Ru1 C1 O1 109(8) . . . . ?
C6 Ru1 C1 O1 -25(8) . . . . ?
C5 Ru1 C1 O1 6(9) . . . . ?
C7 Ru1 C1 O1 -62(8) . . . . ?
C4 Ru1 C1 O1 -6(9) . . . . ?
C3 Ru1 C1 O1 -74(8) . . . . ?
Cl1 Ru1 C1 O1 -159(8) . . . . ?
C1 Ru1 C2 O2 137(100) . . . . ?
C6 Ru1 C2 O2 -127(47) . . . . ?
C5 Ru1 C2 O2 -103(47) . . . . ?
C7 Ru1 C2 O2 -75(47) . . . . ?
C4 Ru1 C2 O2 -64(47) . . . . ?
C3 Ru1 C2 O2 -41(47) . . . . ?
Cl1 Ru1 C2 O2 41(47) . . . . ?
C2 Ru1 C3 O3 76.4(7) . . . . ?
C1 Ru1 C3 O3 -100.4(7) . . . . ?
C6 Ru1 C3 O3 -159.2(7) . . . . ?
C5 Ru1 C3 O3 156.5(7) . . . . ?
C7 Ru1 C3 O3 -119.6(7) . . . . ?
C4 Ru1 C3 O3 117.1(7) . . . . ?
Cl1 Ru1 C3 O3 -10.3(6) . . . . ?
C2 Ru1 C3 C4 -40.7(5) . . . . ?
C1 Ru1 C3 C4 142.5(5) . . . . ?
C6 Ru1 C3 C4 83.7(4) . . . . ?
C5 Ru1 C3 C4 39.4(4) . . . . ?
C7 Ru1 C3 C4 123.3(5) . . . . ?
Cl1 Ru1 C3 C4 -127.4(4) . . . . ?
C2 Ru1 C3 C7 -164.0(4) . . . . ?
C1 Ru1 C3 C7 19.3(6) . . . . ?
C6 Ru1 C3 C7 -39.5(3) . . . . ?
C5 Ru1 C3 C7 -83.8(4) . . . . ?
C4 Ru1 C3 C7 -123.3(5) . . . . ?
Cl1 Ru1 C3 C7 109.4(3) . . . . ?
O3 C3 C4 C5 174.5(6) . . . . ?
C7 C3 C4 C5 -10.9(7) . . . . ?
Ru1 C3 C4 C5 -63.0(4) . . . . ?
O3 C3 C4 C8 7.8(10) . . . . ?
C7 C3 C4 C8 -177.6(5) . . . . ?
Ru1 C3 C4 C8 130.4(6) . . . . ?
O3 C3 C4 Ru1 -122.5(6) . . . . ?
C7 C3 C4 Ru1 52.1(4) . . . . ?
C2 Ru1 C4 C5 -95.2(4) . . . . ?
C1 Ru1 C4 C5 17.9(9) . . . . ?
C6 Ru1 C4 C5 38.7(4) . . . . ?
C7 Ru1 C4 C5 81.4(4) . . . . ?
C3 Ru1 C4 C5 115.3(5) . . . . ?
Cl1 Ru1 C4 C5 170.1(3) . . . . ?
C2 Ru1 C4 C3 149.5(4) . . . . ?
C1 Ru1 C4 C3 -97.4(8) . . . . ?
C6 Ru1 C4 C3 -76.7(4) . . . . ?
C5 Ru1 C4 C3 -115.3(5) . . . . ?
C7 Ru1 C4 C3 -34.0(4) . . . . ?
Cl1 Ru1 C4 C3 54.7(4) . . . . ?
C2 Ru1 C4 C8 27.6(6) . . . . ?
C1 Ru1 C4 C8 140.7(7) . . . . ?
C6 Ru1 C4 C8 161.4(6) . . . . ?
C5 Ru1 C4 C8 122.8(7) . . . . ?
C7 Ru1 C4 C8 -155.9(6) . . . . ?
C3 Ru1 C4 C8 -121.9(7) . . . . ?
Cl1 Ru1 C4 C8 -67.2(5) . . . . ?
C3 C4 C5 C6 6.8(7) . . . . ?
C8 C4 C5 C6 172.3(6) . . . . ?
Ru1 C4 C5 C6 -62.4(4) . . . . ?
C3 C4 C5 C27 -162.3(5) . . . . ?
C8 C4 C5 C27 3.2(10) . . . . ?
Ru1 C4 C5 C27 128.5(6) . . . . ?
C3 C4 C5 Ru1 69.2(4) . . . . ?
C8 C4 C5 Ru1 -125.3(6) . . . . ?
C2 Ru1 C5 C4 92.3(4) . . . . ?
C1 Ru1 C5 C4 -172.1(4) . . . . ?
C6 Ru1 C5 C4 -116.3(5) . . . . ?
C7 Ru1 C5 C4 -78.6(4) . . . . ?
C3 Ru1 C5 C4 -37.4(4) . . . . ?
Cl1 Ru1 C5 C4 -15.7(5) . . . . ?
C2 Ru1 C5 C6 -151.4(4) . . . . ?
C1 Ru1 C5 C6 -55.8(5) . . . . ?
C7 Ru1 C5 C6 37.7(3) . . . . ?
C4 Ru1 C5 C6 116.3(5) . . . . ?
C3 Ru1 C5 C6 78.9(4) . . . . ?
Cl1 Ru1 C5 C6 100.6(4) . . . . ?
C2 Ru1 C5 C27 -30.8(6) . . . . ?
C1 Ru1 C5 C27 64.8(6) . . . . ?
C6 Ru1 C5 C27 120.6(7) . . . . ?
C7 Ru1 C5 C27 158.3(6) . . . . ?
C4 Ru1 C5 C27 -123.1(7) . . . . ?
C3 Ru1 C5 C27 -160.5(6) . . . . ?
Cl1 Ru1 C5 C27 -138.8(4) . . . . ?
C4 C5 C6 C7 0.2(7) . . . . ?
C27 C5 C6 C7 169.4(5) . . . . ?
Ru1 C5 C6 C7 -63.8(4) . . . . ?
C4 C5 C6 C20 -173.8(5) . . . . ?
C27 C5 C6 C20 -4.6(10) . . . . ?
Ru1 C5 C6 C20 122.2(6) . . . . ?
C4 C5 C6 Ru1 64.0(4) . . . . ?
C27 C5 C6 Ru1 -126.8(6) . . . . ?
C2 Ru1 C6 C7 157.3(5) . . . . ?
C1 Ru1 C6 C7 -109.1(4) . . . . ?
C5 Ru1 C6 C7 116.9(5) . . . . ?
C4 Ru1 C6 C7 78.8(4) . . . . ?
C3 Ru1 C6 C7 37.9(3) . . . . ?
Cl1 Ru1 C6 C7 -6.9(5) . . . . ?
C2 Ru1 C6 C5 40.5(6) . . . . ?
C1 Ru1 C6 C5 134.0(4) . . . . ?
C7 Ru1 C6 C5 -116.9(5) . . . . ?
C4 Ru1 C6 C5 -38.0(3) . . . . ?
C3 Ru1 C6 C5 -78.9(4) . . . . ?
Cl1 Ru1 C6 C5 -123.8(3) . . . . ?
C2 Ru1 C6 C20 -80.1(6) . . . . ?
C1 Ru1 C6 C20 13.4(5) . . . . ?
C5 Ru1 C6 C20 -120.6(6) . . . . ?
C7 Ru1 C6 C20 122.5(7) . . . . ?
C4 Ru1 C6 C20 -158.7(6) . . . . ?
C3 Ru1 C6 C20 160.5(6) . . . . ?
Cl1 Ru1 C6 C20 115.6(4) . . . . ?
C5 C6 C7 C3 -7.0(7) . . . . ?
C20 C6 C7 C3 167.0(5) . . . . ?
Ru1 C6 C7 C3 -69.6(4) . . . . ?
C5 C6 C7 C14 -176.5(5) . . . . ?
C20 C6 C7 C14 -2.6(10) . . . . ?
Ru1 C6 C7 C14 120.9(6) . . . . ?
C5 C6 C7 Ru1 62.5(4) . . . . ?
C20 C6 C7 Ru1 -123.5(6) . . . . ?
O3 C3 C7 C6 -174.5(6) . . . . ?
C4 C3 C7 C6 11.0(7) . . . . ?
Ru1 C3 C7 C6 63.3(4) . . . . ?
O3 C3 C7 C14 -4.3(10) . . . . ?
C4 C3 C7 C14 -178.8(5) . . . . ?
Ru1 C3 C7 C14 -126.5(5) . . . . ?
O3 C3 C7 Ru1 122.1(6) . . . . ?
C4 C3 C7 Ru1 -52.3(4) . . . . ?
C2 Ru1 C7 C6 -69.6(12) . . . . ?
C1 Ru1 C7 C6 77.7(4) . . . . ?
C5 Ru1 C7 C6 -38.4(4) . . . . ?
C4 Ru1 C7 C6 -81.1(4) . . . . ?
C3 Ru1 C7 C6 -114.8(5) . . . . ?
Cl1 Ru1 C7 C6 175.0(3) . . . . ?
C2 Ru1 C7 C3 45.2(12) . . . . ?
C1 Ru1 C7 C3 -167.5(4) . . . . ?
C6 Ru1 C7 C3 114.8(5) . . . . ?
C5 Ru1 C7 C3 76.4(4) . . . . ?
C4 Ru1 C7 C3 33.7(3) . . . . ?
Cl1 Ru1 C7 C3 -70.2(3) . . . . ?
C2 Ru1 C7 C14 167.6(10) . . . . ?
C1 Ru1 C7 C14 -45.0(5) . . . . ?
C6 Ru1 C7 C14 -122.7(7) . . . . ?
C5 Ru1 C7 C14 -161.1(6) . . . . ?
C4 Ru1 C7 C14 156.1(6) . . . . ?
C3 Ru1 C7 C14 122.5(6) . . . . ?
Cl1 Ru1 C7 C14 52.2(5) . . . . ?
C5 C4 C8 C9 131.6(6) . . . . ?
C3 C4 C8 C9 -64.5(7) . . . . ?
Ru1 C4 C8 C9 37.7(7) . . . . ?
C5 C4 C8 C13 -52.1(8) . . . . ?
C3 C4 C8 C13 111.7(6) . . . . ?
Ru1 C4 C8 C13 -146.0(4) . . . . ?
C13 C8 C9 C10 0.0 . . . . ?
C4 C8 C9 C10 176.3(5) . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C11 C12 C13 C8 0.0 . . . . ?
C9 C8 C13 C12 0.0 . . . . ?
C4 C8 C13 C12 -176.3(5) . . . . ?
C6 C7 C14 C15 -43.4(8) . . . . ?
C3 C7 C14 C15 148.5(5) . . . . ?
Ru1 C7 C14 C15 47.9(6) . . . . ?
C6 C7 C14 C19 136.7(5) . . . . ?
C3 C7 C14 C19 -31.5(7) . . . . ?
Ru1 C7 C14 C19 -132.1(4) . . . . ?
C19 C14 C15 C16 0.0 . . . . ?
C7 C14 C15 C16 -180.0(5) . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C15 C16 C17 C18 0.0 . . . . ?
C16 C17 C18 C19 0.0 . . . . ?
C17 C18 C19 C14 0.0 . . . . ?
C15 C14 C19 C18 0.0 . . . . ?
C7 C14 C19 C18 180.0(5) . . . . ?
C7 C6 C20 C21 135.6(5) . . . . ?
C5 C6 C20 C21 -51.4(7) . . . . ?
Ru1 C6 C20 C21 40.5(6) . . . . ?
C7 C6 C20 C25 -42.4(7) . . . . ?
C5 C6 C20 C25 130.5(5) . . . . ?
Ru1 C6 C20 C25 -137.6(4) . . . . ?
C25 C20 C21 C22 0.0 . . . . ?
C6 C20 C21 C22 -178.0(5) . . . . ?
C20 C21 C22 C23 0.0 . . . . ?
C21 C22 C23 O4 177.5(6) . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
O4 C23 C24 C25 -177.8(5) . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 C20 0.0 . . . . ?
C21 C20 C25 C24 0.0 . . . . ?
C6 C20 C25 C24 178.1(5) . . . . ?
C4 C5 C27 C28 -54.9(7) . . . . ?
C6 C5 C27 C28 137.9(5) . . . . ?
Ru1 C5 C27 C28 43.6(7) . . . . ?
C4 C5 C27 C32 123.5(6) . . . . ?
C6 C5 C27 C32 -43.7(8) . . . . ?
Ru1 C5 C27 C32 -138.0(4) . . . . ?
C32 C27 C28 C29 0.0 . . . . ?
C5 C27 C28 C29 178.4(5) . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C28 C29 C30 O5 178.6(5) . . . . ?
C28 C29 C30 C31 0.0 . . . . ?
O5 C30 C31 C32 -178.5(6) . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C31 C32 C27 0.0 . . . . ?
C28 C27 C32 C31 0.0 . . . . ?
C5 C27 C32 C31 -178.4(5) . . . . ?
O3 Ag1 C34 N2 -86.9(7) . . . . ?
Cl1 Ag1 C34 N2 107.8(6) . . . . ?
O3 Ag1 C34 N1 96.0(6) . . . . ?
Cl1 Ag1 C34 N1 -69.3(6) . . . . ?
N1 C35 C36 N2 0.2(7) . . . . ?
C42 C37 C38 C39 0.0 . . . . ?
N1 C37 C38 C39 -177.0(5) . . . . ?
C42 C37 C38 C43 -178.1(7) . . . . ?
N1 C37 C38 C43 4.9(7) . . . . ?
C37 C38 C39 C40 0.0 . . . . ?
C43 C38 C39 C40 178.1(7) . . . . ?
C38 C39 C40 C41 0.0 . . . . ?
C39 C40 C41 C42 0.0 . . . . ?
C40 C41 C42 C37 0.0 . . . . ?
C40 C41 C42 C46 179.2(6) . . . . ?
C38 C37 C42 C41 0.0 . . . . ?
N1 C37 C42 C41 176.9(5) . . . . ?
C38 C37 C42 C46 -179.2(6) . . . . ?
N1 C37 C42 C46 -2.3(7) . . . . ?
C37 C38 C43 C44 -130.8(8) . . . . ?
C39 C38 C43 C44 51.1(10) . . . . ?
C37 C38 C43 C45 105.9(8) . . . . ?
C39 C38 C43 C45 -72.2(9) . . . . ?
C41 C42 C46 C48 -58.8(9) . . . . ?
C37 C42 C46 C48 120.4(8) . . . . ?
C41 C42 C46 C47 65.1(9) . . . . ?
C37 C42 C46 C47 -115.7(7) . . . . ?
C54 C49 C50 C51 0.0 . . . . ?
N2 C49 C50 C51 179.6(5) . . . . ?
C54 C49 C50 C55 178.8(5) . . . . ?
N2 C49 C50 C55 -1.6(6) . . . . ?
C49 C50 C51 C52 0.0 . . . . ?
C55 C50 C51 C52 -178.8(5) . . . . ?
C50 C51 C52 C53 0.0 . . . . ?
C51 C52 C53 C54 0.0 . . . . ?
C52 C53 C54 C49 0.0 . . . . ?
C52 C53 C54 C58 179.3(6) . . . . ?
C50 C49 C54 C53 0.0 . . . . ?
N2 C49 C54 C53 -179.6(5) . . . . ?
C50 C49 C54 C58 -179.3(6) . . . . ?
N2 C49 C54 C58 1.1(6) . . . . ?
C51 C50 C55 C57 -43.0(8) . . . . ?
C49 C50 C55 C57 138.2(6) . . . . ?
C51 C50 C55 C56 80.2(7) . . . . ?
C49 C50 C55 C56 -98.6(7) . . . . ?
C53 C54 C58 C59 -77.5(8) . . . . ?
C49 C54 C58 C59 101.8(7) . . . . ?
C53 C54 C58 C60 48.0(8) . . . . ?
C49 C54 C58 C60 -132.8(6) . . . . ?
N2 C34 N1 C35 -0.1(7) . . . . ?
Ag1 C34 N1 C35 177.7(4) . . . . ?
N2 C34 N1 C37 179.5(5) . . . . ?
Ag1 C34 N1 C37 -2.7(9) . . . . ?
C36 C35 N1 C34 -0.1(8) . . . . ?
C36 C35 N1 C37 -179.7(6) . . . . ?
C38 C37 N1 C34 94.4(6) . . . . ?
C42 C37 N1 C34 -82.6(7) . . . . ?
C38 C37 N1 C35 -86.0(7) . . . . ?
C42 C37 N1 C35 97.1(6) . . . . ?
N1 C34 N2 C36 0.2(7) . . . . ?
Ag1 C34 N2 C36 -177.3(5) . . . . ?
N1 C34 N2 C49 -179.4(5) . . . . ?
Ag1 C34 N2 C49 3.0(9) . . . . ?
C35 C36 N2 C34 -0.3(7) . . . . ?
C35 C36 N2 C49 179.4(5) . . . . ?
C50 C49 N2 C34 90.3(6) . . . . ?
C54 C49 N2 C34 -90.1(6) . . . . ?
C50 C49 N2 C36 -89.4(6) . . . . ?
C54 C49 N2 C36 90.2(6) . . . . ?
C4 C3 O3 Ag1 106.5(6) . . . . ?
C7 C3 O3 Ag1 -66.9(8) . . . . ?
Ru1 C3 O3 Ag1 20.3(8) . . . . ?
C34 Ag1 O3 C3 176.0(5) . . . . ?
Cl1 Ag1 O3 C3 -15.4(5) . . . . ?
C24 C23 O4 C26 -175.8(7) . . . . ?
C22 C23 O4 C26 6.5(10) . . . . ?
C29 C30 O5 C33 -172.8(6) . . . . ?
C31 C30 O5 C33 5.7(9) . . . . ?
C102 Ru2 Cl2 Ag2 -140.6(3) . . . . ?
C101 Ru2 Cl2 Ag2 130.1(3) . . . . ?
C106 Ru2 Cl2 Ag2 -38.0(3) . . . . ?
