# Supplementary Material (ESI) for New Journal of Chemistry
# This journal is © The Royal Society of Chemistry and 
# The Centre National de la Recherche Scientifique, 2004


data_global

_journal_coden_Cambridge         440

loop_
_publ_author_name
'Samaresh Bhattacharya'
'Anindya Das'
'Gene-Hsiang Lee'
'Shie-Ming Peng'

_publ_contact_author_name        'Dr Samaresh Bhattacharya'
_publ_contact_author_address     
;
Department of Chemistry, Inorganic Chemistry Section
Jadavpur University
Kolkata
700032
INDIA
;

_publ_contact_author_email       SAMARESH_B@HOTMAIL.COM

_publ_requested_journal          'New Journal of Chemistry'

_publ_section_title              
;
Synthesis, structure and electrochemical properties
of a group of ruthenium(III) complexes of N-(aryl)picolinamide
;

data_ic9994
_database_code_depnum_ccdc_archive 'CCDC 231953'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H33 N6 O6 Ru'
_chemical_formula_weight         782.78

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           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   10.5172(5)
_cell_length_b                   13.5574(6)
_cell_length_c                   14.6025(7)
_cell_angle_alpha                117.086(1)
_cell_angle_beta                 95.729(1)
_cell_angle_gamma                103.286(1)
_cell_volume                     1753.19(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    8129
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      27.31

_exptl_crystal_description       plate
_exptl_crystal_colour            dark-red
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.35
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             802
_exptl_absorpt_coefficient_mu    0.504
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8048
_exptl_absorpt_correction_T_max  0.8432
_exptl_absorpt_process_details   ?

