# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2010

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author_name        'Goutam Lahiri'
_publ_contact_author_email       LAHIRI@CHEM.IITB.AC.IN

_publ_section_title              
;
Paramagnetic ruthenium-biimidazole derivatives
[(acac)2RuIII(LHn)]m, n/m = 2/+, 1/0, 0/?. Synthesis, structures,
solution properties and anion receptor features in solution state
;
loop_
_publ_author_name
'Goutam Lahiri'
'Tanaya Kundu'
'Shaikh M Mobin'

# Attachment '1.cif'

data_for_1
_database_code_depnum_ccdc_archive 'CCDC 747924'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H38 N8 O8 Ru2'
_chemical_formula_weight         864.84

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   'C 2/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                   21.951(2)
_cell_length_b                   22.3352(12)
_cell_length_c                   15.1032(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.134(8)
_cell_angle_gamma                90.00
_cell_volume                     7076.0(9)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    10590
_cell_measurement_theta_min      2.9605
_cell_measurement_theta_max      32.5072

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.624
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3504
_exptl_absorpt_coefficient_mu    0.914
_exptl_absorpt_correction_T_min  0.7523
_exptl_absorpt_correction_T_max  0.8104
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'OXFORD DIFFRACTION XCALIBUR-S'
_diffrn_measurement_method       \w/q-scan
_diffrn_detector_area_resol_mean 15.9948
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26995
_diffrn_reflns_av_R_equivalents  0.1026
_diffrn_reflns_av_sigmaI/netI    0.0528
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.98
_diffrn_reflns_theta_max         25.00
_reflns_number_total             6215
_reflns_number_gt                5367
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97