C105 Ru2 Cl2 Ag2 20.3(3) . . . . ?
C104 Ru2 Cl2 Ag2 28.42(19) . . . . ?
C107 Ru2 Cl2 Ag2 -35.26(18) . . . . ?
C103 Ru2 Cl2 Ag2 -1.37(17) . . . . ?
C134 Ag2 Cl2 Ru2 -175.6(2) . . . . ?
O103 Ag2 Cl2 Ru2 -1.93(14) . . . . ?
C102 Ru2 C101 O101 -162(100) . . . . ?
C106 Ru2 C101 O101 101(27) . . . . ?
C105 Ru2 C101 O101 76(27) . . . . ?
C104 Ru2 C101 O101 37(27) . . . . ?
C107 Ru2 C101 O101 51(27) . . . . ?
C103 Ru2 C101 O101 15(27) . . . . ?
Cl2 Ru2 C101 O101 -67(27) . . . . ?
C101 Ru2 C102 O102 -88(8) . . . . ?
C106 Ru2 C102 O102 45(8) . . . . ?
C105 Ru2 C102 O102 14(8) . . . . ?
C104 Ru2 C102 O102 31(8) . . . . ?
C107 Ru2 C102 O102 82(8) . . . . ?
C103 Ru2 C102 O102 96(8) . . . . ?
Cl2 Ru2 C102 O102 -180(100) . . . . ?
C102 Ru2 C103 O103 97.9(7) . . . . ?
C101 Ru2 C103 O103 -76.9(7) . . . . ?
C106 Ru2 C103 O103 159.9(7) . . . . ?
C105 Ru2 C103 O103 -155.9(7) . . . . ?
C104 Ru2 C103 O103 -116.0(8) . . . . ?
C107 Ru2 C103 O103 119.7(7) . . . . ?
Cl2 Ru2 C103 O103 8.9(6) . . . . ?
C102 Ru2 C103 C104 -146.1(5) . . . . ?
C101 Ru2 C103 C104 39.1(5) . . . . ?
C106 Ru2 C103 C104 -84.2(4) . . . . ?
C105 Ru2 C103 C104 -39.9(4) . . . . ?
C107 Ru2 C103 C104 -124.3(5) . . . . ?
Cl2 Ru2 C103 C104 124.8(4) . . . . ?
C102 Ru2 C103 C107 -21.8(6) . . . . ?
C101 Ru2 C103 C107 163.4(4) . . . . ?
C106 Ru2 C103 C107 40.2(3) . . . . ?
C105 Ru2 C103 C107 84.4(4) . . . . ?
C104 Ru2 C103 C107 124.3(5) . . . . ?
Cl2 Ru2 C103 C107 -110.8(3) . . . . ?
O103 C103 C104 C105 -173.6(6) . . . . ?
C107 C103 C104 C105 11.2(7) . . . . ?
Ru2 C103 C104 C105 63.0(4) . . . . ?
O103 C103 C104 C108 -8.0(9) . . . . ?
C107 C103 C104 C108 176.8(5) . . . . ?
Ru2 C103 C104 C108 -131.4(6) . . . . ?
O103 C103 C104 Ru2 123.3(6) . . . . ?
C107 C103 C104 Ru2 -51.8(4) . . . . ?
C102 Ru2 C104 C105 -23.4(9) . . . . ?
C101 Ru2 C104 C105 94.1(5) . . . . ?
C106 Ru2 C104 C105 -38.4(4) . . . . ?
C107 Ru2 C104 C105 -81.4(4) . . . . ?
C103 Ru2 C104 C105 -114.8(5) . . . . ?
Cl2 Ru2 C104 C105 -171.8(3) . . . . ?
C102 Ru2 C104 C103 91.4(8) . . . . ?
C101 Ru2 C104 C103 -151.2(4) . . . . ?
C106 Ru2 C104 C103 76.4(4) . . . . ?
C105 Ru2 C104 C103 114.8(5) . . . . ?
C107 Ru2 C104 C103 33.3(3) . . . . ?
Cl2 Ru2 C104 C103 -57.0(4) . . . . ?
C102 Ru2 C104 C108 -146.4(7) . . . . ?
C101 Ru2 C104 C108 -29.0(6) . . . . ?
C106 Ru2 C104 C108 -161.4(6) . . . . ?
C105 Ru2 C104 C108 -123.0(7) . . . . ?
C107 Ru2 C104 C108 155.6(6) . . . . ?
C103 Ru2 C104 C108 122.2(7) . . . . ?
Cl2 Ru2 C104 C108 65.2(5) . . . . ?
C103 C104 C105 C106 -7.0(7) . . . . ?
C108 C104 C105 C106 -171.3(6) . . . . ?
Ru2 C104 C105 C106 62.5(4) . . . . ?
C103 C104 C105 C120 165.9(5) . . . . ?
C108 C104 C105 C120 1.6(10) . . . . ?
Ru2 C104 C105 C120 -124.6(6) . . . . ?
C103 C104 C105 Ru2 -69.5(4) . . . . ?
C108 C104 C105 Ru2 126.2(6) . . . . ?
C102 Ru2 C105 C106 53.7(5) . . . . ?
C101 Ru2 C105 C106 149.7(4) . . . . ?
C104 Ru2 C105 C106 -116.6(5) . . . . ?
C107 Ru2 C105 C106 -37.9(3) . . . . ?
C103 Ru2 C105 C106 -79.0(4) . . . . ?
Cl2 Ru2 C105 C106 -103.7(4) . . . . ?
C102 Ru2 C105 C104 170.3(4) . . . . ?
C101 Ru2 C105 C104 -93.7(5) . . . . ?
C106 Ru2 C105 C104 116.6(5) . . . . ?
C107 Ru2 C105 C104 78.7(4) . . . . ?
C103 Ru2 C105 C104 37.6(4) . . . . ?
Cl2 Ru2 C105 C104 12.9(5) . . . . ?
C102 Ru2 C105 C120 -68.1(6) . . . . ?
C101 Ru2 C105 C120 27.9(6) . . . . ?
C106 Ru2 C105 C120 -121.8(7) . . . . ?
C104 Ru2 C105 C120 121.7(7) . . . . ?
C107 Ru2 C105 C120 -159.7(6) . . . . ?
C103 Ru2 C105 C120 159.2(6) . . . . ?
Cl2 Ru2 C105 C120 134.5(4) . . . . ?
C104 C105 C106 C107 -0.1(7) . . . . ?
C120 C105 C106 C107 -172.9(5) . . . . ?
Ru2 C105 C106 C107 63.9(4) . . . . ?
C104 C105 C106 C127 172.3(5) . . . . ?
C120 C105 C106 C127 -0.5(10) . . . . ?
Ru2 C105 C106 C127 -123.8(6) . . . . ?
C104 C105 C106 Ru2 -64.0(4) . . . . ?
C120 C105 C106 Ru2 123.3(6) . . . . ?
C102 Ru2 C106 C105 -136.5(4) . . . . ?
C101 Ru2 C106 C105 -42.4(6) . . . . ?
C104 Ru2 C106 C105 38.1(4) . . . . ?
C107 Ru2 C106 C105 117.0(5) . . . . ?
C103 Ru2 C106 C105 78.8(4) . . . . ?
Cl2 Ru2 C106 C105 121.4(3) . . . . ?
C102 Ru2 C106 C107 106.6(4) . . . . ?
C101 Ru2 C106 C107 -159.4(5) . . . . ?
C105 Ru2 C106 C107 -117.0(5) . . . . ?
C104 Ru2 C106 C107 -78.9(4) . . . . ?
C103 Ru2 C106 C107 -38.2(3) . . . . ?
Cl2 Ru2 C106 C107 4.4(5) . . . . ?
C102 Ru2 C106 C127 -16.6(5) . . . . ?
C101 Ru2 C106 C127 77.5(7) . . . . ?
C105 Ru2 C106 C127 119.9(6) . . . . ?
C104 Ru2 C106 C127 158.0(6) . . . . ?
C107 Ru2 C106 C127 -123.1(7) . . . . ?
C103 Ru2 C106 C127 -161.3(6) . . . . ?
Cl2 Ru2 C106 C127 -118.7(4) . . . . ?
C105 C106 C107 C103 7.0(7) . . . . ?
C127 C106 C107 C103 -165.2(6) . . . . ?
Ru2 C106 C107 C103 69.4(4) . . . . ?
C105 C106 C107 C114 -178.5(6) . . . . ?
C127 C106 C107 C114 9.2(10) . . . . ?
Ru2 C106 C107 C114 -116.1(6) . . . . ?
C105 C106 C107 Ru2 -62.4(4) . . . . ?
C127 C106 C107 Ru2 125.4(6) . . . . ?
O103 C103 C107 C106 173.8(6) . . . . ?
C104 C103 C107 C106 -11.2(7) . . . . ?
Ru2 C103 C107 C106 -63.0(4) . . . . ?
O103 C103 C107 C114 -0.8(10) . . . . ?
C104 C103 C107 C114 174.1(5) . . . . ?
Ru2 C103 C107 C114 122.3(6) . . . . ?
O103 C103 C107 Ru2 -123.2(6) . . . . ?
C104 C103 C107 Ru2 51.8(4) . . . . ?
C102 Ru2 C107 C106 -80.4(4) . . . . ?
C101 Ru2 C107 C106 65.3(13) . . . . ?
C105 Ru2 C107 C106 38.2(4) . . . . ?
C104 Ru2 C107 C106 81.1(4) . . . . ?
C103 Ru2 C107 C106 114.1(5) . . . . ?
Cl2 Ru2 C107 C106 -176.9(3) . . . . ?
C102 Ru2 C107 C103 165.5(4) . . . . ?
C101 Ru2 C107 C103 -48.8(13) . . . . ?
C106 Ru2 C107 C103 -114.1(5) . . . . ?
C105 Ru2 C107 C103 -75.9(4) . . . . ?
C104 Ru2 C107 C103 -33.0(3) . . . . ?
Cl2 Ru2 C107 C103 69.0(3) . . . . ?
C102 Ru2 C107 C114 42.0(5) . . . . ?
C101 Ru2 C107 C114 -172.4(11) . . . . ?
C106 Ru2 C107 C114 122.3(6) . . . . ?
C105 Ru2 C107 C114 160.5(5) . . . . ?
C104 Ru2 C107 C114 -156.6(5) . . . . ?
C103 Ru2 C107 C114 -123.6(6) . . . . ?
Cl2 Ru2 C107 C114 -54.5(4) . . . . ?
C105 C104 C108 C109 52.7(8) . . . . ?
C103 C104 C108 C109 -109.8(6) . . . . ?
Ru2 C104 C108 C109 147.1(4) . . . . ?
C105 C104 C108 C113 -132.2(6) . . . . ?
C103 C104 C108 C113 65.3(7) . . . . ?
Ru2 C104 C108 C113 -37.8(7) . . . . ?
C113 C108 C109 C110 0.0 . . . . ?
C104 C108 C109 C110 175.1(5) . . . . ?
C108 C109 C110 C111 0.0 . . . . ?
C109 C110 C111 C112 0.0 . . . . ?
C110 C111 C112 C113 0.0 . . . . ?
C111 C112 C113 C108 0.0 . . . . ?
C109 C108 C113 C112 0.0 . . . . ?
C104 C108 C113 C112 -175.1(5) . . . . ?
C106 C107 C114 C115 -153.6(5) . . . . ?
C103 C107 C114 C115 19.9(7) . . . . ?
Ru2 C107 C114 C115 118.7(4) . . . . ?
C106 C107 C114 C119 29.4(8) . . . . ?
C103 C107 C114 C119 -157.1(5) . . . . ?
Ru2 C107 C114 C119 -58.3(5) . . . . ?
C119 C114 C115 C116 0.0 . . . . ?
C107 C114 C115 C116 -177.0(5) . . . . ?
C114 C115 C116 C117 0.0 . . . . ?
C115 C116 C117 C118 0.0 . . . . ?
C116 C117 C118 C119 0.0 . . . . ?
C117 C118 C119 C114 0.0 . . . . ?
C115 C114 C119 C118 0.0 . . . . ?
C107 C114 C119 C118 177.0(5) . . . . ?
C106 C105 C120 C121 38.2(8) . . . . ?
C104 C105 C120 C121 -133.4(5) . . . . ?
Ru2 C105 C120 C121 131.3(4) . . . . ?
C106 C105 C120 C125 -141.1(5) . . . . ?
C104 C105 C120 C125 47.4(7) . . . . ?
Ru2 C105 C120 C125 -48.0(6) . . . . ?
C125 C120 C121 C122 0.0 . . . . ?
C105 C120 C121 C122 -179.3(5) . . . . ?
C120 C121 C122 C123 0.0 . . . . ?
C121 C122 C123 O104 176.3(5) . . . . ?
C121 C122 C123 C124 0.0 . . . . ?
O104 C123 C124 C125 -176.6(5) . . . . ?
C122 C123 C124 C125 0.0 . . . . ?
C123 C124 C125 C120 0.0 . . . . ?
C121 C120 C125 C124 0.0 . . . . ?
C105 C120 C125 C124 179.3(5) . . . . ?
C105 C106 C127 C128 -120.7(6) . . . . ?
C107 C106 C127 C128 50.3(7) . . . . ?
Ru2 C106 C127 C128 147.0(4) . . . . ?
C105 C106 C127 C132 57.4(7) . . . . ?
C107 C106 C127 C132 -131.6(6) . . . . ?
Ru2 C106 C127 C132 -34.9(6) . . . . ?
C132 C127 C128 C129 0.0 . . . . ?
C106 C127 C128 C129 178.1(5) . . . . ?
C127 C128 C129 C130 0.0 . . . . ?
C128 C129 C130 O105 179.5(6) . . . . ?
C128 C129 C130 C131 0.0 . . . . ?
O105 C130 C131 C132 -179.4(6) . . . . ?
C129 C130 C131 C132 0.0 . . . . ?
C130 C131 C132 C127 0.0 . . . . ?
C128 C127 C132 C131 0.0 . . . . ?
C106 C127 C132 C131 -178.0(5) . . . . ?
O103 Ag2 C134 N101 -98.5(8) . . . . ?
Cl2 Ag2 C134 N101 68.9(7) . . . . ?
O103 Ag2 C134 N102 82.9(8) . . . . ?
Cl2 Ag2 C134 N102 -109.7(6) . . . . ?
N101 C135 C136 N102 -0.1(9) . . . . ?
C142 C137 C138 C139 0.0 . . . . ?
N101 C137 C138 C139 -178.4(7) . . . . ?
C142 C137 C138 C143 -178.8(10) . . . . ?
N101 C137 C138 C143 2.7(11) . . . . ?
C137 C138 C139 C140 0.0 . . . . ?
C143 C138 C139 C140 178.9(10) . . . . ?
C138 C139 C140 C141 0.0 . . . . ?
C139 C140 C141 C142 0.0 . . . . ?
C140 C141 C142 C137 0.0 . . . . ?
C140 C141 C142 C146 -173.5(10) . . . . ?
C138 C137 C142 C141 0.0 . . . . ?
N101 C137 C142 C141 178.4(7) . . . . ?
C138 C137 C142 C146 173.4(10) . . . . ?
N101 C137 C142 C146 -8.2(10) . . . . ?
C137 C138 C143 C145 133.7(16) . . . . ?
C139 C138 C143 C145 -45(2) . . . . ?
C137 C138 C143 C144 -95.8(13) . . . . ?
C139 C138 C143 C144 85.3(13) . . . . ?
C141 C142 C146 C147 62.9(15) . . . . ?
C137 C142 C146 C147 -110.6(13) . . . . ?
C141 C142 C146 C148 -68.0(14) . . . . ?
C137 C142 C146 C148 118.5(11) . . . . ?
C154 C149 C150 C151 0.0 . . . . ?
N102 C149 C150 C151 -176.6(4) . . . . ?
C154 C149 C150 C155 -179.4(5) . . . . ?
N102 C149 C150 C155 4.0(6) . . . . ?
C149 C150 C151 C152 0.0 . . . . ?
C155 C150 C151 C152 179.4(5) . . . . ?
C150 C151 C152 C153 0.0 . . . . ?
C151 C152 C153 C154 0.0 . . . . ?
C152 C153 C154 C149 0.0 . . . . ?
C152 C153 C154 C158 -177.9(5) . . . . ?
C150 C149 C154 C153 0.0 . . . . ?
N102 C149 C154 C153 176.7(4) . . . . ?
C150 C149 C154 C158 177.8(5) . . . . ?
N102 C149 C154 C158 -5.5(6) . . . . ?
C151 C150 C155 C157 51.9(7) . . . . ?
C149 C150 C155 C157 -128.7(6) . . . . ?
C151 C150 C155 C156 -71.6(8) . . . . ?
C149 C150 C155 C156 107.8(7) . . . . ?
C153 C154 C158 C159 85.3(7) . . . . ?
C149 C154 C158 C159 -92.6(7) . . . . ?
C153 C154 C158 C160 -38.2(8) . . . . ?
C149 C154 C158 C160 143.9(6) . . . . ?
N102 C134 N101 C135 -0.3(9) . . . . ?
Ag2 C134 N101 C135 -179.2(6) . . . . ?
N102 C134 N101 C137 -175.4(8) . . . . ?
Ag2 C134 N101 C137 5.7(12) . . . . ?
C136 C135 N101 C134 0.2(10) . . . . ?
C136 C135 N101 C137 175.4(8) . . . . ?
C138 C137 N101 C134 -93.6(9) . . . . ?
C142 C137 N101 C134 88.0(9) . . . . ?
C138 C137 N101 C135 91.7(9) . . . . ?
C142 C137 N101 C135 -86.7(9) . . . . ?
N101 C134 N102 C136 0.2(8) . . . . ?
Ag2 C134 N102 C136 179.1(6) . . . . ?
N101 C134 N102 C149 -178.7(6) . . . . ?
Ag2 C134 N102 C149 0.1(10) . . . . ?
C135 C136 N102 C134 -0.1(9) . . . . ?
C135 C136 N102 C149 178.8(6) . . . . ?
C150 C149 N102 C134 -85.1(7) . . . . ?
C154 C149 N102 C134 98.2(6) . . . . ?