_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  'BRUKER SMART ApexCCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            23191
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_sigmaI/netI    0.0329
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.77
_diffrn_reflns_theta_max         27.50
_reflns_number_total             8042
_reflns_number_gt                7256
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0446P)^2^+0.3203P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8042
_refine_ls_number_parameters     469
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0323
_refine_ls_wR_factor_ref         0.0844
_refine_ls_wR_factor_gt          0.0820
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_restrained_S_all      1.086
_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
Ru Ru 0.637459(14) 0.676614(12) 0.820617(11) 0.02671(6) Uani 1 1 d . . .
O1 O 0.43750(19) 0.42356(16) 0.87713(16) 0.0610(5) Uani 1 1 d . . .
O2 O 0.8866(2) 0.21558(17) 0.72978(17) 0.0712(6) Uani 1 1 d . . .
O3 O 1.02920(15) 0.83868(16) 0.99119(12) 0.0515(4) Uani 1 1 d . . .
O4 O 0.7378(2) 1.02735(17) 1.35878(14) 0.0653(5) Uani 1 1 d . . .
O5 O 0.33562(17) 0.65012(15) 0.59392(15) 0.0552(5) Uani 1 1 d . . .
O6 O 0.1144(2) 0.15521(16) 0.52783(17) 0.0689(6) Uani 1 1 d . . .
N1 N 0.48819(16) 0.70089(15) 0.90073(13) 0.0333(4) Uani 1 1 d . . .
N2 N 0.60064(17) 0.53683(14) 0.83952(14) 0.0330(4) Uani 1 1 d . . .
N3 N 0.79214(16) 0.64884(14) 0.74631(13) 0.0307(3) Uani 1 1 d . . .
N4 N 0.79664(16) 0.77760(14) 0.94615(12) 0.0299(3) Uani 1 1 d . . .
N5 N 0.64562(16) 0.81163(14) 0.78485(13) 0.0304(3) Uani 1 1 d . . .
N6 N 0.47680(16) 0.59993(14) 0.68505(13) 0.0322(4) Uani 1 1 d . . .
C1 C 0.4411(2) 0.7924(2) 0.93512(18) 0.0445(5) Uani 1 1 d . . .
H1A H 0.4827 0.8559 0.9277 0.053 Uiso 1 1 calc R . .
C2 C 0.3331(3) 0.7949(3) 0.9810(2) 0.0586(7) Uani 1 1 d . . .
H2A H 0.3010 0.8586 1.0031 0.070 Uiso 1 1 calc R . .
C3 C 0.2728(3) 0.7017(3) 0.9940(2) 0.0651(8) Uani 1 1 d . . .
H3A H 0.1999 0.7020 1.0252 0.078 Uiso 1 1 calc R . .
C4 C 0.3218(3) 0.6084(3) 0.9603(2) 0.0552(6) Uani 1 1 d . . .
H4A H 0.2834 0.5454 0.9692 0.066 Uiso 1 1 calc R . .
C5 C 0.4292(2) 0.6099(2) 0.91282(17) 0.0387(5) Uani 1 1 d . . .
C6 C 0.4878(2) 0.5119(2) 0.87374(18) 0.0401(5) Uani 1 1 d . . .
C7 C 0.6751(2) 0.45535(18) 0.81179(17) 0.0355(4) Uani 1 1 d . . .
C8 C 0.6174(3) 0.3401(2) 0.7333(2) 0.0472(6) Uani 1 1 d . . .
H8A H 0.5278 0.3141 0.6978 0.057 Uiso 1 1 calc R . .
C9 C 0.6913(3) 0.2636(2) 0.7072(2) 0.0540(6) Uani 1 1 d . . .
H9A H 0.6518 0.1869 0.6532 0.065 Uiso 1 1 calc R . .
C10 C 0.8241(3) 0.2999(2) 0.7608(2) 0.0487(6) Uani 1 1 d . . .
C11 C 0.8831(2) 0.4142(2) 0.8392(2) 0.0486(6) Uani 1 1 d . . .
H11A H 0.9724 0.4398 0.8752 0.058 Uiso 1 1 calc R . .
C12 C 0.8073(2) 0.4913(2) 0.86415(19) 0.0428(5) Uani 1 1 d . . .
H12A H 0.8470 0.5684 0.9172 0.051 Uiso 1 1 calc R . .
C13 C 1.0136(3) 0.2410(3) 0.7921(3) 0.0672(8) Uani 1 1 d . . .
H13A H 1.0455 0.1748 0.7614 0.101 Uiso 1 1 calc R . .
H13B H 1.0059 0.2588 0.8624 0.101 Uiso 1 1 calc R . .
H13C H 1.0758 0.3069 0.7947 0.101 Uiso 1 1 calc R . .
C14 C 0.7824(2) 0.5823(2) 0.64287(17) 0.0407(5) Uani 1 1 d . . .