_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^)+(0.0389P)^2^+7.7737P] 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    RIDING
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6215
_refine_ls_number_parameters     468
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0412
_refine_ls_wR_factor_ref         0.0870
_refine_ls_wR_factor_gt          0.0826
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_restrained_S_all      1.117
_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 0.229576(13) 0.046360(12) 0.255312(19) 0.02204(9) Uani 1 1 d . . .
Ru2 Ru 0.5000 0.183176(16) 0.7500 0.02087(11) Uani 1 2 d S . .
Ru3 Ru 0.5000 -0.270723(16) 0.7500 0.02049(11) Uani 1 2 d S . .
O1 O 0.20988(12) -0.03065(10) 0.18435(17) 0.0266(5) Uani 1 1 d . . .
O2 O 0.30992(11) 0.01164(10) 0.34119(17) 0.0269(5) Uani 1 1 d . . .
O3 O 0.27655(11) 0.07064(11) 0.16520(17) 0.0280(6) Uani 1 1 d . . .
O4 O 0.25041(11) 0.12292(10) 0.32650(17) 0.0275(5) Uani 1 1 d . . .
O5 O 0.43802(12) 0.18436(10) 0.82367(16) 0.0249(5) Uani 1 1 d . . .
O6 O 0.45027(12) 0.24517(10) 0.66126(16) 0.0260(5) Uani 1 1 d . . .
O7 O 0.51451(11) -0.33605(10) 0.66650(16) 0.0258(5) Uani 1 1 d . . .
O8 O 0.59146(11) -0.27126(10) 0.82591(16) 0.0248(5) Uani 1 1 d . . .
N1 N 0.17133(14) 0.02587(12) 0.33582(19) 0.0236(6) Uani 1 1 d . . .
N2 N 0.07762(16) 0.03558(13) 0.3587(2) 0.0265(7) Uani 1 1 d . . .
N3 N 0.14565(13) 0.08027(12) 0.17634(19) 0.0227(6) Uani 1 1 d . . .
N4 N 0.04034(14) 0.09244(13) 0.1549(2) 0.0289(7) Uani 1 1 d . . .
N5 N 0.45355(13) 0.11264(12) 0.67310(19) 0.0211(6) Uani 1 1 d . . .
N6 N 0.44527(15) 0.01381(14) 0.6519(2) 0.0267(7) Uani 1 1 d . . .
N7 N 0.51146(13) -0.20000(12) 0.67014(19) 0.0225(6) Uani 1 1 d . . .
N8 N 0.50332(14) -0.10071(12) 0.6463(2) 0.0242(6) Uani 1 1 d . . .
C1 C 0.2314(2) -0.11828(16) 0.1133(3) 0.0382(9) Uani 1 1 d . . .
H1A H 0.1936 -0.1380 0.1216 0.057 Uiso 1 1 calc R . .
H1B H 0.2655 -0.1478 0.1202 0.057 Uiso 1 1 calc R . .
H1C H 0.2208 -0.1005 0.0513 0.057 Uiso 1 1 calc R . .
C2 C 0.25333(18) -0.06992(15) 0.1853(2) 0.0262(8) Uani 1 1 d . . .
C3 C 0.31372(18) -0.07213(15) 0.2460(2) 0.0272(8) Uani 1 1 d . . .
H3 H 0.3411 -0.1027 0.2360 0.033 Uiso 1 1 calc R . .
C4 C 0.33904(17) -0.03387(15) 0.3213(2) 0.0251(8) Uani 1 1 d . . .
C5 C 0.40226(19) -0.04701(17) 0.3874(3) 0.0343(9) Uani 1 1 d . . .
H5A H 0.4292 -0.0112 0.3955 0.051 Uiso 1 1 calc R . .
H5B H 0.4224 -0.0798 0.3632 0.051 Uiso 1 1 calc R . .
H5C H 0.3970 -0.0587 0.4473 0.051 Uiso 1 1 calc R . .
C6 C 0.34208(19) 0.12576(18) 0.0985(3) 0.0374(9) Uani 1 1 d . . .
H6A H 0.3729 0.0936 0.1012 0.056 Uiso 1 1 calc R . .
H6B H 0.3641 0.1645 0.1068 0.056 Uiso 1 1 calc R . .
H6C H 0.3094 0.1250 0.0381 0.056 Uiso 1 1 calc R . .
C7 C 0.31120(16) 0.11694(15) 0.1739(3) 0.0266(8) Uani 1 1 d . . .
C8 C 0.32117(17) 0.15882(16) 0.2454(3) 0.0312(9) Uani 1 1 d . . .
H8 H 0.3515 0.1894 0.2465 0.037 Uiso 1 1 calc R . .
C9 C 0.29180(17) 0.16076(15) 0.3149(3) 0.0270(8) Uani 1 1 d . . .
C10 C 0.3051(2) 0.21196(17) 0.3818(3) 0.0418(10) Uani 1 1 d . . .
H10A H 0.2696 0.2404 0.3645 0.063 Uiso 1 1 calc R . .
H10B H 0.3445 0.2321 0.3802 0.063 Uiso 1 1 calc R . .
H10C H 0.3101 0.1969 0.4444 0.063 Uiso 1 1 calc R . .
C11 C 0.17556(18) 0.00458(16) 0.4230(3) 0.0282(8) Uani 1 1 d . . .
H11 H 0.2127 -0.0114 0.4660 0.034 Uiso 1 1 calc R . .
C12 C 0.11765(18) 0.01041(16) 0.4369(3) 0.0296(8) Uani 1 1 d . . .
H12 H 0.1068 -0.0009 0.4910 0.036 Uiso 1 1 calc R . .
C13 C 0.11135(17) 0.04441(15) 0.2992(2) 0.0240(7) Uani 1 1 d . . .