C150 C149 N102 C136 96.1(6) . . . . ?
C154 C149 N102 C136 -80.5(7) . . . . ?
C104 C103 O103 Ag2 -99.8(7) . . . . ?
C107 C103 O103 Ag2 74.3(8) . . . . ?
Ru2 C103 O103 Ag2 -13.9(8) . . . . ?
C134 Ag2 O103 C103 178.4(5) . . . . ?
Cl2 Ag2 O103 C103 8.8(5) . . . . ?
C122 C123 O104 C126 -3.4(8) . . . . ?
C124 C123 O104 C126 173.1(5) . . . . ?
C131 C130 O105 C133 3.2(11) . . . . ?
C129 C130 O105 C133 -176.2(7) . . . . ?
C501 C502 C503 C504 167(4) . . . . ?
C502 C503 C504 C505 148(5) . . . . ?
C601 C602 C603 C604 89(19) . . . . ?
C602 C603 C604 C605 27(28) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.03
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         1.038
_refine_diff_density_min         -0.795
_refine_diff_density_rms         0.096
_database_code_depnum_ccdc_archive 'CCDC 1016382'
#######################################################################
#
#                 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_6

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C63.75 H69 Cl Cu N2 O5 Ru'
_chemical_formula_weight         1143.27

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'
Cu Cu 0.3201 1.2651 '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           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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'

_cell_length_a                   15.469(3)
_cell_length_b                   20.983(5)
_cell_length_c                   37.639(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.260(3)
_cell_angle_gamma                90.00
_cell_volume                     12217(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    9817
_cell_measurement_theta_min      2.309
_cell_measurement_theta_max      22.0605

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4764
_exptl_absorpt_coefficient_mu    0.686
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.8807
_exptl_absorpt_correction_T_max  0.9101
_exptl_absorpt_process_details   
;
 Data were corrected for Lorentz polarization and absorption
 effects (empirical absorption corrections SADABS).
 R(int) = 0.0998 (selected reflections only, before parameter refinement)
 R(int) = 0.0711 (selected reflections only, after parameter refinement)
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      291(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            114909
_diffrn_reflns_av_R_equivalents  0.0838
_diffrn_reflns_av_sigmaI/netI    0.0651
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_theta_min         0.97
_diffrn_reflns_theta_max         25.03
_reflns_number_total             21528
_reflns_number_gt                14988
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1996)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. The following restraints
 were applied (given as SHELXL lines):  
 SIMU 0.005 $C $O
 isor .01 c49 > c60
 simu .005 n2 c49
 delu .005 n2 c49
 AFIX 66 on Ph rings
 dfix 1.51 c38 c43 c42 c46
 dfix 1.53 c43 c44 c43 c45 c46 c47 c46 c48
 dfix 1.51 c50 c55 c54 c58
 dfix 1.53 c55 c56 c55 c57 c58 c59 c58 c60
 dfix 1.51 c138 c143 c142 c146
 dfix 1.53 c143 c144 c143 c145 c146 c147 c146 c148
 dfix 1.51 c150 c155 c154 c158
 dfix 1.53 c155 c156 c155 c157 c158 c159 c158 c160
 same c505 < c501
 same c601 > c605
 dfix 1.53 c501 c502 c502 c503 c503 c504 c504 c505
 dfix -2.3 c501 c503 c502 c504 c503 c505
 dfix 1.53 c601 c602 c602 c603 c603 c604 c604 c605
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1688P)²+36.0900P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         21528
_refine_ls_number_parameters     1159
_refine_ls_number_restraints     918
_refine_ls_R_factor_all          0.1260
_refine_ls_R_factor_gt           0.0878
_refine_ls_wR_factor_ref         0.2824
_refine_ls_wR_factor_gt          0.2433
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.000
_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 0.27704(6) 0.26502(4) 0.24308(2) 0.0506(2) Uani 1 1 d . . .
Cu1 Cu 0.50394(9) 0.21593(6) 0.20166(3) 0.0571(3) Uani 1 1 d . . .
Cl1 Cl 0.3677(2) 0.27251(16) 0.19131(7) 0.0715(8) Uani 1 1 d . . .
C1 C 0.2670(12) 0.3542(6) 0.2470(4) 0.093(4) Uani 1 1 d U . .
C2 C 0.1711(9) 0.2611(6) 0.2175(3) 0.069(3) Uani 1 1 d U . .
O1 O 0.2631(9) 0.4069(4) 0.2499(3) 0.113(3) Uani 1 1 d U . .
O2 O 0.1057(7) 0.2597(5) 0.2052(3) 0.094(3) Uani 1 1 d U . .
C3 C 0.3928(7) 0.1978(5) 0.2622(3) 0.0531(15) Uani 1 1 d U . .
C4 C 0.3719(7) 0.2465(5) 0.2877(3) 0.0541(15) Uani 1 1 d U . .
C5 C 0.2840(7) 0.2360(5) 0.2992(3) 0.0525(15) Uani 1 1 d U . .
C6 C 0.2475(7) 0.1840(5) 0.2786(3) 0.0519(15) Uani 1 1 d U . .
C7 C 0.3126(7) 0.1628(5) 0.2545(3) 0.0525(15) Uani 1 1 d U . .
O3 O 0.4652(4) 0.1902(3) 0.24797(18) 0.0545(15) Uani 1 1 d U . .
C8 C 0.4372(5) 0.2877(3) 0.30479(17) 0.0617(17) Uani 1 1 d GU . .
C9 C 0.4536(5) 0.2809(3) 0.34093(17) 0.067(2) Uani 1 1 d GU . .
H9 H 0.4213 0.2524 0.3543 0.080 Uiso 1 1 calc R . .
C10 C 0.5183(5) 0.3169(4) 0.35705(14) 0.076(2) Uani 1 1 d GU . .
H10 H 0.5293 0.3124 0.3812 0.091 Uiso 1 1 calc R . .
C11 C 0.5666(5) 0.3595(4) 0.3370(2) 0.081(2) Uani 1 1 d GU . .
H11 H 0.6098 0.3836 0.3478 0.097 Uiso 1 1 calc R . .
C12 C 0.5501(5) 0.3663(4) 0.30087(19) 0.081(2) Uani 1 1 d GU . .
H12 H 0.5824 0.3948 0.2875 0.097 Uiso 1 1 calc R . .
C13 C 0.4854(5) 0.3303(4) 0.28476(14) 0.072(2) Uani 1 1 d GU . .
H13 H 0.4744 0.3348 0.2606 0.086 Uiso 1 1 calc R . .
C14 C 0.3047(5) 0.1120(3) 0.22618(16) 0.0567(16) Uani 1 1 d GU . .
C15 C 0.3787(4) 0.0786(3) 0.21676(19) 0.0664(19) Uani 1 1 d GU . .
H15 H 0.4309 0.0869 0.2283 0.080 Uiso 1 1 calc R . .
C16 C 0.3748(4) 0.0328(3) 0.1901(2) 0.076(2) Uani 1 1 d GU . .
H16 H 0.4243 0.0104 0.1838 0.091 Uiso 1 1 calc R . .
C17 C 0.2969(5) 0.0204(3) 0.17290(19) 0.079(2) Uani 1 1 d GU . .
H17 H 0.2943 -0.0102 0.1551 0.094 Uiso 1 1 calc R . .
C18 C 0.2229(4) 0.0539(4) 0.18232(19) 0.075(2) Uani 1 1 d GU . .
H18 H 0.1708 0.0456 0.1708 0.090 Uiso 1 1 calc R . .
C19 C 0.2268(4) 0.0997(3) 0.20896(19) 0.0665(19) Uani 1 1 d GU . .
H19 H 0.1773 0.1221 0.2153 0.080 Uiso 1 1 calc R . .
C20 C 0.1618(4) 0.1540(3) 0.2848(2) 0.0586(16) Uani 1 1 d GU . .
C21 C 0.1604(4) 0.0888(3) 0.2913(2) 0.068(2) Uani 1 1 d GU . .
H21 H 0.2115 0.0655 0.2908 0.081 Uiso 1 1 calc R . .
C22 C 0.0826(5) 0.0584(3) 0.2986(2) 0.077(2) Uani 1 1 d GU . .
H22 H 0.0816 0.0148 0.3030 0.092 Uiso 1 1 calc R . .
C23 C 0.0062(4) 0.0933(4) 0.2993(3) 0.084(2) Uani 1 1 d GU . .
C24 C 0.0076(4) 0.1585(3) 0.2928(2) 0.074(2) Uani 1 1 d GU . .
H24 H -0.0435 0.1818 0.2933 0.089 Uiso 1 1 calc R . .
C25 C 0.0854(5) 0.1888(3) 0.2855(2) 0.0654(19) Uani 1 1 d GU . .
H25 H 0.0864 0.2324 0.2811 0.079 Uiso 1 1 calc R . .
O4 O -0.0660(6) 0.0597(5) 0.3068(3) 0.100(2) Uani 1 1 d U . .
C26 C -0.1443(10) 0.0890(9) 0.3071(5) 0.117(4) Uani 1 1 d U . .
H26A H -0.1881 0.0588 0.3135 0.175 Uiso 1 1 calc R . .
H26B H -0.1566 0.1058 0.2839 0.175 Uiso 1 1 calc R . .
H26C H -0.1434 0.1232 0.3240 0.175 Uiso 1 1 calc R . .
C27 C 0.2412(5) 0.2682(3) 0.33016(14) 0.0549(16) Uani 1 1 d GU . .
C28 C 0.1952(5) 0.2323(2) 0.35473(17) 0.0599(18) Uani 1 1 d GU . .
H28 H 0.1906 0.1884 0.3519 0.072 Uiso 1 1 calc R . .
C29 C 0.1561(5) 0.2622(3) 0.38345(16) 0.0626(19) Uani 1 1 d GU . .
H29 H 0.1253 0.2382 0.3999 0.075 Uiso 1 1 calc R . .
C30 C 0.1629(5) 0.3278(3) 0.38761(15) 0.0641(17) Uani 1 1 d GU . .
C31 C 0.2089(5) 0.3636(2) 0.36304(17) 0.0614(18) Uani 1 1 d GU . .
H31 H 0.2135 0.4075 0.3658 0.074 Uiso 1 1 calc R . .
C32 C 0.2481(5) 0.3338(3) 0.33432(15) 0.0583(18) Uani 1 1 d GU . .
H32 H 0.2788 0.3578 0.3179 0.070 Uiso 1 1 calc R . .
O5 O 0.1230(6) 0.3616(4) 0.4140(2) 0.0749(18) Uani 1 1 d U . .
C33 C 0.0662(9) 0.3318(7) 0.4359(3) 0.082(3) Uani 1 1 d U . .
H33A H 0.0439 0.3619 0.4528 0.123 Uiso 1 1 calc R . .
H33B H 0.0951 0.2979 0.4483 0.123 Uiso 1 1 calc R . .
H33C H 0.0194 0.3145 0.4221 0.123 Uiso 1 1 calc R . .
C34 C 0.5908(8) 0.2228(5) 0.1676(3) 0.059(3) Uani 1 1 d . . .
N1 N 0.6237(5) 0.1800(4) 0.1444(2) 0.0462(18) Uani 1 1 d . . .
N2 N 0.6378(9) 0.2762(6) 0.1608(3) 0.090(3) Uani 1 1 d U . .
C35 C 0.6885(8) 0.2066(6) 0.1243(3) 0.066(3) Uani 1 1 d U . .
H35 H 0.7196 0.1863 0.1065 0.080 Uiso 1 1 calc R . .
C36 C 0.6985(8) 0.2655(6) 0.1349(3) 0.069(3) Uani 1 1 d U . .
H36 H 0.7390 0.2945 0.1265 0.083 Uiso 1 1 calc R . .
C37 C 0.5944(5) 0.1174(3) 0.1388(2) 0.066(2) Uani 1 1 d GU . .
C38 C 0.6262(5) 0.0672(4) 0.15907(18) 0.0748(19) Uani 1 1 d GDU . .
C39 C 0.6006(6) 0.0051(3) 0.1516(2) 0.081(2) Uani 1 1 d GU . .
H39 H 0.6219 -0.0285 0.1652 0.097 Uiso 1 1 calc R . .
C40 C 0.5432(6) -0.0068(3) 0.1239(2) 0.084(2) Uani 1 1 d GU . .
H40 H 0.5261 -0.0483 0.1189 0.101 Uiso 1 1 calc R . .
C41 C 0.5114(5) 0.0434(4) 0.10359(19) 0.082(2) Uani 1 1 d GU . .
H41 H 0.4730 0.0355 0.0850 0.098 Uiso 1 1 calc R . .
C42 C 0.5370(5) 0.1055(3) 0.11103(19) 0.0721(19) Uani 1 1 d GDU . .
C43 C 0.6883(8) 0.0795(7) 0.1900(3) 0.084(2) Uani 1 1 d DU . .
H43 H 0.7107 0.1230 0.1876 0.101 Uiso 1 1 calc R . .
C44 C 0.6447(10) 0.0739(9) 0.2264(4) 0.102(4) Uani 1 1 d DU . .
H44A H 0.6863 0.0828 0.2448 0.154 Uiso 1 1 calc R . .
H44B H 0.6226 0.0315 0.2294 0.154 Uiso 1 1 calc R . .
H44C H 0.5981 0.1040 0.2279 0.154 Uiso 1 1 calc R . .
C45 C 0.7663(10) 0.0332(7) 0.1896(5) 0.105(4) Uani 1 1 d DU . .
H45A H 0.7957 0.0365 0.1673 0.157 Uiso 1 1 calc R . .
H45B H 0.7462 -0.0097 0.1928 0.157 Uiso 1 1 calc R . .
H45C H 0.8055 0.0440 0.2085 0.157 Uiso 1 1 calc R . .
C46 C 0.5002(8) 0.1584(6) 0.0888(3) 0.080(2) Uani 1 1 d DU . .
H46 H 0.5392 0.1950 0.0911 0.096 Uiso 1 1 calc R . .
C47 C 0.4924(10) 0.1424(8) 0.0488(3) 0.094(3) Uani 1 1 d DU . .
H47A H 0.4689 0.1784 0.0363 0.140 Uiso 1 1 calc R . .
H47B H 0.4549 0.1064 0.0457 0.140 Uiso 1 1 calc R . .
H47C H 0.5486 0.1326 0.0395 0.140 Uiso 1 1 calc R . .
C48 C 0.4132(10) 0.1784(9) 0.1033(4) 0.102(4) Uani 1 1 d DU . .
H48A H 0.3904 0.2126 0.0892 0.153 Uiso 1 1 calc R . .
H48B H 0.4199 0.1924 0.1275 0.153 Uiso 1 1 calc R . .
H48C H 0.3741 0.1429 0.1025 0.153 Uiso 1 1 calc R . .
C49 C 0.6286(9) 0.3332(5) 0.1795(3) 0.108(2) Uani 1 1 d GU . .
C50 C 0.5707(8) 0.3808(7) 0.1697(3) 0.125(3) Uani 1 1 d GDU . .
C51 C 0.5702(8) 0.4384(6) 0.1878(4) 0.132(3) Uani 1 1 d GU . .
H51 H 0.5315 0.4703 0.1813 0.158 Uiso 1 1 calc R . .
C52 C 0.6276(9) 0.4485(5) 0.2158(3) 0.132(3) Uani 1 1 d GU . .
H52 H 0.6273 0.4871 0.2279 0.159 Uiso 1 1 calc R . .
C53 C 0.6855(8) 0.4009(7) 0.2256(3) 0.129(3) Uani 1 1 d GU . .
H53 H 0.7239 0.4077 0.2443 0.154 Uiso 1 1 calc R . .
C54 C 0.6860(8) 0.3433(6) 0.2074(3) 0.123(3) Uani 1 1 d GDU . .
C55 C 0.5091(12) 0.3744(10) 0.1380(5) 0.136(3) Uani 1 1 d DU . .
H55 H 0.4976 0.3289 0.1349 0.164 Uiso 1 1 calc R . .
C56 C 0.4194(14) 0.4085(11) 0.1410(7) 0.159(5) Uani 1 1 d DU . .
H56A H 0.3910 0.3950 0.1623 0.239 Uiso 1 1 calc R . .
H56B H 0.3843 0.3976 0.1208 0.239 Uiso 1 1 calc R . .
H56C H 0.4278 0.4538 0.1417 0.239 Uiso 1 1 calc R . .
C57 C 0.5582(15) 0.3971(11) 0.1049(5) 0.149(5) Uani 1 1 d DU . .
H57A H 0.5213 0.3936 0.0844 0.224 Uiso 1 1 calc R . .
H57B H 0.6086 0.3711 0.1016 0.224 Uiso 1 1 calc R . .
H57C H 0.5753 0.4407 0.1080 0.224 Uiso 1 1 calc R . .
C58 C 0.7436(12) 0.2910(9) 0.2203(5) 0.136(3) Uani 1 1 d DU . .
H58 H 0.7372 0.2569 0.2026 0.163 Uiso 1 1 calc R . .
C59 C 0.8391(14) 0.3100(12) 0.2188(7) 0.164(5) Uani 1 1 d DU . .
H59A H 0.8523 0.3263 0.1956 0.246 Uiso 1 1 calc R . .
H59B H 0.8745 0.2734 0.2236 0.246 Uiso 1 1 calc R . .
H59C H 0.8505 0.3423 0.2363 0.246 Uiso 1 1 calc R . .
C60 C 0.7228(16) 0.2600(12) 0.2557(6) 0.156(5) Uani 1 1 d DU . .
H60A H 0.7625 0.2257 0.2601 0.234 Uiso 1 1 calc R . .
H60B H 0.6648 0.2437 0.2551 0.234 Uiso 1 1 calc R . .
H60C H 0.7280 0.2911 0.2743 0.234 Uiso 1 1 calc R . .
Ru2 Ru 0.78203(6) 0.30200(4) 0.01189(2) 0.0494(2) Uani 1 1 d . . .
Cu2 Cu 1.00937(9) 0.24070(6) 0.05093(3) 0.0558(3) Uani 1 1 d . . .
Cl2 Cl 0.8756(2) 0.30070(16) 0.06415(7) 0.0727(8) Uani 1 1 d . . .