H14A H 0.6975 0.5413 0.5975 0.049 Uiso 1 1 calc R . .
C15 C 0.8938(2) 0.5725(2) 0.60125(19) 0.0497(6) Uani 1 1 d . . .
H15A H 0.8838 0.5255 0.5290 0.060 Uiso 1 1 calc R . .
C16 C 1.0201(2) 0.6329(2) 0.66786(19) 0.0489(6) Uani 1 1 d . . .
H16A H 1.0967 0.6274 0.6416 0.059 Uiso 1 1 calc R . .
C17 C 1.0301(2) 0.7020(2) 0.77500(18) 0.0425(5) Uani 1 1 d . . .
H17A H 1.1141 0.7436 0.8218 0.051 Uiso 1 1 calc R . .
C18 C 0.91537(19) 0.70858(17) 0.81171(16) 0.0317(4) Uani 1 1 d . . .
C19 C 0.9194(2) 0.78226(17) 0.92626(16) 0.0335(4) Uani 1 1 d . . .
C20 C 0.7866(2) 0.84465(17) 1.05298(16) 0.0329(4) Uani 1 1 d . . .
C21 C 0.8450(3) 0.96467(19) 1.11072(18) 0.0460(5) Uani 1 1 d . . .
H21A H 0.8938 1.0033 1.0805 0.055 Uiso 1 1 calc R . .
C22 C 0.8312(3) 1.0276(2) 1.2132(2) 0.0551(6) Uani 1 1 d . . .
H22A H 0.8722 1.1079 1.2517 0.066 Uiso 1 1 calc R . .
C23 C 0.7572(3) 0.9719(2) 1.25827(18) 0.0472(6) Uani 1 1 d . . .
C24 C 0.6989(2) 0.8530(2) 1.20135(18) 0.0456(5) Uani 1 1 d . . .
H24A H 0.6489 0.8148 1.2313 0.055 Uiso 1 1 calc R . .
C25 C 0.7142(2) 0.78990(19) 1.09987(17) 0.0378(5) Uani 1 1 d . . .
H25A H 0.6751 0.7094 1.0626 0.045 Uiso 1 1 calc R . .
C26 C 0.8139(4) 1.1473(3) 1.4255(2) 0.0789(10) Uani 1 1 d . . .
H26A H 0.7910 1.1756 1.4930 0.118 Uiso 1 1 calc R . .
H26B H 0.7937 1.1916 1.3933 0.118 Uiso 1 1 calc R . .
H26C H 0.9081 1.1553 1.4351 0.118 Uiso 1 1 calc R . .
C27 C 0.7435(2) 0.91471(18) 0.82889(17) 0.0378(5) Uani 1 1 d . . .
H27A H 0.8175 0.9295 0.8792 0.045 Uiso 1 1 calc R . .
C28 C 0.7379(3) 0.99888(19) 0.80210(19) 0.0475(6) Uani 1 1 d . . .
H28A H 0.8085 1.0682 0.8323 0.057 Uiso 1 1 calc R . .
C29 C 0.6279(3) 0.9801(2) 0.7308(2) 0.0583(7) Uani 1 1 d . . .
H29A H 0.6208 1.0373 0.7139 0.070 Uiso 1 1 calc R . .
C30 C 0.5271(3) 0.8738(2) 0.6841(2) 0.0512(6) Uani 1 1 d . . .
H30A H 0.4514 0.8585 0.6351 0.061 Uiso 1 1 calc R . .
C31 C 0.5404(2) 0.79144(18) 0.71115(17) 0.0357(4) Uani 1 1 d . . .
C32 C 0.4384(2) 0.67163(18) 0.65776(17) 0.0367(5) Uani 1 1 d . . .
C33 C 0.3826(2) 0.48529(18) 0.64052(16) 0.0345(4) Uani 1 1 d . . .
C34 C 0.2602(2) 0.4691(2) 0.66871(18) 0.0425(5) Uani 1 1 d . . .
H34A H 0.2376 0.5334 0.7153 0.051 Uiso 1 1 calc R . .
C35 C 0.1716(2) 0.3582(2) 0.6280(2) 0.0502(6) Uani 1 1 d . . .
H35A H 0.0892 0.3484 0.6462 0.060 Uiso 1 1 calc R . .
C36 C 0.2049(2) 0.2617(2) 0.56018(19) 0.0487(6) Uani 1 1 d . . .
C37 C 0.3246(3) 0.2771(2) 0.5297(2) 0.0520(6) Uani 1 1 d . . .
H37A H 0.3466 0.2129 0.4822 0.062 Uiso 1 1 calc R . .
C38 C 0.4124(2) 0.38905(19) 0.57015(19) 0.0439(5) Uani 1 1 d . . .
H38A H 0.4929 0.3990 0.5492 0.053 Uiso 1 1 calc R . .
C39 C 0.1427(4) 0.0545(3) 0.4540(3) 0.0943(13) Uani 1 1 d . . .
H39A H 0.0722 -0.0141 0.4382 0.141 Uiso 1 1 calc R . .
H39B H 0.2267 0.0520 0.4838 0.141 Uiso 1 1 calc R . .
H39C H 0.1483 0.0577 0.3901 0.141 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru 0.02284(9) 0.02600(9) 0.02791(9) 0.01136(7) 0.00499(6) 0.00636(6)
O1 0.0627(12) 0.0517(11) 0.0825(14) 0.0439(11) 0.0316(10) 0.0128(9)
O2 0.0792(14) 0.0581(12) 0.0755(13) 0.0229(10) 0.0119(11) 0.0448(11)
O3 0.0269(8) 0.0655(11) 0.0365(8) 0.0099(8) 0.0001(6) 0.0063(7)
O4 0.0887(15) 0.0624(12) 0.0386(9) 0.0149(9) 0.0235(10) 0.0306(11)