C101 C 0.7688(11) 0.3906(6) 0.0136(3) 0.087(3) Uani 1 1 d U . .
C102 C 0.6798(9) 0.2920(6) 0.0365(3) 0.070(3) Uani 1 1 d U . .
O101 O 0.7628(9) 0.4449(4) 0.0151(3) 0.109(3) Uani 1 1 d U . .
O102 O 0.6118(7) 0.2854(5) 0.0487(2) 0.085(2) Uani 1 1 d U . .
C103 C 0.8979(7) 0.2407(5) -0.0115(3) 0.0492(15) Uani 1 1 d U . .
C104 C 0.8736(7) 0.2939(5) -0.0338(3) 0.0537(16) Uani 1 1 d U . .
C105 C 0.7846(7) 0.2844(5) -0.0461(3) 0.0521(15) Uani 1 1 d U . .
C106 C 0.7519(7) 0.2283(5) -0.0283(3) 0.0507(15) Uani 1 1 d U . .
C107 C 0.8161(7) 0.2044(5) -0.0054(2) 0.0476(15) Uani 1 1 d U . .
O103 O 0.9715(4) 0.2311(3) 0.00238(17) 0.0521(15) Uani 1 1 d U . .
C108 C 0.9363(5) 0.3412(4) -0.04751(19) 0.0664(18) Uani 1 1 d GU . .
C109 C 0.9807(6) 0.3817(4) -0.02461(15) 0.080(2) Uani 1 1 d GU . .
H109 H 0.9698 0.3804 -0.0003 0.096 Uiso 1 1 calc R . .
C110 C 1.0415(6) 0.4241(4) -0.0380(2) 0.090(2) Uani 1 1 d GU . .
H110 H 1.0712 0.4511 -0.0226 0.108 Uiso 1 1 calc R . .
C111 C 1.0578(5) 0.4260(4) -0.0742(2) 0.092(2) Uani 1 1 d GU . .
H111 H 1.0984 0.4543 -0.0832 0.110 Uiso 1 1 calc R . .
C112 C 1.0133(6) 0.3855(4) -0.09715(16) 0.086(2) Uani 1 1 d GU . .
H112 H 1.0242 0.3868 -0.1214 0.103 Uiso 1 1 calc R . .
C113 C 0.9526(5) 0.3431(4) -0.08378(18) 0.075(2) Uani 1 1 d GU . .
H113 H 0.9228 0.3160 -0.0991 0.090 Uiso 1 1 calc R . .
C114 C 0.8172(4) 0.1447(3) 0.01607(18) 0.0519(15) Uani 1 1 d GU . .
C115 C 0.8875(4) 0.1035(3) 0.01473(18) 0.0605(18) Uani 1 1 d GU . .
H115 H 0.9351 0.1137 0.0008 0.073 Uiso 1 1 calc R . .
C116 C 0.8866(4) 0.0472(3) 0.0341(2) 0.069(2) Uani 1 1 d GU . .
H116 H 0.9336 0.0196 0.0333 0.082 Uiso 1 1 calc R . .
C117 C 0.8154(5) 0.0320(3) 0.05490(19) 0.071(2) Uani 1 1 d GU . .
H117 H 0.8148 -0.0057 0.0679 0.085 Uiso 1 1 calc R . .
C118 C 0.7451(4) 0.0732(3) 0.05624(19) 0.068(2) Uani 1 1 d GU . .
H118 H 0.6975 0.0630 0.0701 0.081 Uiso 1 1 calc R . .
C119 C 0.7460(4) 0.1295(3) 0.03682(19) 0.0593(18) Uani 1 1 d GU . .
H119 H 0.6990 0.1571 0.0377 0.071 Uiso 1 1 calc R . .
C120 C 0.7407(5) 0.3194(3) -0.07562(15) 0.0570(16) Uani 1 1 d GU . .
C121 C 0.7052(5) 0.2836(2) -0.10316(17) 0.0610(18) Uani 1 1 d GU . .
H121 H 0.7076 0.2394 -0.1024 0.073 Uiso 1 1 calc R . .
C122 C 0.6662(5) 0.3141(3) -0.13185(16) 0.068(2) Uani 1 1 d GU . .
H122 H 0.6425 0.2901 -0.1503 0.081 Uiso 1 1 calc R . .
C123 C 0.6627(6) 0.3802(3) -0.13301(17) 0.0747(19) Uani 1 1 d GU . .
C124 C 0.6981(6) 0.4160(2) -0.10548(19) 0.074(2) Uani 1 1 d GU . .
H124 H 0.6957 0.4602 -0.1063 0.088 Uiso 1 1 calc R . .
C125 C 0.7371(5) 0.3855(3) -0.07678(16) 0.0668(19) Uani 1 1 d GU . .
H125 H 0.7608 0.4095 -0.0584 0.080 Uiso 1 1 calc R . .
O104 O 0.6230(6) 0.4149(4) -0.1593(2) 0.088(2) Uani 1 1 d U . .
C126 C 0.5778(11) 0.3807(8) -0.1856(4) 0.098(4) Uani 1 1 d U . .
H12A H 0.5528 0.4100 -0.2023 0.148 Uiso 1 1 calc R . .
H12B H 0.5328 0.3560 -0.1748 0.148 Uiso 1 1 calc R . .
H12C H 0.6170 0.3528 -0.1977 0.148 Uiso 1 1 calc R . .
C127 C 0.6666(3) 0.1991(3) -0.0348(2) 0.0540(16) Uani 1 1 d GU . .
C128 C 0.5909(4) 0.2347(2) -0.03539(19) 0.0588(18) Uani 1 1 d GU . .
H128 H 0.5929 0.2784 -0.0312 0.071 Uiso 1 1 calc R . .
C129 C 0.5121(4) 0.2051(3) -0.0422(2) 0.0668(19) Uani 1 1 d GU . .
H129 H 0.4614 0.2290 -0.0425 0.080 Uiso 1 1 calc R . .
C130 C 0.5091(4) 0.1399(3) -0.0484(2) 0.0730(18) Uani 1 1 d GU . .
C131 C 0.5848(5) 0.1042(2) -0.0478(2) 0.070(2) Uani 1 1 d GU . .
H131 H 0.5828 0.0605 -0.0520 0.084 Uiso 1 1 calc R . .
C132 C 0.6636(4) 0.1338(3) -0.0410(2) 0.0613(19) Uani 1 1 d GU . .
H132 H 0.7142 0.1100 -0.0407 0.074 Uiso 1 1 calc R . .
O105 O 0.4349(6) 0.1056(5) -0.0535(3) 0.090(2) Uani 1 1 d U . .
C133 C 0.3583(10) 0.1394(9) -0.0570(5) 0.112(4) Uani 1 1 d U . .
H13A H 0.3111 0.1102 -0.0601 0.167 Uiso 1 1 calc R . .
H13B H 0.3617 0.1670 -0.0773 0.167 Uiso 1 1 calc R . .
H13C H 0.3491 0.1645 -0.0360 0.167 Uiso 1 1 calc R . .
C134 C 1.0995(7) 0.2317(5) 0.0846(3) 0.051(2) Uani 1 1 d . . .
N101 N 1.1544(6) 0.2791(4) 0.0948(2) 0.052(2) Uani 1 1 d . . .
N102 N 1.1287(5) 0.1814(4) 0.1037(2) 0.0482(19) Uani 1 1 d . . .
C135 C 1.2137(7) 0.2586(5) 0.1193(3) 0.055(2) Uani 1 1 d U . .
H135 H 1.2573 0.2827 0.1298 0.066 Uiso 1 1 calc R . .
C136 C 1.1969(7) 0.1972(5) 0.1253(3) 0.056(2) Uani 1 1 d U . .
H136 H 1.2258 0.1704 0.1410 0.067 Uiso 1 1 calc R . .
C137 C 1.1545(7) 0.3412(3) 0.0803(2) 0.079(2) Uani 1 1 d GU . .
C138 C 1.1129(7) 0.3901(4) 0.0984(2) 0.087(2) Uani 1 1 d GDU . .
C139 C 1.1114(6) 0.4513(3) 0.0842(2) 0.093(2) Uani 1 1 d GU . .
H139 H 1.0836 0.4840 0.0962 0.112 Uiso 1 1 calc R . .
C140 C 1.1515(7) 0.4635(3) 0.0519(2) 0.095(2) Uani 1 1 d GU . .
H140 H 1.1505 0.5044 0.0424 0.114 Uiso 1 1 calc R . .
C141 C 1.1931(7) 0.4146(4) 0.0338(2) 0.092(2) Uani 1 1 d GU . .
H141 H 1.2199 0.4228 0.0123 0.110 Uiso 1 1 calc R . .
C142 C 1.1946(6) 0.3535(3) 0.0481(2) 0.085(2) Uani 1 1 d GDU . .
C143 C 1.0730(9) 0.3785(7) 0.1335(3) 0.096(3) Uani 1 1 d DU . .
H143 H 1.0677 0.3323 0.1367 0.115 Uiso 1 1 calc R . .
C144 C 0.9860(11) 0.4068(8) 0.1368(5) 0.118(4) Uani 1 1 d DU . .
H14A H 0.9629 0.3970 0.1598 0.177 Uiso 1 1 calc R . .
H14B H 0.9487 0.3896 0.1187 0.177 Uiso 1 1 calc R . .
H14C H 0.9898 0.4522 0.1341 0.177 Uiso 1 1 calc R . .
C145 C 1.1284(12) 0.4051(8) 0.1643(4) 0.115(4) Uani 1 1 d DU . .
H14D H 1.1001 0.3965 0.1865 0.172 Uiso 1 1 calc R . .
H14E H 1.1353 0.4502 0.1614 0.172 Uiso 1 1 calc R . .
H14F H 1.1841 0.3849 0.1642 0.172 Uiso 1 1 calc R . .
C146 C 1.2415(9) 0.3002(6) 0.0283(4) 0.091(3) Uani 1 1 d DU . .
H146 H 1.2340 0.2602 0.0413 0.109 Uiso 1 1 calc R . .
C147 C 1.2058(12) 0.2920(8) -0.0089(4) 0.111(4) Uani 1 1 d DU . .
H14G H 1.2358 0.2580 -0.0206 0.167 Uiso 1 1 calc R . .
H14H H 1.2136 0.3308 -0.0220 0.167 Uiso 1 1 calc R . .
H14I H 1.1453 0.2821 -0.0077 0.167 Uiso 1 1 calc R . .
C148 C 1.3377(10) 0.3154(9) 0.0260(5) 0.112(4) Uani 1 1 d DU . .
H14J H 1.3667 0.2819 0.0134 0.168 Uiso 1 1 calc R . .
H14K H 1.3613 0.3188 0.0496 0.168 Uiso 1 1 calc R . .
H14L H 1.3455 0.3550 0.0137 0.168 Uiso 1 1 calc R . .
C149 C 1.0916(5) 0.1196(3) 0.1028(2) 0.0628(19) Uani 1 1 d GU . .
C150 C 1.1238(4) 0.0743(3) 0.07935(19) 0.0680(18) Uani 1 1 d GDU . .
C151 C 1.0901(5) 0.0129(3) 0.0793(2) 0.077(2) Uani 1 1 d GU . .
H151 H 1.1116 -0.0174 0.0636 0.092 Uiso 1 1 calc R . .
C152 C 1.0242(5) -0.0032(3) 0.1026(2) 0.081(2) Uani 1 1 d GU . .
H152 H 1.0016 -0.0443 0.1025 0.097 Uiso 1 1 calc R . .
C153 C 0.9920(5) 0.0421(4) 0.1260(2) 0.081(2) Uani 1 1 d GU . .
H153 H 0.9479 0.0313 0.1416 0.097 Uiso 1 1 calc R . .
C154 C 1.0258(5) 0.1035(3) 0.1261(2) 0.0740(19) Uani 1 1 d GDU . .
C155 C 1.1965(7) 0.0912(5) 0.0536(3) 0.074(2) Uani 1 1 d DU . .
H155 H 1.2276 0.1281 0.0634 0.089 Uiso 1 1 calc R . .
C156 C 1.2618(9) 0.0377(7) 0.0481(4) 0.097(4) Uani 1 1 d DU . .
H15A H 1.3059 0.0517 0.0321 0.145 Uiso 1 1 calc R . .
H15B H 1.2329 0.0012 0.0383 0.145 Uiso 1 1 calc R . .
H15C H 1.2875 0.0266 0.0705 0.145 Uiso 1 1 calc R . .
C157 C 1.1584(9) 0.1107(7) 0.0172(3) 0.086(3) Uani 1 1 d DU . .
H15D H 1.2045 0.1223 0.0014 0.130 Uiso 1 1 calc R . .
H15E H 1.1204 0.1465 0.0202 0.130 Uiso 1 1 calc R . .
H15F H 1.1267 0.0756 0.0073 0.130 Uiso 1 1 calc R . .
C158 C 0.9902(8) 0.1517(6) 0.1521(3) 0.084(2) Uani 1 1 d DU . .
H158 H 1.0309 0.1875 0.1523 0.100 Uiso 1 1 calc R . .
C159 C 0.9044(9) 0.1782(8) 0.1391(4) 0.102(4) Uani 1 1 d DU . .
H15G H 0.8838 0.2094 0.1556 0.153 Uiso 1 1 calc R . .
H15H H 0.8631 0.1442 0.1372 0.153 Uiso 1 1 calc R . .
H15I H 0.9121 0.1977 0.1162 0.153 Uiso 1 1 calc R . .
C160 C 0.9846(10) 0.1275(8) 0.1902(4) 0.098(4) Uani 1 1 d DU . .
H16A H 1.0403 0.1121 0.1977 0.147 Uiso 1 1 calc R . .
H16B H 0.9432 0.0936 0.1915 0.147 Uiso 1 1 calc R . .
H16C H 0.9670 0.1617 0.2055 0.147 Uiso 1 1 calc R . .
C501 C 1.052(3) 0.446(2) 0.2756(12) 0.326(15) Uiso 1 1 d DU . .
H50A H 1.1053 0.4341 0.2644 0.489 Uiso 1 1 calc R . .
H50B H 1.0633 0.4786 0.2930 0.489 Uiso 1 1 calc R . .
H50C H 1.0127 0.4624 0.2579 0.489 Uiso 1 1 calc R . .
C502 C 1.012(3) 0.388(2) 0.2936(13) 0.332(13) Uiso 1 1 d DU . .
H50D H 1.0078 0.3550 0.2758 0.398 Uiso 1 1 calc R . .
H50E H 1.0534 0.3735 0.3112 0.398 Uiso 1 1 calc R . .
C503 C 0.924(3) 0.392(2) 0.3119(12) 0.334(13) Uiso 1 1 d DU . .
H50F H 0.8784 0.3860 0.2947 0.401 Uiso 1 1 calc R . .
H50G H 0.9173 0.4334 0.3229 0.401 Uiso 1 1 calc R . .
C504 C 0.920(3) 0.339(2) 0.3404(12) 0.337(13) Uiso 1 1 d DU . .
H50H H 0.9762 0.3369 0.3521 0.405 Uiso 1 1 calc R . .
H50I H 0.9110 0.2988 0.3285 0.405 Uiso 1 1 calc R . .
C505 C 0.850(3) 0.346(2) 0.3694(11) 0.346(15) Uiso 1 1 d DU . .
H50J H 0.8487 0.3085 0.3837 0.519 Uiso 1 1 calc R . .
H50K H 0.7950 0.3529 0.3584 0.519 Uiso 1 1 calc R . .
H50L H 0.8640 0.3824 0.3842 0.519 Uiso 1 1 calc R . .
C601 C 0.3516(15) 0.4050(12) 0.8567(5) 0.066(5) Uiso 0.50 1 d PDU A -1
H60D H 0.2977 0.3882 0.8481 0.099 Uiso 0.50 1 calc PR A -1
H60E H 0.3986 0.3834 0.8452 0.099 Uiso 0.50 1 calc PR A -1
H60F H 0.3547 0.4498 0.8514 0.099 Uiso 0.50 1 calc PR A -1
C602 C 0.358(2) 0.395(2) 0.8974(6) 0.137(7) Uiso 0.50 1 d PDU A -1
H60G H 0.3477 0.4361 0.9083 0.165 Uiso 0.50 1 calc PR A -1
H60H H 0.3100 0.3678 0.9040 0.165 Uiso 0.50 1 calc PR A -1
C603 C 0.439(2) 0.3669(18) 0.9157(9) 0.147(8) Uiso 0.50 1 d PDU A -1
H60I H 0.4242 0.3301 0.9299 0.177 Uiso 0.50 1 calc PR A -1
H60J H 0.4816 0.3541 0.8981 0.177 Uiso 0.50 1 calc PR A -1
C604 C 0.476(3) 0.4207(19) 0.9393(11) 0.160(8) Uiso 0.50 1 d PDU A -1
H60K H 0.4296 0.4520 0.9392 0.193 Uiso 0.50 1 calc PR A -1
H60L H 0.5209 0.4391 0.9248 0.193 Uiso 0.50 1 calc PR A -1
C605 C 0.513(3) 0.426(2) 0.9775(11) 0.180(11) Uiso 0.50 1 d PDU A -1
H60M H 0.5423 0.4659 0.9802 0.270 Uiso 0.50 1 calc PR A -1
H60N H 0.5533 0.3917 0.9815 0.270 Uiso 0.50 1 calc PR A -1
H60O H 0.4669 0.4230 0.9944 0.270 Uiso 0.50 1 calc PR A -1


_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 C1 1.884(12) . ?
Ru1 C2 1.897(14) . ?
Ru1 C5 2.201(10) . ?
Ru1 C6 2.211(10) . ?
Ru1 C7 2.255(10) . ?
Ru1 C4 2.259(11) . ?
Ru1 C3 2.388(11) . ?
Ru1 Cl1 2.411(3) . ?
Cu1 C34 1.868(11) . ?
Cu1 O3 1.923(7) . ?
Cu1 Cl1 2.449(3) . ?
C1 O1 1.112(14) . ?
C2 O2 1.112(15) . ?
C3 O3 1.252(12) . ?
C3 C4 1.440(14) . ?
C3 C7 1.470(16) . ?
C4 C5 1.446(15) . ?
C4 C8 1.475(12) . ?
C5 C6 1.451(14) . ?
C5 C27 1.503(10) . ?
C6 C7 1.431(14) . ?
C6 C20 1.487(11) . ?
C7 C14 1.510(11) . ?
C8 C9 1.3900 . ?
C8 C13 1.3900 . ?
C9 C10 1.3900 . ?
C9 H9 0.9300 . ?
C10 C11 1.3900 . ?
C10 H10 0.9300 . ?
C11 C12 1.3900 . ?
C11 H11 0.9300 . ?
C12 C13 1.3900 . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.3900 . ?
C14 C19 1.3900 . ?
C15 C16 1.3900 . ?
C15 H15 0.9300 . ?
C16 C17 1.3900 . ?
C16 H16 0.9300 . ?
C17 C18 1.3900 . ?
C17 H17 0.9300 . ?
C18 C19 1.3900 . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C21 1.3900 . ?
C20 C25 1.3900 . ?
C21 C22 1.3900 . ?
C21 H21 0.9300 . ?
C22 C23 1.3900 . ?
C22 H22 0.9300 . ?
C23 O4 1.352(10) . ?
C23 C24 1.3900 . ?
C24 C25 1.3900 . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
O4 C26 1.358(19) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.3900 . ?
C27 C32 1.3900 . ?
C28 C29 1.3900 . ?
C28 H28 0.9300 . ?
C29 C30 1.3900 . ?
C29 H29 0.9300 . ?
C30 O5 1.370(8) . ?
C30 C31 1.3900 . ?
C31 C32 1.3900 . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
O5 C33 1.361(15) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 N1 1.353(13) . ?
C34 N2 1.362(15) . ?
N1 C35 1.376(13) . ?
N1 C37 1.405(9) . ?
N2 C36 1.376(16) . ?
N2 C49 1.394(14) . ?
C35 C36 1.307(16) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C38 1.3900 . ?
C37 C42 1.3900 . ?
C38 C39 1.3900 . ?
C38 C43 1.528(12) . ?
C39 C40 1.3900 . ?
C39 H39 0.9300 . ?
C40 C41 1.3900 . ?
C40 H40 0.9300 . ?
C41 C42 1.3900 . ?
C41 H41 0.9300 . ?
C42 C46 1.499(12) . ?
C43 C44 1.535(14) . ?
C43 C45 1.550(14) . ?
C43 H43 0.9800 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 C48 1.515(15) . ?
C46 C47 1.549(14) . ?
C46 H46 0.9800 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 C50 1.3900 . ?
C49 C54 1.3900 . ?
C50 C51 1.3900 . ?
C50 C55 1.527(15) . ?
C51 C52 1.3900 . ?
C51 H51 0.9300 . ?
C52 C53 1.3900 . ?
C52 H52 0.9300 . ?
C53 C54 1.3900 . ?
C53 H53 0.9300 . ?
C54 C58 1.492(16) . ?
C55 C57 1.538(17) . ?
C55 C56 1.566(17) . ?
C55 H55 0.9800 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C58 C60 1.520(17) . ?
C58 C59 1.532(17) . ?
C58 H58 0.9800 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
Ru2 C102 1.849(13) . ?
Ru2 C101 1.872(12) . ?
Ru2 C106 2.212(10) . ?
Ru2 C105 2.212(10) . ?
Ru2 C107 2.213(9) . ?
Ru2 C104 2.239(11) . ?
Ru2 C103 2.377(10) . ?
Ru2 Cl2 2.437(3) . ?
Cu2 C134 1.888(11) . ?
Cu2 O103 1.927(7) . ?
Cu2 Cl2 2.475(3) . ?
C101 O101 1.143(14) . ?
C102 O102 1.157(15) . ?
C103 O103 1.267(12) . ?
C103 C104 1.446(14) . ?
C103 C107 1.495(15) . ?
C104 C105 1.463(16) . ?
C104 C108 1.481(12) . ?
C105 C106 1.446(14) . ?
C105 C120 1.494(10) . ?
C106 C107 1.407(14) . ?
C106 C127 1.474(11) . ?
C107 C114 1.491(10) . ?
C108 C109 1.3900 . ?
C108 C113 1.3900 . ?
C109 C110 1.3900 . ?
C109 H109 0.9300 . ?
C110 C111 1.3900 . ?
C110 H110 0.9300 . ?
C111 C112 1.3900 . ?
C111 H111 0.9300 . ?
C112 C113 1.3900 . ?
C112 H112 0.9300 . ?
C113 H113 0.9300 . ?
C114 C115 1.3900 . ?
C114 C119 1.3900 . ?
C115 C116 1.3900 . ?
C115 H115 0.9300 . ?
C116 C117 1.3900 . ?
C116 H116 0.9300 . ?
C117 C118 1.3900 . ?
C117 H117 0.9300 . ?
C118 C119 1.3900 . ?
C118 H118 0.9300 . ?
C119 H119 0.9300 . ?
C120 C121 1.3900 . ?
C120 C125 1.3900 . ?
C121 C122 1.3900 . ?
C121 H121 0.9300 . ?
C122 C123 1.3900 . ?
C122 H122 0.9300 . ?
C123 O104 1.370(9) . ?
C123 C124 1.3900 . ?
C124 C125 1.3900 . ?
C124 H124 0.9300 . ?
C125 H125 0.9300 . ?
O104 C126 1.407(17) . ?
C126 H12A 0.9600 . ?
C126 H12B 0.9600 . ?
C126 H12C 0.9600 . ?
C127 C128 1.3900 . ?
C127 C132 1.3900 . ?
C128 C129 1.3900 . ?
C128 H128 0.9300 . ?
C129 C130 1.3900 . ?
C129 H129 0.9300 . ?
C130 O105 1.368(10) . ?
C130 C131 1.3900 . ?
C131 C132 1.3900 . ?
C131 H131 0.9300 . ?
C132 H132 0.9300 . ?
O105 C133 1.386(19) . ?
C133 H13A 0.9600 . ?
C133 H13B 0.9600 . ?
C133 H13C 0.9600 . ?
C134 N102 1.355(12) . ?
C134 N101 1.362(13) . ?
N101 C135 1.369(13) . ?
N101 C137 1.412(10) . ?
N102 C136 1.370(13) . ?
N102 C149 1.418(9) . ?
C135 C136 1.332(14) . ?
C135 H135 0.9300 . ?
C136 H136 0.9300 . ?
C137 C138 1.3900 . ?
C137 C142 1.3900 . ?
C138 C139 1.3900 . ?
C138 C143 1.481(13) . ?
C139 C140 1.3900 . ?
C139 H139 0.9300 . ?
C140 C141 1.3900 . ?
C140 H140 0.9300 . ?
C141 C142 1.3900 . ?
C141 H141 0.9300 . ?
C142 C146 1.529(13) . ?
C143 C144 1.477(15) . ?
C143 C145 1.543(15) . ?
C143 H143 0.9800 . ?
C144 H14A 0.9600 . ?
C144 H14B 0.9600 . ?
C144 H14C 0.9600 . ?
C145 H14D 0.9600 . ?
C145 H14E 0.9600 . ?
C145 H14F 0.9600 . ?
C146 C147 1.510(16) . ?
C146 C148 1.525(15) . ?
C146 H146 0.9800 . ?
C147 H14G 0.9600 . ?
C147 H14H 0.9600 . ?
C147 H14I 0.9600 . ?
C148 H14J 0.9600 . ?
C148 H14K 0.9600 . ?
C148 H14L 0.9600 . ?
C149 C150 1.3900 . ?
C149 C154 1.3900 . ?
C150 C151 1.3900 . ?
C150 C155 1.529(11) . ?
C151 C152 1.3900 . ?
C151 H151 0.9300 . ?
C152 C153 1.3900 . ?
C152 H152 0.9300 . ?
C153 C154 1.3900 . ?
C153 H153 0.9300 . ?
C154 C158 1.512(12) . ?
C155 C156 1.525(13) . ?
C155 C157 1.546(14) . ?
C155 H155 0.9800 . ?
C156 H15A 0.9600 . ?
C156 H15B 0.9600 . ?
C156 H15C 0.9600 . ?
C157 H15D 0.9600 . ?
C157 H15E 0.9600 . ?
C157 H15F 0.9600 . ?
C158 C159 1.516(15) . ?
C158 C160 1.527(14) . ?
C158 H158 0.9800 . ?
C159 H15G 0.9600 . ?
C159 H15H 0.9600 . ?
C159 H15I 0.9600 . ?
C160 H16A 0.9600 . ?
C160 H16B 0.9600 . ?
C160 H16C 0.9600 . ?
C501 C502 1.526(14) . ?
C501 H50A 0.9600 . ?
C501 H50B 0.9600 . ?
C501 H50C 0.9600 . ?
C502 C503 1.526(14) . ?
C502 H50D 0.9700 . ?
C502 H50E 0.9700 . ?
C503 C504 1.542(14) . ?
C503 H50F 0.9700 . ?
C503 H50G 0.9700 . ?
C504 C505 1.546(14) . ?
C504 H50H 0.9700 . ?
C504 H50I 0.9700 . ?
C505 H50J 0.9600 . ?
C505 H50K 0.9600 . ?
C505 H50L 0.9600 . ?
C601 C602 1.550(14) . ?
C601 H60D 0.9600 . ?
C601 H60E 0.9600 . ?
C601 H60F 0.9600 . ?
C602 C603 1.546(14) . ?
C602 H60G 0.9700 . ?
C602 H60H 0.9700 . ?
C603 C604 1.541(14) . ?
C603 H60I 0.9700 . ?
C603 H60J 0.9700 . ?
C604 C605 1.550(14) . ?
C604 H60K 0.9700 . ?
C604 H60L 0.9700 . ?
C605 H60M 0.9600 . ?
C605 H60N 0.9600 . ?
C605 H60O 0.9600 . ?

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
C1 Ru1 C2 90.7(7) . . ?
C1 Ru1 C5 101.8(5) . . ?
C2 Ru1 C5 120.9(5) . . ?
C1 Ru1 C6 134.4(5) . . ?
C2 Ru1 C6 95.3(5) . . ?
C5 Ru1 C6 38.4(4) . . ?
C1 Ru1 C7 161.8(5) . . ?
C2 Ru1 C7 105.4(5) . . ?
C5 Ru1 C7 62.8(4) . . ?
C6 Ru1 C7 37.4(4) . . ?
C1 Ru1 C4 99.6(5) . . ?
C2 Ru1 C4 157.8(5) . . ?
C5 Ru1 C4 37.8(4) . . ?
C6 Ru1 C4 63.5(4) . . ?
C7 Ru1 C4 62.5(4) . . ?
C1 Ru1 C3 128.7(6) . . ?
C2 Ru1 C3 140.5(5) . . ?
C5 Ru1 C3 60.9(4) . . ?
C6 Ru1 C3 61.4(4) . . ?
C7 Ru1 C3 36.8(4) . . ?
C4 Ru1 C3 36.0(4) . . ?
C1 Ru1 Cl1 92.7(5) . . ?
C2 Ru1 Cl1 95.6(4) . . ?
C5 Ru1 Cl1 140.2(3) . . ?
C6 Ru1 Cl1 131.4(3) . . ?
C7 Ru1 Cl1 94.2(3) . . ?
C4 Ru1 Cl1 103.5(3) . . ?
C3 Ru1 Cl1 81.0(2) . . ?
C34 Cu1 O3 150.8(4) . . ?
C34 Cu1 Cl1 118.3(4) . . ?
O3 Cu1 Cl1 90.5(2) . . ?
Ru1 Cl1 Cu1 110.07(11) . . ?
O1 C1 Ru1 178.0(17) . . ?
O2 C2 Ru1 174.1(11) . . ?
O3 C3 C4 125.4(10) . . ?
O3 C3 C7 127.3(9) . . ?
C4 C3 C7 107.1(9) . . ?
O3 C3 Ru1 128.1(7) . . ?
C4 C3 Ru1 67.1(6) . . ?
C7 C3 Ru1 66.7(6) . . ?
C3 C4 C5 107.9(9) . . ?
C3 C4 C8 123.4(10) . . ?
C5 C4 C8 127.0(8) . . ?
C3 C4 Ru1 76.9(6) . . ?
C5 C4 Ru1 68.9(6) . . ?
C8 C4 Ru1 131.6(7) . . ?
C4 C5 C6 108.6(8) . . ?
C4 C5 C27 125.6(9) . . ?
C6 C5 C27 125.5(9) . . ?
C4 C5 Ru1 73.3(6) . . ?
C6 C5 Ru1 71.1(5) . . ?
C27 C5 Ru1 126.8(6) . . ?
C7 C6 C5 107.4(9) . . ?
C7 C6 C20 126.7(9) . . ?
C5 C6 C20 125.4(9) . . ?
C7 C6 Ru1 73.0(6) . . ?
C5 C6 Ru1 70.5(5) . . ?
C20 C6 Ru1 127.4(7) . . ?
C6 C7 C3 108.4(9) . . ?
C6 C7 C14 127.7(9) . . ?
C3 C7 C14 123.9(8) . . ?
C6 C7 Ru1 69.6(5) . . ?
C3 C7 Ru1 76.5(6) . . ?
C14 C7 Ru1 121.2(6) . . ?
C3 O3 Cu1 129.3(7) . . ?
C9 C8 C13 120.0 . . ?
C9 C8 C4 119.3(6) . . ?
C13 C8 C4 120.6(6) . . ?
C8 C9 C10 120.0 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C9 C10 C11 120.0 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C13 C12 C11 120.0 . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C8 120.0 . . ?
C12 C13 H13 120.0 . . ?
C8 C13 H13 120.0 . . ?
C15 C14 C19 120.0 . . ?
C15 C14 C7 118.1(6) . . ?
C19 C14 C7 121.8(6) . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C17 C16 C15 120.0 . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C17 C18 120.0 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C19 C18 C17 120.0 . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C14 120.0 . . ?
C18 C19 H19 120.0 . . ?
C14 C19 H19 120.0 . . ?
C21 C20 C25 120.0 . . ?
C21 C20 C6 117.4(6) . . ?
C25 C20 C6 122.6(6) . . ?
C20 C21 C22 120.0 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C21 C22 C23 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
O4 C23 C22 115.7(7) . . ?
O4 C23 C24 124.3(7) . . ?
C22 C23 C24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C24 C25 C20 120.0 . . ?
C24 C25 H25 120.0 . . ?
C20 C25 H25 120.0 . . ?
C23 O4 C26 120.2(11) . . ?
O4 C26 H26A 109.5 . . ?
O4 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O4 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C32 120.0 . . ?
C28 C27 C5 120.1(5) . . ?
C32 C27 C5 119.9(5) . . ?
C29 C28 C27 120.0 . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 C30 120.0 . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
O5 C30 C31 115.9(6) . . ?
O5 C30 C29 124.0(6) . . ?
C31 C30 C29 120.0 . . ?
C30 C31 C32 120.0 . . ?
C30 C31 H31 120.0 . . ?
C32 C31 H31 120.0 . . ?
C31 C32 C27 120.0 . . ?
C31 C32 H32 120.0 . . ?
C27 C32 H32 120.0 . . ?
C33 O5 C30 119.8(9) . . ?
O5 C33 H33A 109.5 . . ?
O5 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
O5 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N1 C34 N2 102.9(10) . . ?
N1 C34 Cu1 131.8(8) . . ?
N2 C34 Cu1 125.3(9) . . ?
C34 N1 C35 111.3(9) . . ?
C34 N1 C37 126.5(8) . . ?
C35 N1 C37 122.2(8) . . ?
C34 N2 C36 111.4(11) . . ?
C34 N2 C49 123.8(11) . . ?
C36 N2 C49 124.8(11) . . ?
C36 C35 N1 107.6(10) . . ?
C36 C35 H35 126.2 . . ?
N1 C35 H35 126.2 . . ?
C35 C36 N2 106.9(10) . . ?
C35 C36 H36 126.5 . . ?
N2 C36 H36 126.5 . . ?
C38 C37 C42 120.0 . . ?
C38 C37 N1 120.9(6) . . ?
C42 C37 N1 119.0(6) . . ?
C39 C38 C37 120.0 . . ?
C39 C38 C43 119.3(7) . . ?
C37 C38 C43 120.7(7) . . ?
C38 C39 C40 120.0 . . ?
C38 C39 H39 120.0 . . ?
C40 C39 H39 120.0 . . ?
C41 C40 C39 120.0 . . ?
C41 C40 H40 120.0 . . ?
C39 C40 H40 120.0 . . ?
C40 C41 C42 120.0 . . ?
C40 C41 H41 120.0 . . ?
C42 C41 H41 120.0 . . ?
C41 C42 C37 120.0 . . ?
C41 C42 C46 118.3(7) . . ?
C37 C42 C46 121.7(7) . . ?
C38 C43 C44 113.0(11) . . ?
C38 C43 C45 112.0(11) . . ?
C44 C43 C45 107.8(11) . . ?
C38 C43 H43 108.0 . . ?
C44 C43 H43 108.0 . . ?
C45 C43 H43 108.0 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C42 C46 C48 109.9(10) . . ?
C42 C46 C47 114.2(11) . . ?
C48 C46 C47 110.2(11) . . ?
C42 C46 H46 107.4 . . ?
C48 C46 H46 107.4 . . ?
C47 C46 H46 107.4 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C50 C49 C54 120.0 . . ?
C50 C49 N2 123.3(11) . . ?
C54 C49 N2 116.5(11) . . ?
C49 C50 C51 120.0 . . ?
C49 C50 C55 122.9(12) . . ?
C51 C50 C55 117.0(12) . . ?
C50 C51 C52 120.0 . . ?
C50 C51 H51 120.0 . . ?
C52 C51 H51 120.0 . . ?
C51 C52 C53 120.0 . . ?
C51 C52 H52 120.0 . . ?
C53 C52 H52 120.0 . . ?
C54 C53 C52 120.0 . . ?
C54 C53 H53 120.0 . . ?
C52 C53 H53 120.0 . . ?
C53 C54 C49 120.0 . . ?
C53 C54 C58 119.1(12) . . ?