O5 0.0423(9) 0.0510(10) 0.0629(11) 0.0304(9) -0.0142(8) 0.0044(8)
O6 0.0587(12) 0.0425(10) 0.0771(14) 0.0181(10) 0.0137(10) -0.0080(9)
N1 0.0283(8) 0.0381(9) 0.0307(9) 0.0143(7) 0.0073(7) 0.0108(7)
N2 0.0322(9) 0.0302(8) 0.0368(9) 0.0173(7) 0.0077(7) 0.0083(7)
N3 0.0270(8) 0.0299(8) 0.0319(8) 0.0133(7) 0.0066(7) 0.0076(7)
N4 0.0280(8) 0.0288(8) 0.0270(8) 0.0107(7) 0.0046(6) 0.0063(7)
N5 0.0291(8) 0.0282(8) 0.0297(8) 0.0116(7) 0.0061(7) 0.0077(7)
N6 0.0277(8) 0.0289(8) 0.0319(8) 0.0113(7) 0.0029(7) 0.0047(7)
C1 0.0420(12) 0.0482(13) 0.0419(12) 0.0176(10) 0.0126(10) 0.0205(11)
C2 0.0565(16) 0.0759(19) 0.0527(15) 0.0276(14) 0.0272(13) 0.0395(15)
C3 0.0514(16) 0.099(2) 0.0648(18) 0.0454(17) 0.0363(14) 0.0375(16)
C4 0.0431(13) 0.0739(18) 0.0583(16) 0.0393(14) 0.0235(12) 0.0156(13)
C5 0.0317(10) 0.0471(12) 0.0363(11) 0.0208(10) 0.0083(9) 0.0099(9)
C6 0.0390(12) 0.0409(12) 0.0403(12) 0.0222(10) 0.0088(9) 0.0077(9)
C7 0.0408(11) 0.0332(10) 0.0387(11) 0.0218(9) 0.0104(9) 0.0132(9)
C8 0.0469(13) 0.0386(12) 0.0503(14) 0.0197(11) 0.0003(11) 0.0127(10)
C9 0.0689(17) 0.0363(12) 0.0478(14) 0.0142(11) 0.0041(12) 0.0193(12)
C10 0.0573(15) 0.0469(13) 0.0533(14) 0.0277(12) 0.0177(12) 0.0273(12)
C11 0.0409(13) 0.0501(14) 0.0604(15) 0.0300(12) 0.0107(11) 0.0184(11)
C12 0.0426(12) 0.0351(11) 0.0494(13) 0.0204(10) 0.0084(10) 0.0118(10)
C13 0.0692(19) 0.0698(19) 0.081(2) 0.0408(17) 0.0227(16) 0.0425(16)
C14 0.0323(11) 0.0436(12) 0.0319(11) 0.0094(9) 0.0046(9) 0.0086(9)
C15 0.0450(13) 0.0564(15) 0.0349(12) 0.0107(11) 0.0141(10) 0.0172(11)
C16 0.0370(12) 0.0569(15) 0.0459(13) 0.0170(11) 0.0166(10) 0.0182(11)
C17 0.0263(10) 0.0516(13) 0.0426(12) 0.0186(11) 0.0072(9) 0.0102(9)
C18 0.0272(9) 0.0316(10) 0.0329(10) 0.0141(8) 0.0054(8) 0.0079(8)
C19 0.0300(10) 0.0333(10) 0.0316(10) 0.0135(9) 0.0041(8) 0.0068(8)
C20 0.0308(10) 0.0341(10) 0.0298(10) 0.0135(8) 0.0046(8) 0.0093(8)
C21 0.0571(15) 0.0345(11) 0.0390(12) 0.0153(10) 0.0144(11) 0.0063(10)
C22 0.0735(18) 0.0357(12) 0.0410(13) 0.0097(10) 0.0127(12) 0.0112(12)
C23 0.0566(15) 0.0519(14) 0.0330(11) 0.0171(10) 0.0122(10) 0.0246(12)
C24 0.0489(13) 0.0525(14) 0.0394(12) 0.0251(11) 0.0150(10) 0.0152(11)
C25 0.0383(11) 0.0359(11) 0.0347(11) 0.0167(9) 0.0050(9) 0.0072(9)
C26 0.083(2) 0.082(2) 0.0434(15) 0.0051(15) 0.0086(15) 0.0355(19)
C27 0.0377(11) 0.0314(10) 0.0371(11) 0.0141(9) 0.0052(9) 0.0060(9)
C28 0.0535(14) 0.0317(11) 0.0467(13) 0.0171(10) 0.0065(11) 0.0021(10)
C29 0.0725(18) 0.0408(13) 0.0655(17) 0.0338(13) 0.0037(14) 0.0132(12)
C30 0.0507(14) 0.0472(14) 0.0558(15) 0.0293(12) -0.0012(12) 0.0131(11)
C31 0.0332(10) 0.0347(11) 0.0371(11) 0.0162(9) 0.0075(9) 0.0105(9)
C32 0.0321(10) 0.0355(11) 0.0345(11) 0.0133(9) 0.0024(8) 0.0077(9)
C33 0.0304(10) 0.0325(10) 0.0321(10) 0.0130(8) 0.0001(8) 0.0042(8)
C34 0.0360(11) 0.0413(12) 0.0415(12) 0.0154(10) 0.0084(9) 0.0084(9)
C35 0.0364(12) 0.0522(14) 0.0503(14) 0.0218(12) 0.0100(10) 0.0012(11)
C36 0.0463(13) 0.0373(12) 0.0462(13) 0.0163(11) 0.0016(11) -0.0023(10)
C37 0.0521(15) 0.0337(12) 0.0501(14) 0.0084(11) 0.0096(11) 0.0060(11)
C38 0.0364(12) 0.0372(12) 0.0476(13) 0.0145(10) 0.0109(10) 0.0069(9)
C39 0.106(3) 0.0397(16) 0.097(3) 0.0141(17) 0.034(2) -0.0085(17)

_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
Ru N2 1.9945(17) . ?
Ru N4 2.0214(16) . ?
Ru N1 2.0481(17) . ?
Ru N3 2.0561(16) . ?
Ru N5 2.1067(16) . ?
Ru N6 2.1226(16) . ?
O1 C6 1.219(3) . ?
O2 C10 1.370(3) . ?
O2 C13 1.410(3) . ?
O3 C19 1.238(2) . ?
O4 C23 1.373(3) . ?
O4 C26 1.427(4) . ?
O5 C32 1.236(3) . ?
O6 C36 1.368(3) . ?
O6 C39 1.423(4) . ?
N1 C5 1.344(3) . ?
N1 C1 1.342(3) . ?
N2 C6 1.364(3) . ?
N2 C7 1.432(3) . ?
N3 C14 1.339(3) . ?
N3 C18 1.347(3) . ?
N4 C19 1.345(3) . ?
N4 C20 1.434(2) . ?
N5 C31 1.346(3) . ?
N5 C27 1.347(3) . ?
N6 C32 1.330(3) . ?
N6 C33 1.436(2) . ?
C1 C2 1.375(3) . ?
C2 C3 1.382(4) . ?
C3 C4 1.375(4) . ?
C4 C5 1.383(3) . ?
C5 C6 1.493(3) . ?
C7 C12 1.375(3) . ?
C7 C8 1.385(3) . ?
C8 C9 1.376(3) . ?
C9 C10 1.385(4) . ?
C10 C11 1.378(3) . ?
C11 C12 1.398(3) . ?
C14 C15 1.378(3) . ?
C15 C16 1.377(3) . ?
C16 C17 1.387(3) . ?
C17 C18 1.374(3) . ?
C18 C19 1.497(3) . ?
C20 C25 1.381(3) . ?
C20 C21 1.387(3) . ?
C21 C22 1.388(3) . ?
C22 C23 1.377(4) . ?
C23 C24 1.374(3) . ?
C24 C25 1.382(3) . ?
C27 C28 1.375(3) . ?
C28 C29 1.368(4) . ?
C29 C30 1.387(3) . ?
C30 C31 1.373(3) . ?
C31 C32 1.509(3) . ?
C33 C38 1.374(3) . ?
C33 C34 1.391(3) . ?
C34 C35 1.384(3) . ?
C35 C36 1.383(4) . ?
C36 C37 1.380(4) . ?
C37 C38 1.391(3) . ?