C49 C54 C58 120.7(12) . . ?
C50 C55 C57 107.3(15) . . ?
C50 C55 C56 117.1(16) . . ?
C57 C55 C56 110.9(17) . . ?
C50 C55 H55 107.0 . . ?
C57 C55 H55 107.0 . . ?
C56 C55 H55 107.0 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C54 C58 C60 118.0(17) . . ?
C54 C58 C59 111.8(17) . . ?
C60 C58 C59 110.5(19) . . ?
C54 C58 H58 105.1 . . ?
C60 C58 H58 105.1 . . ?
C59 C58 H58 105.1 . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C102 Ru2 C101 90.1(6) . . ?
C102 Ru2 C106 94.9(5) . . ?
C101 Ru2 C106 134.0(5) . . ?
C102 Ru2 C105 119.7(5) . . ?
C101 Ru2 C105 101.7(5) . . ?
C106 Ru2 C105 38.2(4) . . ?
C102 Ru2 C107 104.4(5) . . ?
C101 Ru2 C107 162.9(5) . . ?
C106 Ru2 C107 37.1(4) . . ?
C105 Ru2 C107 63.3(3) . . ?
C102 Ru2 C104 157.3(5) . . ?
C101 Ru2 C104 99.9(5) . . ?
C106 Ru2 C104 63.5(4) . . ?
C105 Ru2 C104 38.4(4) . . ?
C107 Ru2 C104 63.4(4) . . ?
C102 Ru2 C103 140.5(5) . . ?
C101 Ru2 C103 129.3(6) . . ?
C106 Ru2 C103 61.7(4) . . ?
C105 Ru2 C103 61.8(4) . . ?
C107 Ru2 C103 37.8(4) . . ?
C104 Ru2 C103 36.3(3) . . ?
C102 Ru2 Cl2 95.7(4) . . ?
C101 Ru2 Cl2 92.7(5) . . ?
C106 Ru2 Cl2 131.9(3) . . ?
C105 Ru2 Cl2 141.3(3) . . ?
C107 Ru2 Cl2 94.9(3) . . ?
C104 Ru2 Cl2 104.1(3) . . ?
C103 Ru2 Cl2 81.2(2) . . ?
C134 Cu2 O103 147.8(4) . . ?
C134 Cu2 Cl2 122.1(3) . . ?
O103 Cu2 Cl2 89.6(2) . . ?
Ru2 Cl2 Cu2 109.72(11) . . ?
O101 C101 Ru2 178.2(16) . . ?
O102 C102 Ru2 173.1(11) . . ?
O103 C103 C104 126.4(9) . . ?
O103 C103 C107 128.0(9) . . ?
C104 C103 C107 105.4(8) . . ?
O103 C103 Ru2 127.7(7) . . ?
C104 C103 Ru2 66.6(6) . . ?
C107 C103 Ru2 65.2(5) . . ?
C103 C104 C105 108.6(9) . . ?
C103 C104 C108 123.4(9) . . ?
C105 C104 C108 126.7(8) . . ?
C103 C104 Ru2 77.1(6) . . ?
C105 C104 Ru2 69.8(6) . . ?
C108 C104 Ru2 129.4(7) . . ?
C106 C105 C104 107.3(8) . . ?
C106 C105 C120 125.7(9) . . ?
C104 C105 C120 126.4(9) . . ?
C106 C105 Ru2 70.9(5) . . ?
C104 C105 Ru2 71.8(6) . . ?
C120 C105 Ru2 130.0(7) . . ?
C107 C106 C105 109.0(9) . . ?
C107 C106 C127 125.6(9) . . ?
C105 C106 C127 125.3(9) . . ?
C107 C106 Ru2 71.5(6) . . ?
C105 C106 Ru2 70.9(5) . . ?
C127 C106 Ru2 126.2(6) . . ?
C106 C107 C114 129.7(9) . . ?
C106 C107 C103 108.7(8) . . ?
C114 C107 C103 120.3(8) . . ?
C106 C107 Ru2 71.4(5) . . ?
C114 C107 Ru2 128.3(6) . . ?
C103 C107 Ru2 77.1(5) . . ?
C103 O103 Cu2 130.0(6) . . ?
C109 C108 C113 120.0 . . ?
C109 C108 C104 121.0(6) . . ?
C113 C108 C104 118.9(6) . . ?
C108 C109 C110 120.0 . . ?
C108 C109 H109 120.0 . . ?
C110 C109 H109 120.0 . . ?
C111 C110 C109 120.0 . . ?
C111 C110 H110 120.0 . . ?
C109 C110 H110 120.0 . . ?
C110 C111 C112 120.0 . . ?
C110 C111 H111 120.0 . . ?
C112 C111 H111 120.0 . . ?
C113 C112 C111 120.0 . . ?
C113 C112 H112 120.0 . . ?
C111 C112 H112 120.0 . . ?
C112 C113 C108 120.0 . . ?
C112 C113 H113 120.0 . . ?
C108 C113 H113 120.0 . . ?
C115 C114 C119 120.0 . . ?
C115 C114 C107 120.6(5) . . ?
C119 C114 C107 119.4(5) . . ?
C116 C115 C114 120.0 . . ?
C116 C115 H115 120.0 . . ?
C114 C115 H115 120.0 . . ?
C117 C116 C115 120.0 . . ?
C117 C116 H116 120.0 . . ?
C115 C116 H116 120.0 . . ?
C116 C117 C118 120.0 . . ?
C116 C117 H117 120.0 . . ?
C118 C117 H117 120.0 . . ?
C119 C118 C117 120.0 . . ?
C119 C118 H118 120.0 . . ?
C117 C118 H118 120.0 . . ?
C118 C119 C114 120.0 . . ?
C118 C119 H119 120.0 . . ?
C114 C119 H119 120.0 . . ?
C121 C120 C125 120.0 . . ?
C121 C120 C105 117.9(5) . . ?
C125 C120 C105 122.1(5) . . ?
C120 C121 C122 120.0 . . ?
C120 C121 H121 120.0 . . ?
C122 C121 H121 120.0 . . ?
C121 C122 C123 120.0 . . ?
C121 C122 H122 120.0 . . ?
C123 C122 H122 120.0 . . ?
O104 C123 C122 124.8(6) . . ?
O104 C123 C124 115.2(6) . . ?
C122 C123 C124 120.0 . . ?
C125 C124 C123 120.0 . . ?
C125 C124 H124 120.0 . . ?
C123 C124 H124 120.0 . . ?
C124 C125 C120 120.0 . . ?
C124 C125 H125 120.0 . . ?
C120 C125 H125 120.0 . . ?
C123 O104 C126 117.2(9) . . ?
O104 C126 H12A 109.5 . . ?
O104 C126 H12B 109.5 . . ?
H12A C126 H12B 109.5 . . ?
O104 C126 H12C 109.5 . . ?
H12A C126 H12C 109.5 . . ?
H12B C126 H12C 109.5 . . ?
C128 C127 C132 120.0 . . ?
C128 C127 C106 122.1(6) . . ?
C132 C127 C106 117.9(6) . . ?
C127 C128 C129 120.0 . . ?
C127 C128 H128 120.0 . . ?
C129 C128 H128 120.0 . . ?
C130 C129 C128 120.0 . . ?
C130 C129 H129 120.0 . . ?
C128 C129 H129 120.0 . . ?
O105 C130 C131 115.2(7) . . ?
O105 C130 C129 124.7(7) . . ?
C131 C130 C129 120.0 . . ?
C132 C131 C130 120.0 . . ?
C132 C131 H131 120.0 . . ?
C130 C131 H131 120.0 . . ?
C131 C132 C127 120.0 . . ?
C131 C132 H132 120.0 . . ?
C127 C132 H132 120.0 . . ?
C130 O105 C133 117.4(11) . . ?
O105 C133 H13A 109.5 . . ?
O105 C133 H13B 109.5 . . ?
H13A C133 H13B 109.5 . . ?
O105 C133 H13C 109.5 . . ?
H13A C133 H13C 109.5 . . ?
H13B C133 H13C 109.5 . . ?
N102 C134 N101 102.3(9) . . ?
N102 C134 Cu2 132.6(8) . . ?
N101 C134 Cu2 125.0(7) . . ?
C134 N101 C135 112.1(8) . . ?
C134 N101 C137 124.5(9) . . ?
C135 N101 C137 123.3(9) . . ?
C134 N102 C136 112.3(9) . . ?
C134 N102 C149 124.5(8) . . ?
C136 N102 C149 123.1(8) . . ?
C136 C135 N101 106.7(9) . . ?
C136 C135 H135 126.6 . . ?
N101 C135 H135 126.6 . . ?
C135 C136 N102 106.5(9) . . ?
C135 C136 H136 126.7 . . ?
N102 C136 H136 126.7 . . ?
C138 C137 C142 120.0 . . ?
C138 C137 N101 119.4(6) . . ?
C142 C137 N101 120.5(6) . . ?
C137 C138 C139 120.0 . . ?
C137 C138 C143 120.7(7) . . ?
C139 C138 C143 119.3(7) . . ?
C138 C139 C140 120.0 . . ?
C138 C139 H139 120.0 . . ?
C140 C139 H139 120.0 . . ?
C141 C140 C139 120.0 . . ?
C141 C140 H140 120.0 . . ?
C139 C140 H140 120.0 . . ?
C142 C141 C140 120.0 . . ?
C142 C141 H141 120.0 . . ?
C140 C141 H141 120.0 . . ?
C141 C142 C137 120.0 . . ?
C141 C142 C146 119.6(7) . . ?
C137 C142 C146 120.4(7) . . ?
C144 C143 C138 113.2(12) . . ?
C144 C143 C145 107.1(13) . . ?
C138 C143 C145 112.3(13) . . ?
C144 C143 H143 108.0 . . ?
C138 C143 H143 108.0 . . ?
C145 C143 H143 108.0 . . ?
C143 C144 H14A 109.5 . . ?
C143 C144 H14B 109.5 . . ?
H14A C144 H14B 109.5 . . ?
C143 C144 H14C 109.5 . . ?
H14A C144 H14C 109.5 . . ?
H14B C144 H14C 109.5 . . ?
C143 C145 H14D 109.5 . . ?
C143 C145 H14E 109.5 . . ?
H14D C145 H14E 109.5 . . ?
C143 C145 H14F 109.5 . . ?
H14D C145 H14F 109.5 . . ?
H14E C145 H14F 109.5 . . ?
C147 C146 C148 109.0(13) . . ?
C147 C146 C142 111.2(12) . . ?
C148 C146 C142 109.8(12) . . ?
C147 C146 H146 108.9 . . ?
C148 C146 H146 108.9 . . ?
C142 C146 H146 108.9 . . ?
C146 C147 H14G 109.5 . . ?
C146 C147 H14H 109.5 . . ?
H14G C147 H14H 109.5 . . ?
C146 C147 H14I 109.5 . . ?
H14G C147 H14I 109.5 . . ?
H14H C147 H14I 109.5 . . ?
C146 C148 H14J 109.5 . . ?
C146 C148 H14K 109.5 . . ?
H14J C148 H14K 109.5 . . ?
C146 C148 H14L 109.5 . . ?
H14J C148 H14L 109.5 . . ?
H14K C148 H14L 109.5 . . ?
C150 C149 C154 120.0 . . ?
C150 C149 N102 119.7(6) . . ?
C154 C149 N102 120.3(6) . . ?
C151 C150 C149 120.0 . . ?
C151 C150 C155 119.4(6) . . ?
C149 C150 C155 120.6(6) . . ?
C150 C151 C152 120.0 . . ?
C150 C151 H151 120.0 . . ?
C152 C151 H151 120.0 . . ?
C151 C152 C153 120.0 . . ?
C151 C152 H152 120.0 . . ?
C153 C152 H152 120.0 . . ?
C154 C153 C152 120.0 . . ?
C154 C153 H153 120.0 . . ?
C152 C153 H153 120.0 . . ?
C153 C154 C149 120.0 . . ?
C153 C154 C158 118.9(7) . . ?
C149 C154 C158 121.1(7) . . ?
C156 C155 C150 113.8(10) . . ?
C156 C155 C157 108.9(11) . . ?
C150 C155 C157 110.2(9) . . ?
C156 C155 H155 107.9 . . ?
C150 C155 H155 107.9 . . ?
C157 C155 H155 107.9 . . ?
C155 C156 H15A 109.5 . . ?
C155 C156 H15B 109.5 . . ?
H15A C156 H15B 109.5 . . ?
C155 C156 H15C 109.5 . . ?
H15A C156 H15C 109.5 . . ?
H15B C156 H15C 109.5 . . ?
C155 C157 H15D 109.5 . . ?
C155 C157 H15E 109.5 . . ?
H15D C157 H15E 109.5 . . ?
C155 C157 H15F 109.5 . . ?
H15D C157 H15F 109.5 . . ?
H15E C157 H15F 109.5 . . ?
C154 C158 C159 110.9(11) . . ?
C154 C158 C160 114.1(11) . . ?
C159 C158 C160 111.9(12) . . ?
C154 C158 H158 106.5 . . ?
C159 C158 H158 106.5 . . ?
C160 C158 H158 106.5 . . ?
C158 C159 H15G 109.5 . . ?
C158 C159 H15H 109.5 . . ?
H15G C159 H15H 109.5 . . ?
C158 C159 H15I 109.5 . . ?
H15G C159 H15I 109.5 . . ?
H15H C159 H15I 109.5 . . ?
C158 C160 H16A 109.5 . . ?
C158 C160 H16B 109.5 . . ?
H16A C160 H16B 109.5 . . ?
C158 C160 H16C 109.5 . . ?
H16A C160 H16C 109.5 . . ?
H16B C160 H16C 109.5 . . ?
C502 C501 H50A 109.5 . . ?
C502 C501 H50B 109.5 . . ?
H50A C501 H50B 109.5 . . ?
C502 C501 H50C 109.5 . . ?
H50A C501 H50C 109.5 . . ?
H50B C501 H50C 109.5 . . ?
C503 C502 C501 122(3) . . ?
C503 C502 H50D 106.9 . . ?
C501 C502 H50D 106.9 . . ?
C503 C502 H50E 106.9 . . ?
C501 C502 H50E 106.9 . . ?
H50D C502 H50E 106.7 . . ?
C502 C503 C504 109(3) . . ?
C502 C503 H50F 110.0 . . ?
C504 C503 H50F 110.0 . . ?
C502 C503 H50G 110.0 . . ?
C504 C503 H50G 110.0 . . ?
H50F C503 H50G 108.4 . . ?
C503 C504 C505 117(2) . . ?
C503 C504 H50H 108.1 . . ?
C505 C504 H50H 108.1 . . ?
C503 C504 H50I 108.1 . . ?
C505 C504 H50I 108.1 . . ?
H50H C504 H50I 107.3 . . ?
C504 C505 H50J 109.5 . . ?
C504 C505 H50K 109.5 . . ?
H50J C505 H50K 109.5 . . ?
C504 C505 H50L 109.5 . . ?
H50J C505 H50L 109.5 . . ?
H50K C505 H50L 109.5 . . ?
C602 C601 H60D 109.5 . . ?
C602 C601 H60E 109.5 . . ?
H60D C601 H60E 109.5 . . ?
C602 C601 H60F 109.5 . . ?
H60D C601 H60F 109.5 . . ?
H60E C601 H60F 109.5 . . ?
C603 C602 C601 123(2) . . ?
C603 C602 H60G 106.6 . . ?
C601 C602 H60G 106.6 . . ?
C603 C602 H60H 106.6 . . ?
C601 C602 H60H 106.6 . . ?
H60G C602 H60H 106.6 . . ?
C604 C603 C602 106(3) . . ?
C604 C603 H60I 110.6 . . ?
C602 C603 H60I 110.6 . . ?
C604 C603 H60J 110.6 . . ?
C602 C603 H60J 110.6 . . ?
H60I C603 H60J 108.7 . . ?
C603 C604 C605 136(3) . . ?
C603 C604 H60K 103.2 . . ?
C605 C604 H60K 103.2 . . ?
C603 C604 H60L 103.2 . . ?
C605 C604 H60L 103.2 . . ?
H60K C604 H60L 105.1 . . ?
C604 C605 H60M 109.5 . . ?
C604 C605 H60N 109.5 . . ?
H60M C605 H60N 109.5 . . ?
C604 C605 H60O 109.5 . . ?
H60M C605 H60O 109.5 . . ?
H60N C605 H60O 109.5 . . ?

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
C1 Ru1 Cl1 Cu1 124.0(5) . . . . ?
C2 Ru1 Cl1 Cu1 -145.1(4) . . . . ?
C5 Ru1 Cl1 Cu1 12.0(5) . . . . ?
C6 Ru1 Cl1 Cu1 -43.0(4) . . . . ?
C7 Ru1 Cl1 Cu1 -39.2(3) . . . . ?
C4 Ru1 Cl1 Cu1 23.4(3) . . . . ?
C3 Ru1 Cl1 Cu1 -4.8(3) . . . . ?
C34 Cu1 Cl1 Ru1 -172.9(4) . . . . ?
O3 Cu1 Cl1 Ru1 2.1(2) . . . . ?
C2 Ru1 C1 O1 171(100) . . . . ?
C5 Ru1 C1 O1 49(51) . . . . ?
C6 Ru1 C1 O1 73(51) . . . . ?
C7 Ru1 C1 O1 19(52) . . . . ?
C4 Ru1 C1 O1 11(51) . . . . ?
C3 Ru1 C1 O1 -13(51) . . . . ?
Cl1 Ru1 C1 O1 -93(51) . . . . ?
C1 Ru1 C2 O2 -75(12) . . . . ?
C5 Ru1 C2 O2 29(13) . . . . ?
C6 Ru1 C2 O2 59(12) . . . . ?
C7 Ru1 C2 O2 96(12) . . . . ?
C4 Ru1 C2 O2 42(13) . . . . ?
C3 Ru1 C2 O2 109(12) . . . . ?
Cl1 Ru1 C2 O2 -168(12) . . . . ?
C1 Ru1 C3 O3 -75.7(11) . . . . ?
C2 Ru1 C3 O3 98.3(11) . . . . ?