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
N2 Ru N4 96.43(7) . . ?
N2 Ru N1 80.00(7) . . ?
N4 Ru N1 98.03(7) . . ?
N2 Ru N3 97.24(7) . . ?
N4 Ru N3 79.94(7) . . ?
N1 Ru N3 176.41(6) . . ?
N2 Ru N5 170.94(6) . . ?
N4 Ru N5 92.28(6) . . ?
N1 Ru N5 96.36(7) . . ?
N3 Ru N5 86.70(6) . . ?
N2 Ru N6 94.85(7) . . ?
N4 Ru N6 168.72(6) . . ?
N1 Ru N6 83.60(7) . . ?
N3 Ru N6 98.98(6) . . ?
N5 Ru N6 76.43(6) . . ?
C10 O2 C13 118.3(2) . . ?
C23 O4 C26 117.7(2) . . ?
C36 O6 C39 117.7(2) . . ?
C5 N1 C1 119.03(19) . . ?
C5 N1 Ru 113.74(14) . . ?
C1 N1 Ru 127.12(16) . . ?
C6 N2 C7 117.33(17) . . ?
C6 N2 Ru 116.57(14) . . ?
C7 N2 Ru 125.86(13) . . ?
C14 N3 C18 118.61(17) . . ?
C14 N3 Ru 127.37(14) . . ?
C18 N3 Ru 113.99(13) . . ?
C19 N4 C20 118.80(16) . . ?
C19 N4 Ru 116.79(13) . . ?
C20 N4 Ru 124.40(13) . . ?
C31 N5 C27 117.84(18) . . ?
C31 N5 Ru 115.49(13) . . ?
C27 N5 Ru 126.66(14) . . ?
C32 N6 C33 115.90(17) . . ?
C32 N6 Ru 117.03(13) . . ?
C33 N6 Ru 124.40(13) . . ?
N1 C1 C2 121.8(2) . . ?
C1 C2 C3 119.2(3) . . ?
C4 C3 C2 119.3(2) . . ?
C3 C4 C5 118.9(2) . . ?
N1 C5 C4 121.8(2) . . ?
N1 C5 C6 116.04(18) . . ?
C4 C5 C6 122.2(2) . . ?
O1 C6 N2 127.1(2) . . ?
O1 C6 C5 120.8(2) . . ?
N2 C6 C5 112.11(18) . . ?
C12 C7 C8 118.5(2) . . ?
C12 C7 N2 119.73(19) . . ?
C8 C7 N2 121.7(2) . . ?
C9 C8 C7 120.7(2) . . ?
C8 C9 C10 120.5(2) . . ?
O2 C10 C11 125.1(2) . . ?
O2 C10 C9 115.4(2) . . ?
C11 C10 C9 119.5(2) . . ?
C10 C11 C12 119.3(2) . . ?
C7 C12 C11 121.3(2) . . ?
N3 C14 C15 122.4(2) . . ?
C14 C15 C16 119.3(2) . . ?
C15 C16 C17 118.4(2) . . ?
C18 C17 C16 119.7(2) . . ?
N3 C18 C17 121.72(19) . . ?
N3 C18 C19 116.01(17) . . ?
C17 C18 C19 122.27(18) . . ?
O3 C19 N4 127.13(19) . . ?
O3 C19 C18 119.62(18) . . ?
N4 C19 C18 113.25(16) . . ?
C25 C20 C21 118.3(2) . . ?
C25 C20 N4 119.82(18) . . ?
C21 C20 N4 121.82(18) . . ?
C20 C21 C22 120.6(2) . . ?
C23 C22 C21 120.3(2) . . ?
O4 C23 C24 116.5(2) . . ?
O4 C23 C22 124.2(2) . . ?
C24 C23 C22 119.3(2) . . ?
C23 C24 C25 120.5(2) . . ?
C20 C25 C24 120.9(2) . . ?
N5 C27 C28 122.3(2) . . ?
C29 C28 C27 119.6(2) . . ?
C28 C29 C30 118.5(2) . . ?
C31 C30 C29 119.2(2) . . ?
N5 C31 C30 122.3(2) . . ?
N5 C31 C32 116.17(18) . . ?
C30 C31 C32 121.5(2) . . ?
O5 C32 N6 128.3(2) . . ?
O5 C32 C31 119.12(19) . . ?
N6 C32 C31 112.56(17) . . ?
C38 C33 C34 118.6(2) . . ?
C38 C33 N6 120.63(19) . . ?
C34 C33 N6 120.78(19) . . ?
C35 C34 C33 120.5(2) . . ?
C36 C35 C34 120.4(2) . . ?
O6 C36 C37 124.0(2) . . ?
O6 C36 C35 116.5(2) . . ?
C37 C36 C35 119.5(2) . . ?
C36 C37 C38 119.7(2) . . ?
C33 C38 C37 121.3(2) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.779
_refine_diff_density_min         -0.226
_refine_diff_density_rms         0.068