C5 Ru1 C3 O3 -157.3(11) . . . . ?
C6 Ru1 C3 O3 158.6(11) . . . . ?
C7 Ru1 C3 O3 120.1(12) . . . . ?
C4 Ru1 C3 O3 -118.0(12) . . . . ?
Cl1 Ru1 C3 O3 10.5(9) . . . . ?
C1 Ru1 C3 C4 42.3(9) . . . . ?
C2 Ru1 C3 C4 -143.7(8) . . . . ?
C5 Ru1 C3 C4 -39.4(6) . . . . ?
C6 Ru1 C3 C4 -83.5(7) . . . . ?
C7 Ru1 C3 C4 -122.0(9) . . . . ?
Cl1 Ru1 C3 C4 128.5(6) . . . . ?
C1 Ru1 C3 C7 164.2(7) . . . . ?
C2 Ru1 C3 C7 -21.8(9) . . . . ?
C5 Ru1 C3 C7 82.6(6) . . . . ?
C6 Ru1 C3 C7 38.5(6) . . . . ?
C4 Ru1 C3 C7 122.0(9) . . . . ?
Cl1 Ru1 C3 C7 -109.6(5) . . . . ?
O3 C3 C4 C5 -176.1(9) . . . . ?
C7 C3 C4 C5 7.8(11) . . . . ?
Ru1 C3 C4 C5 62.4(7) . . . . ?
O3 C3 C4 C8 -10.1(16) . . . . ?
C7 C3 C4 C8 173.8(8) . . . . ?
Ru1 C3 C4 C8 -131.6(9) . . . . ?
O3 C3 C4 Ru1 121.5(10) . . . . ?
C7 C3 C4 Ru1 -54.6(7) . . . . ?
C1 Ru1 C4 C3 -147.8(8) . . . . ?
C2 Ru1 C4 C3 95.8(13) . . . . ?
C5 Ru1 C4 C3 115.3(9) . . . . ?
C6 Ru1 C4 C3 77.1(6) . . . . ?
C7 Ru1 C4 C3 34.9(6) . . . . ?
Cl1 Ru1 C4 C3 -52.7(6) . . . . ?
C1 Ru1 C4 C5 96.9(7) . . . . ?
C2 Ru1 C4 C5 -19.4(15) . . . . ?
C6 Ru1 C4 C5 -38.2(6) . . . . ?
C7 Ru1 C4 C5 -80.3(6) . . . . ?
C3 Ru1 C4 C5 -115.3(9) . . . . ?
Cl1 Ru1 C4 C5 -168.0(5) . . . . ?
C1 Ru1 C4 C8 -24.5(10) . . . . ?
C2 Ru1 C4 C8 -140.8(12) . . . . ?
C5 Ru1 C4 C8 -121.4(11) . . . . ?
C6 Ru1 C4 C8 -159.6(10) . . . . ?
C7 Ru1 C4 C8 158.3(10) . . . . ?
C3 Ru1 C4 C8 123.4(12) . . . . ?
Cl1 Ru1 C4 C8 70.6(9) . . . . ?
C3 C4 C5 C6 -4.9(11) . . . . ?
C8 C4 C5 C6 -170.3(9) . . . . ?
Ru1 C4 C5 C6 62.8(7) . . . . ?
C3 C4 C5 C27 168.6(9) . . . . ?
C8 C4 C5 C27 3.3(16) . . . . ?
Ru1 C4 C5 C27 -123.7(9) . . . . ?
C3 C4 C5 Ru1 -67.7(7) . . . . ?
C8 C4 C5 Ru1 126.9(10) . . . . ?
C1 Ru1 C5 C4 -90.5(8) . . . . ?
C2 Ru1 C5 C4 171.6(7) . . . . ?
C6 Ru1 C5 C4 117.0(8) . . . . ?
C7 Ru1 C5 C4 79.3(6) . . . . ?
C3 Ru1 C5 C4 37.4(6) . . . . ?
Cl1 Ru1 C5 C4 18.4(8) . . . . ?
C1 Ru1 C5 C6 152.5(8) . . . . ?
C2 Ru1 C5 C6 54.6(8) . . . . ?
C7 Ru1 C5 C6 -37.8(6) . . . . ?
C4 Ru1 C5 C6 -117.0(8) . . . . ?
C3 Ru1 C5 C6 -79.6(6) . . . . ?
Cl1 Ru1 C5 C6 -98.6(6) . . . . ?
C1 Ru1 C5 C27 31.8(10) . . . . ?
C2 Ru1 C5 C27 -66.2(10) . . . . ?
C6 Ru1 C5 C27 -120.7(11) . . . . ?
C7 Ru1 C5 C27 -158.5(10) . . . . ?
C4 Ru1 C5 C27 122.3(11) . . . . ?
C3 Ru1 C5 C27 159.7(10) . . . . ?
Cl1 Ru1 C5 C27 140.7(6) . . . . ?
C4 C5 C6 C7 -0.1(11) . . . . ?
C27 C5 C6 C7 -173.6(9) . . . . ?
Ru1 C5 C6 C7 64.1(7) . . . . ?
C4 C5 C6 C20 173.2(9) . . . . ?
C27 C5 C6 C20 -0.3(16) . . . . ?
Ru1 C5 C6 C20 -122.6(9) . . . . ?
C4 C5 C6 Ru1 -64.2(7) . . . . ?
C27 C5 C6 Ru1 122.3(10) . . . . ?
C1 Ru1 C6 C7 -155.4(9) . . . . ?
C2 Ru1 C6 C7 108.5(7) . . . . ?
C5 Ru1 C6 C7 -116.2(9) . . . . ?
C4 Ru1 C6 C7 -78.6(6) . . . . ?
C3 Ru1 C6 C7 -37.9(6) . . . . ?
Cl1 Ru1 C6 C7 6.2(8) . . . . ?
C1 Ru1 C6 C5 -39.2(11) . . . . ?
C2 Ru1 C6 C5 -135.4(7) . . . . ?
C7 Ru1 C6 C5 116.2(9) . . . . ?
C4 Ru1 C6 C5 37.6(6) . . . . ?
C3 Ru1 C6 C5 78.3(6) . . . . ?
Cl1 Ru1 C6 C5 122.4(6) . . . . ?
C1 Ru1 C6 C20 81.0(12) . . . . ?
C2 Ru1 C6 C20 -15.2(9) . . . . ?
C5 Ru1 C6 C20 120.2(11) . . . . ?
C7 Ru1 C6 C20 -123.6(11) . . . . ?
C4 Ru1 C6 C20 157.8(9) . . . . ?
C3 Ru1 C6 C20 -161.5(9) . . . . ?
Cl1 Ru1 C6 C20 -117.4(7) . . . . ?
C5 C6 C7 C3 4.9(11) . . . . ?
C20 C6 C7 C3 -168.2(9) . . . . ?
Ru1 C6 C7 C3 67.3(7) . . . . ?
C5 C6 C7 C14 -176.7(9) . . . . ?
C20 C6 C7 C14 10.1(16) . . . . ?
Ru1 C6 C7 C14 -114.3(10) . . . . ?
C5 C6 C7 Ru1 -62.4(7) . . . . ?
C20 C6 C7 Ru1 124.4(10) . . . . ?
O3 C3 C7 C6 176.1(10) . . . . ?
C4 C3 C7 C6 -7.9(11) . . . . ?
Ru1 C3 C7 C6 -62.8(7) . . . . ?
O3 C3 C7 C14 -2.4(16) . . . . ?
C4 C3 C7 C14 173.6(8) . . . . ?
Ru1 C3 C7 C14 118.7(9) . . . . ?
O3 C3 C7 Ru1 -121.1(10) . . . . ?
C4 C3 C7 Ru1 54.9(7) . . . . ?
C1 Ru1 C7 C6 73(2) . . . . ?
C2 Ru1 C7 C6 -78.4(7) . . . . ?
C5 Ru1 C7 C6 38.8(6) . . . . ?
C4 Ru1 C7 C6 81.6(6) . . . . ?
C3 Ru1 C7 C6 115.8(8) . . . . ?
Cl1 Ru1 C7 C6 -175.3(6) . . . . ?
C1 Ru1 C7 C3 -43(2) . . . . ?
C2 Ru1 C7 C3 165.9(6) . . . . ?
C5 Ru1 C7 C3 -77.0(6) . . . . ?
C6 Ru1 C7 C3 -115.8(8) . . . . ?
C4 Ru1 C7 C3 -34.2(6) . . . . ?
Cl1 Ru1 C7 C3 68.9(5) . . . . ?
C1 Ru1 C7 C14 -164.7(18) . . . . ?
C2 Ru1 C7 C14 44.2(8) . . . . ?
C5 Ru1 C7 C14 161.4(9) . . . . ?
C6 Ru1 C7 C14 122.5(10) . . . . ?
C4 Ru1 C7 C14 -155.9(9) . . . . ?
C3 Ru1 C7 C14 -121.7(10) . . . . ?
Cl1 Ru1 C7 C14 -52.8(7) . . . . ?
C4 C3 O3 Cu1 -100.1(11) . . . . ?
C7 C3 O3 Cu1 75.2(13) . . . . ?
Ru1 C3 O3 Cu1 -12.8(14) . . . . ?
C34 Cu1 O3 C3 176.7(10) . . . . ?
Cl1 Cu1 O3 C3 5.8(9) . . . . ?
C3 C4 C8 C9 -111.9(9) . . . . ?
C5 C4 C8 C9 51.4(13) . . . . ?
Ru1 C4 C8 C9 145.2(6) . . . . ?
C3 C4 C8 C13 64.5(11) . . . . ?
C5 C4 C8 C13 -132.3(9) . . . . ?
Ru1 C4 C8 C13 -38.4(11) . . . . ?
C13 C8 C9 C10 0.0 . . . . ?
C4 C8 C9 C10 176.4(8) . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C11 C12 C13 C8 0.0 . . . . ?
C9 C8 C13 C12 0.0 . . . . ?
C4 C8 C13 C12 -176.3(8) . . . . ?
C6 C7 C14 C15 -151.7(9) . . . . ?
C3 C7 C14 C15 26.5(12) . . . . ?
Ru1 C7 C14 C15 121.0(6) . . . . ?
C6 C7 C14 C19 30.3(13) . . . . ?
C3 C7 C14 C19 -151.6(8) . . . . ?
Ru1 C7 C14 C19 -57.1(9) . . . . ?
C19 C14 C15 C16 0.0 . . . . ?
C7 C14 C15 C16 -178.1(7) . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C15 C16 C17 C18 0.0 . . . . ?
C16 C17 C18 C19 0.0 . . . . ?
C17 C18 C19 C14 0.0 . . . . ?
C15 C14 C19 C18 0.0 . . . . ?
C7 C14 C19 C18 178.0(8) . . . . ?
C7 C6 C20 C21 50.0(12) . . . . ?
C5 C6 C20 C21 -122.0(9) . . . . ?
Ru1 C6 C20 C21 146.4(6) . . . . ?
C7 C6 C20 C25 -132.5(9) . . . . ?
C5 C6 C20 C25 55.5(12) . . . . ?
Ru1 C6 C20 C25 -36.0(11) . . . . ?
C25 C20 C21 C22 0.0 . . . . ?
C6 C20 C21 C22 177.6(8) . . . . ?
C20 C21 C22 C23 0.0 . . . . ?
C21 C22 C23 O4 -179.7(10) . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
O4 C23 C24 C25 179.6(11) . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 C20 0.0 . . . . ?
C21 C20 C25 C24 0.0 . . . . ?
C6 C20 C25 C24 -177.5(8) . . . . ?
C22 C23 O4 C26 -177.9(13) . . . . ?
C24 C23 O4 C26 2.4(18) . . . . ?
C4 C5 C27 C28 -132.5(9) . . . . ?
C6 C5 C27 C28 40.0(12) . . . . ?
Ru1 C5 C27 C28 132.2(6) . . . . ?
C4 C5 C27 C32 47.1(12) . . . . ?
C6 C5 C27 C32 -140.4(8) . . . . ?
Ru1 C5 C27 C32 -48.2(10) . . . . ?
C32 C27 C28 C29 0.0 . . . . ?
C5 C27 C28 C29 179.6(8) . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C28 C29 C30 O5 176.6(9) . . . . ?
C28 C29 C30 C31 0.0 . . . . ?
O5 C30 C31 C32 -176.8(8) . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C31 C32 C27 0.0 . . . . ?
C28 C27 C32 C31 0.0 . . . . ?
C5 C27 C32 C31 -179.6(8) . . . . ?
C31 C30 O5 C33 170.1(9) . . . . ?
C29 C30 O5 C33 -6.6(14) . . . . ?
O3 Cu1 C34 N1 80.1(14) . . . . ?
Cl1 Cu1 C34 N1 -110.4(10) . . . . ?
O3 Cu1 C34 N2 -99.4(13) . . . . ?
Cl1 Cu1 C34 N2 70.1(12) . . . . ?
N2 C34 N1 C35 0.2(13) . . . . ?
Cu1 C34 N1 C35 -179.4(10) . . . . ?
N2 C34 N1 C37 -176.0(10) . . . . ?
Cu1 C34 N1 C37 4.4(16) . . . . ?
N1 C34 N2 C36 -1.4(15) . . . . ?
Cu1 C34 N2 C36 178.2(9) . . . . ?
N1 C34 N2 C49 -177.6(13) . . . . ?
Cu1 C34 N2 C49 2(2) . . . . ?
C34 N1 C35 C36 1.2(14) . . . . ?
C37 N1 C35 C36 177.5(10) . . . . ?
N1 C35 C36 N2 -2.0(15) . . . . ?
C34 N2 C36 C35 2.2(17) . . . . ?
C49 N2 C36 C35 178.4(14) . . . . ?
C34 N1 C37 C38 -88.0(11) . . . . ?
C35 N1 C37 C38 96.2(10) . . . . ?
C34 N1 C37 C42 96.1(10) . . . . ?
C35 N1 C37 C42 -79.6(10) . . . . ?
C42 C37 C38 C39 0.0 . . . . ?
N1 C37 C38 C39 -175.8(8) . . . . ?
C42 C37 C38 C43 -179.1(8) . . . . ?
N1 C37 C38 C43 5.0(9) . . . . ?
C37 C38 C39 C40 0.0 . . . . ?
C43 C38 C39 C40 179.1(8) . . . . ?
C38 C39 C40 C41 0.0 . . . . ?
C39 C40 C41 C42 0.0 . . . . ?
C40 C41 C42 C37 0.0 . . . . ?
C40 C41 C42 C46 -179.1(8) . . . . ?
C38 C37 C42 C41 0.0 . . . . ?
N1 C37 C42 C41 175.9(8) . . . . ?
C38 C37 C42 C46 179.1(9) . . . . ?
N1 C37 C42 C46 -5.0(9) . . . . ?
C39 C38 C43 C44 -75.0(12) . . . . ?
C37 C38 C43 C44 104.1(12) . . . . ?
C39 C38 C43 C45 46.9(12) . . . . ?
C37 C38 C43 C45 -133.9(9) . . . . ?
C41 C42 C46 C48 84.4(11) . . . . ?
C37 C42 C46 C48 -94.8(12) . . . . ?
C41 C42 C46 C47 -40.1(13) . . . . ?
C37 C42 C46 C47 140.8(9) . . . . ?
C34 N2 C49 C50 -89.4(15) . . . . ?
C36 N2 C49 C50 94.8(16) . . . . ?
C34 N2 C49 C54 95.8(15) . . . . ?
C36 N2 C49 C54 -79.9(16) . . . . ?
C54 C49 C50 C51 0.0 . . . . ?
N2 C49 C50 C51 -174.6(12) . . . . ?
C54 C49 C50 C55 176.7(14) . . . . ?
N2 C49 C50 C55 2.1(15) . . . . ?
C49 C50 C51 C52 0.0 . . . . ?
C55 C50 C51 C52 -176.8(13) . . . . ?
C50 C51 C52 C53 0.0 . . . . ?
C51 C52 C53 C54 0.0 . . . . ?
C52 C53 C54 C49 0.0 . . . . ?
C52 C53 C54 C58 -175.1(13) . . . . ?
C50 C49 C54 C53 0.0 . . . . ?
N2 C49 C54 C53 174.9(11) . . . . ?
C50 C49 C54 C58 175.0(13) . . . . ?
N2 C49 C54 C58 -10.1(14) . . . . ?
C49 C50 C55 C57 -86.9(18) . . . . ?
C51 C50 C55 C57 89.9(16) . . . . ?
C49 C50 C55 C56 147.7(15) . . . . ?
C51 C50 C55 C56 -36(2) . . . . ?
C53 C54 C58 C60 68(2) . . . . ?
C49 C54 C58 C60 -107.1(19) . . . . ?
C53 C54 C58 C59 -62(2) . . . . ?
C49 C54 C58 C59 123.1(17) . . . . ?
C102 Ru2 Cl2 Cu2 140.9(4) . . . . ?
C101 Ru2 Cl2 Cu2 -128.7(5) . . . . ?
C106 Ru2 Cl2 Cu2 39.1(4) . . . . ?
C105 Ru2 Cl2 Cu2 -16.2(5) . . . . ?
C107 Ru2 Cl2 Cu2 35.9(3) . . . . ?
C104 Ru2 Cl2 Cu2 -27.8(3) . . . . ?
C103 Ru2 Cl2 Cu2 0.6(3) . . . . ?
C134 Cu2 Cl2 Ru2 177.9(4) . . . . ?
O103 Cu2 Cl2 Ru2 4.2(2) . . . . ?
C102 Ru2 C101 O101 127(45) . . . . ?
C106 Ru2 C101 O101 -136(45) . . . . ?
C105 Ru2 C101 O101 -113(45) . . . . ?
C107 Ru2 C101 O101 -85(45) . . . . ?
C104 Ru2 C101 O101 -74(45) . . . . ?
C103 Ru2 C101 O101 -50(45) . . . . ?
Cl2 Ru2 C101 O101 31(45) . . . . ?
C101 Ru2 C102 O102 92(10) . . . . ?
C106 Ru2 C102 O102 -43(10) . . . . ?
C105 Ru2 C102 O102 -12(10) . . . . ?
C107 Ru2 C102 O102 -79(10) . . . . ?
C104 Ru2 C102 O102 -25(11) . . . . ?
C103 Ru2 C102 O102 -93(10) . . . . ?
Cl2 Ru2 C102 O102 -176(10) . . . . ?
C102 Ru2 C103 O103 -98.3(11) . . . . ?
C101 Ru2 C103 O103 76.3(10) . . . . ?
C106 Ru2 C103 O103 -158.3(10) . . . . ?
C105 Ru2 C103 O103 158.2(10) . . . . ?
C107 Ru2 C103 O103 -120.0(11) . . . . ?
C104 Ru2 C103 O103 118.8(11) . . . . ?
Cl2 Ru2 C103 O103 -10.0(8) . . . . ?
C102 Ru2 C103 C104 142.9(8) . . . . ?
C101 Ru2 C103 C104 -42.5(9) . . . . ?
C106 Ru2 C103 C104 82.9(6) . . . . ?
C105 Ru2 C103 C104 39.4(6) . . . . ?
C107 Ru2 C103 C104 121.2(8) . . . . ?
Cl2 Ru2 C103 C104 -128.8(6) . . . . ?
C102 Ru2 C103 C107 21.7(9) . . . . ?
C101 Ru2 C103 C107 -163.7(7) . . . . ?
C106 Ru2 C103 C107 -38.3(5) . . . . ?
C105 Ru2 C103 C107 -81.9(6) . . . . ?
C104 Ru2 C103 C107 -121.2(8) . . . . ?
Cl2 Ru2 C103 C107 110.0(5) . . . . ?
O103 C103 C104 C105 176.2(9) . . . . ?
C107 C103 C104 C105 -9.6(11) . . . . ?
Ru2 C103 C104 C105 -63.2(7) . . . . ?
O103 C103 C104 C108 8.3(16) . . . . ?
C107 C103 C104 C108 -177.5(9) . . . . ?
Ru2 C103 C104 C108 129.0(10) . . . . ?
O103 C103 C104 Ru2 -120.6(10) . . . . ?
C107 C103 C104 Ru2 53.6(6) . . . . ?
C102 Ru2 C104 C103 -97.3(13) . . . . ?
C101 Ru2 C104 C103 147.9(7) . . . . ?
C106 Ru2 C104 C103 -77.5(6) . . . . ?
C105 Ru2 C104 C103 -115.7(8) . . . . ?
C107 Ru2 C104 C103 -35.9(6) . . . . ?
Cl2 Ru2 C104 C103 52.6(6) . . . . ?
C102 Ru2 C104 C105 18.4(14) . . . . ?
C101 Ru2 C104 C105 -96.4(7) . . . . ?
C106 Ru2 C104 C105 38.2(5) . . . . ?
C107 Ru2 C104 C105 79.8(6) . . . . ?
C103 Ru2 C104 C105 115.7(8) . . . . ?
Cl2 Ru2 C104 C105 168.3(5) . . . . ?
C102 Ru2 C104 C108 139.8(12) . . . . ?
C101 Ru2 C104 C108 25.1(10) . . . . ?
C106 Ru2 C104 C108 159.6(10) . . . . ?
C105 Ru2 C104 C108 121.4(11) . . . . ?
C107 Ru2 C104 C108 -158.7(10) . . . . ?
C103 Ru2 C104 C108 -122.9(11) . . . . ?
Cl2 Ru2 C104 C108 -70.3(8) . . . . ?
C103 C104 C105 C106 5.5(11) . . . . ?
C108 C104 C105 C106 172.8(9) . . . . ?
Ru2 C104 C105 C106 -62.4(7) . . . . ?
C103 C104 C105 C120 -165.4(9) . . . . ?
C108 C104 C105 C120 2.0(16) . . . . ?
Ru2 C104 C105 C120 126.7(9) . . . . ?
C103 C104 C105 Ru2 67.9(7) . . . . ?
C108 C104 C105 Ru2 -124.7(10) . . . . ?
C102 Ru2 C105 C106 -55.5(8) . . . . ?
C101 Ru2 C105 C106 -152.4(8) . . . . ?
C107 Ru2 C105 C106 36.3(6) . . . . ?
C104 Ru2 C105 C106 116.4(8) . . . . ?
C103 Ru2 C105 C106 79.1(6) . . . . ?
Cl2 Ru2 C105 C106 98.0(7) . . . . ?
C102 Ru2 C105 C104 -171.9(6) . . . . ?
C101 Ru2 C105 C104 91.2(8) . . . . ?
C106 Ru2 C105 C104 -116.4(8) . . . . ?
C107 Ru2 C105 C104 -80.1(6) . . . . ?
C103 Ru2 C105 C104 -37.3(5) . . . . ?
Cl2 Ru2 C105 C104 -18.4(8) . . . . ?
C102 Ru2 C105 C120 65.5(10) . . . . ?
C101 Ru2 C105 C120 -31.4(11) . . . . ?
C106 Ru2 C105 C120 121.0(12) . . . . ?
C107 Ru2 C105 C120 157.4(11) . . . . ?
C104 Ru2 C105 C120 -122.6(11) . . . . ?
C103 Ru2 C105 C120 -159.9(10) . . . . ?
Cl2 Ru2 C105 C120 -141.0(7) . . . . ?
C104 C105 C106 C107 1.3(11) . . . . ?
C120 C105 C106 C107 172.2(9) . . . . ?
Ru2 C105 C106 C107 -61.7(7) . . . . ?
C104 C105 C106 C127 -175.6(9) . . . . ?
C120 C105 C106 C127 -4.7(15) . . . . ?
Ru2 C105 C106 C127 121.4(9) . . . . ?
C104 C105 C106 Ru2 63.0(7) . . . . ?
C120 C105 C106 Ru2 -126.0(10) . . . . ?
C102 Ru2 C106 C107 -107.4(7) . . . . ?
C101 Ru2 C106 C107 157.7(8) . . . . ?
C105 Ru2 C106 C107 118.6(9) . . . . ?
C104 Ru2 C106 C107 80.2(6) . . . . ?
C103 Ru2 C106 C107 39.1(6) . . . . ?
Cl2 Ru2 C106 C107 -5.2(7) . . . . ?
C102 Ru2 C106 C105 134.0(7) . . . . ?
C101 Ru2 C106 C105 39.1(10) . . . . ?
C107 Ru2 C106 C105 -118.6(9) . . . . ?
C104 Ru2 C106 C105 -38.4(6) . . . . ?
C103 Ru2 C106 C105 -79.5(6) . . . . ?
Cl2 Ru2 C106 C105 -123.7(6) . . . . ?
C102 Ru2 C106 C127 13.7(8) . . . . ?
C101 Ru2 C106 C127 -81.2(11) . . . . ?
C105 Ru2 C106 C127 -120.3(10) . . . . ?
C107 Ru2 C106 C127 121.1(10) . . . . ?
C104 Ru2 C106 C127 -158.8(9) . . . . ?
C103 Ru2 C106 C127 160.2(9) . . . . ?
Cl2 Ru2 C106 C127 115.9(7) . . . . ?
C105 C106 C107 C114 -173.8(9) . . . . ?
C127 C106 C107 C114 3.1(16) . . . . ?
Ru2 C106 C107 C114 124.8(10) . . . . ?
C105 C106 C107 C103 -7.3(11) . . . . ?
C127 C106 C107 C103 169.6(8) . . . . ?
Ru2 C106 C107 C103 -68.7(7) . . . . ?
C105 C106 C107 Ru2 61.4(7) . . . . ?
C127 C106 C107 Ru2 -121.7(9) . . . . ?
O103 C103 C107 C106 -175.4(9) . . . . ?
C104 C103 C107 C106 10.5(11) . . . . ?
Ru2 C103 C107 C106 65.0(7) . . . . ?
O103 C103 C107 C114 -7.5(15) . . . . ?
C104 C103 C107 C114 178.5(8) . . . . ?
Ru2 C103 C107 C114 -127.1(8) . . . . ?
O103 C103 C107 Ru2 119.6(10) . . . . ?
C104 C103 C107 Ru2 -54.5(7) . . . . ?
C102 Ru2 C107 C106 78.9(7) . . . . ?
C101 Ru2 C107 C106 -68(2) . . . . ?
C105 Ru2 C107 C106 -37.4(6) . . . . ?
C104 Ru2 C107 C106 -80.5(6) . . . . ?
C103 Ru2 C107 C106 -115.1(8) . . . . ?
Cl2 Ru2 C107 C106 176.1(6) . . . . ?
C102 Ru2 C107 C114 -47.5(9) . . . . ?
C101 Ru2 C107 C114 165.9(18) . . . . ?
C106 Ru2 C107 C114 -126.4(11) . . . . ?
C105 Ru2 C107 C114 -163.8(10) . . . . ?
C104 Ru2 C107 C114 153.1(9) . . . . ?
C103 Ru2 C107 C114 118.5(10) . . . . ?
Cl2 Ru2 C107 C114 49.7(8) . . . . ?
C102 Ru2 C107 C103 -166.0(6) . . . . ?
C101 Ru2 C107 C103 47(2) . . . . ?
C106 Ru2 C107 C103 115.1(8) . . . . ?
C105 Ru2 C107 C103 77.7(6) . . . . ?
C104 Ru2 C107 C103 34.5(5) . . . . ?
Cl2 Ru2 C107 C103 -68.8(5) . . . . ?
C104 C103 O103 Cu2 105.6(10) . . . . ?
C107 C103 O103 Cu2 -67.3(13) . . . . ?
Ru2 C103 O103 Cu2 18.7(12) . . . . ?
C134 Cu2 O103 C103 176.6(9) . . . . ?
Cl2 Cu2 O103 C103 -13.5(8) . . . . ?
C103 C104 C108 C109 -65.3(12) . . . . ?
C105 C104 C108 C109 129.1(9) . . . . ?
Ru2 C104 C108 C109 35.9(11) . . . . ?
C103 C104 C108 C113 112.4(10) . . . . ?
C105 C104 C108 C113 -53.2(13) . . . . ?
Ru2 C104 C108 C113 -146.4(6) . . . . ?
C113 C108 C109 C110 0.0 . . . . ?
C104 C108 C109 C110 177.7(8) . . . . ?
C108 C109 C110 C111 0.0 . . . . ?
C109 C110 C111 C112 0.0 . . . . ?
C110 C111 C112 C113 0.0 . . . . ?
C111 C112 C113 C108 0.0 . . . . ?
C109 C108 C113 C112 0.0 . . . . ?
C104 C108 C113 C112 -177.8(8) . . . . ?
C106 C107 C114 C115 130.0(9) . . . . ?
C103 C107 C114 C115 -35.1(11) . . . . ?
Ru2 C107 C114 C115 -132.7(6) . . . . ?
C106 C107 C114 C119 -48.3(12) . . . . ?
C103 C107 C114 C119 146.6(7) . . . . ?
Ru2 C107 C114 C119 49.1(10) . . . . ?
C119 C114 C115 C116 0.0 . . . . ?
C107 C114 C115 C116 -178.3(7) . . . . ?
C114 C115 C116 C117 0.0 . . . . ?
C115 C116 C117 C118 0.0 . . . . ?
C116 C117 C118 C119 0.0 . . . . ?
C117 C118 C119 C114 0.0 . . . . ?
C115 C114 C119 C118 0.0 . . . . ?
C107 C114 C119 C118 178.3(7) . . . . ?
C106 C105 C120 C121 -45.2(12) . . . . ?
C104 C105 C120 C121 124.1(9) . . . . ?
Ru2 C105 C120 C121 -139.6(7) . . . . ?
C106 C105 C120 C125 137.1(9) . . . . ?
C104 C105 C120 C125 -53.7(12) . . . . ?
Ru2 C105 C120 C125 42.7(12) . . . . ?
C125 C120 C121 C122 0.0 . . . . ?
C105 C120 C121 C122 -177.8(8) . . . . ?
C120 C121 C122 C123 0.0 . . . . ?
C121 C122 C123 O104 -177.4(10) . . . . ?
C121 C122 C123 C124 0.0 . . . . ?
O104 C123 C124 C125 177.6(9) . . . . ?
C122 C123 C124 C125 0.0 . . . . ?
C123 C124 C125 C120 0.0 . . . . ?
C121 C120 C125 C124 0.0 . . . . ?
C105 C120 C125 C124 177.7(9) . . . . ?
C122 C123 O104 C126 4.4(15) . . . . ?
C124 C123 O104 C126 -173.1(10) . . . . ?
C107 C106 C127 C128 134.8(9) . . . . ?
C105 C106 C127 C128 -48.8(12) . . . . ?
Ru2 C106 C127 C128 42.5(10) . . . . ?
C107 C106 C127 C132 -46.2(12) . . . . ?
C105 C106 C127 C132 130.2(9) . . . . ?
Ru2 C106 C127 C132 -138.5(5) . . . . ?
C132 C127 C128 C129 0.0 . . . . ?
C106 C127 C128 C129 179.0(8) . . . . ?
C127 C128 C129 C130 0.0 . . . . ?
C128 C129 C130 O105 176.6(9) . . . . ?
C128 C129 C130 C131 0.0 . . . . ?
O105 C130 C131 C132 -176.9(8) . . . . ?
C129 C130 C131 C132 0.0 . . . . ?
C130 C131 C132 C127 0.0 . . . . ?
C128 C127 C132 C131 0.0 . . . . ?
C106 C127 C132 C131 -179.0(8) . . . . ?
C131 C130 O105 C133 -175.3(11) . . . . ?
C129 C130 O105 C133 8.0(15) . . . . ?
O103 Cu2 C134 N102 -82.5(12) . . . . ?
Cl2 Cu2 C134 N102 109.5(9) . . . . ?
O103 Cu2 C134 N101 95.9(10) . . . . ?
Cl2 Cu2 C134 N101 -72.2(9) . . . . ?
N102 C134 N101 C135 -0.7(11) . . . . ?
Cu2 C134 N101 C135 -179.5(7) . . . . ?
N102 C134 N101 C137 175.5(9) . . . . ?
Cu2 C134 N101 C137 -3.2(14) . . . . ?
N101 C134 N102 C136 1.5(11) . . . . ?
Cu2 C134 N102 C136 -179.9(8) . . . . ?
N101 C134 N102 C149 179.2(8) . . . . ?
Cu2 C134 N102 C149 -2.2(15) . . . . ?
C134 N101 C135 C136 -0.3(12) . . . . ?
C137 N101 C135 C136 -176.6(9) . . . . ?
N101 C135 C136 N102 1.1(12) . . . . ?
C134 N102 C136 C135 -1.7(12) . . . . ?
C149 N102 C136 C135 -179.5(9) . . . . ?
C134 N101 C137 C138 98.7(10) . . . . ?
C135 N101 C137 C138 -85.5(11) . . . . ?
C134 N101 C137 C142 -80.3(11) . . . . ?
C135 N101 C137 C142 95.5(10) . . . . ?
C142 C137 C138 C139 0.0 . . . . ?
N101 C137 C138 C139 -179.0(9) . . . . ?
C142 C137 C138 C143 -177.5(11) . . . . ?
N101 C137 C138 C143 3.5(11) . . . . ?
C137 C138 C139 C140 0.0 . . . . ?
C143 C138 C139 C140 177.5(11) . . . . ?
C138 C139 C140 C141 0.0 . . . . ?
C139 C140 C141 C142 0.0 . . . . ?
C140 C141 C142 C137 0.0 . . . . ?
C140 C141 C142 C146 -179.2(10) . . . . ?
C138 C137 C142 C141 0.0 . . . . ?
N101 C137 C142 C141 179.0(10) . . . . ?
C138 C137 C142 C146 179.2(10) . . . . ?
N101 C137 C142 C146 -1.8(11) . . . . ?
C137 C138 C143 C144 -135.3(11) . . . . ?
C139 C138 C143 C144 47.2(15) . . . . ?
C137 C138 C143 C145 103.4(12) . . . . ?
C139 C138 C143 C145 -74.1(13) . . . . ?
C141 C142 C146 C147 -57.4(14) . . . . ?
C137 C142 C146 C147 123.3(11) . . . . ?
C141 C142 C146 C148 63.3(14) . . . . ?
C137 C142 C146 C148 -115.9(12) . . . . ?
C134 N102 C149 C150 92.9(10) . . . . ?
C136 N102 C149 C150 -89.6(10) . . . . ?
C134 N102 C149 C154 -89.6(10) . . . . ?
C136 N102 C149 C154 87.9(10) . . . . ?
C154 C149 C150 C151 0.0 . . . . ?
N102 C149 C150 C151 177.5(8) . . . . ?
C154 C149 C150 C155 -179.8(8) . . . . ?
N102 C149 C150 C155 -2.3(9) . . . . ?
C149 C150 C151 C152 0.0 . . . . ?
C155 C150 C151 C152 179.8(8) . . . . ?
C150 C151 C152 C153 0.0 . . . . ?
C151 C152 C153 C154 0.0 . . . . ?
C152 C153 C154 C149 0.0 . . . . ?
C152 C153 C154 C158 -179.5(9) . . . . ?
C150 C149 C154 C153 0.0 . . . . ?
N102 C149 C154 C153 -177.5(8) . . . . ?
C150 C149 C154 C158 179.5(9) . . . . ?
N102 C149 C154 C158 2.0(9) . . . . ?
C151 C150 C155 C156 -37.5(13) . . . . ?
C149 C150 C155 C156 142.3(10) . . . . ?
C151 C150 C155 C157 85.2(10) . . . . ?
C149 C150 C155 C157 -95.0(10) . . . . ?
C153 C154 C158 C159 -78.6(11) . . . . ?
C149 C154 C158 C159 101.9(11) . . . . ?
C153 C154 C158 C160 48.9(13) . . . . ?
C149 C154 C158 C160 -130.6(10) . . . . ?
C501 C502 C503 C504 -155(5) . . . . ?
C502 C503 C504 C505 162(4) . . . . ?
C601 C602 C603 C604 115(4) . . . . ?
C602 C603 C604 C605 137(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.03
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.845
_refine_diff_density_min         -1.085
_refine_diff_density_rms         0.116
_database_code_depnum_ccdc_archive 'CCDC 1016383'