C14 C 0.09549(17) 0.07275(15) 0.2103(2) 0.0244(7) Uani 1 1 d . . .
C15 C 0.05660(18) 0.11579(16) 0.0808(3) 0.0311(8) Uani 1 1 d . . .
H15 H 0.0278 0.1346 0.0287 0.037 Uiso 1 1 calc R . .
C16 C 0.12060(18) 0.10787(16) 0.0931(2) 0.0284(8) Uani 1 1 d . . .
H16 H 0.1433 0.1195 0.0512 0.034 Uiso 1 1 calc R . .
C17 C 0.3622(2) 0.22324(18) 0.8887(3) 0.0388(10) Uani 1 1 d . . .
H17A H 0.3431 0.1836 0.8883 0.058 Uiso 1 1 calc R . .
H17B H 0.3287 0.2538 0.8759 0.058 Uiso 1 1 calc R . .
H17C H 0.3928 0.2307 0.9496 0.058 Uiso 1 1 calc R . .
C18 C 0.39593(17) 0.22577(15) 0.8159(2) 0.0255(8) Uani 1 1 d . . .
C19 C 0.37916(17) 0.26867(16) 0.7476(3) 0.0281(8) Uani 1 1 d . . .
H19 H 0.3474 0.2965 0.7515 0.034 Uiso 1 1 calc R . .
C20 C 0.40408(18) 0.27554(14) 0.6727(2) 0.0263(8) Uani 1 1 d . . .
C21 C 0.3747(2) 0.31895(17) 0.5963(3) 0.0363(9) Uani 1 1 d . . .
H21A H 0.4081 0.3443 0.5849 0.054 Uiso 1 1 calc R . .
H21B H 0.3437 0.3441 0.6142 0.054 Uiso 1 1 calc R . .
H21C H 0.3531 0.2968 0.5397 0.054 Uiso 1 1 calc R . .
C22 C 0.40706(17) 0.10192(16) 0.5923(2) 0.0261(8) Uani 1 1 d . . .
H22 H 0.3826 0.1314 0.5518 0.031 Uiso 1 1 calc R . .
C23 C 0.40167(18) 0.04143(16) 0.5797(3) 0.0295(8) Uani 1 1 d . . .
H23 H 0.3724 0.0217 0.5290 0.035 Uiso 1 1 calc R . .
C24 C 0.47472(16) 0.05824(14) 0.7065(2) 0.0207(7) Uani 1 1 d . . .
C25 C 0.5585(2) -0.42520(18) 0.6290(3) 0.0423(10) Uani 1 1 d . . .
H25A H 0.5167 -0.4445 0.6164 0.063 Uiso 1 1 calc R . .
H25B H 0.5920 -0.4539 0.6590 0.063 Uiso 1 1 calc R . .
H25C H 0.5648 -0.4116 0.5706 0.063 Uiso 1 1 calc R . .
C26 C 0.56154(18) -0.37265(15) 0.6915(2) 0.0274(8) Uani 1 1 d . . .
C27 C 0.61474(17) -0.36535(17) 0.7687(3) 0.0302(8) Uani 1 1 d . . .
H27 H 0.6448 -0.3971 0.7821 0.036 Uiso 1 1 calc R . .
C28 C 0.62812(17) -0.31652(16) 0.8277(2) 0.0260(8) Uani 1 1 d . . .
C29 C 0.69142(19) -0.3118(2) 0.9002(3) 0.0400(10) Uani 1 1 d . . .
H29A H 0.7167 -0.2801 0.8832 0.060 Uiso 1 1 calc R . .
H29B H 0.7141 -0.3500 0.9047 0.060 Uiso 1 1 calc R . .
H29C H 0.6849 -0.3024 0.9601 0.060 Uiso 1 1 calc R . .
C30 C 0.51510(17) -0.18867(16) 0.5827(2) 0.0271(8) Uani 1 1 d . . .
H30 H 0.5200 -0.2179 0.5396 0.033 Uiso 1 1 calc R . .
C31 C 0.51046(17) -0.12842(16) 0.5682(3) 0.0284(8) Uani 1 1 d . . .
H31 H 0.5119 -0.1086 0.5131 0.034 Uiso 1 1 calc R . .
C32 C 0.50437(16) -0.14592(14) 0.7044(2) 0.0210(7) Uani 1 1 d . . .
H2N H 0.043(2) 0.0513(18) 0.353(3) 0.036(12) Uiso 1 1 d . . .
H6N H 0.454(3) -0.019(3) 0.649(5) 0.11(3) Uiso 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.02084(17) 0.01790(15) 0.02951(16) -0.00633(12) 0.01072(12) -0.00272(11)
Ru2 0.0256(2) 0.01410(19) 0.0263(2) 0.000 0.01295(17) 0.000
Ru3 0.0195(2) 0.0144(2) 0.0257(2) 0.000 0.00373(16) 0.000
O1 0.0265(14) 0.0196(12) 0.0339(13) -0.0058(11) 0.0089(11) -0.0028(10)
O2 0.0228(14) 0.0278(13) 0.0319(13) -0.0075(11) 0.0106(11) 0.0033(10)
O3 0.0248(14) 0.0266(13) 0.0364(14) -0.0028(11) 0.0149(11) -0.0031(11)
O4 0.0250(14) 0.0228(13) 0.0351(13) -0.0084(11) 0.0097(11) -0.0010(10)
O5 0.0292(14) 0.0210(12) 0.0287(13) 0.0039(10) 0.0152(11) 0.0000(10)
O6 0.0372(15) 0.0152(12) 0.0290(13) 0.0035(10) 0.0152(11) 0.0047(10)
O7 0.0267(14) 0.0192(12) 0.0286(13) 0.0025(10) 0.0037(11) 0.0057(10)
O8 0.0212(13) 0.0196(13) 0.0306(13) 0.0002(10) 0.0031(10) -0.0044(10)
N1 0.0236(17) 0.0206(15) 0.0272(15) -0.0043(12) 0.0083(13) -0.0005(12)
N2 0.0216(18) 0.0278(17) 0.0326(17) 0.0006(14) 0.0119(14) 0.0014(13)
N3 0.0222(16) 0.0206(15) 0.0266(15) -0.0052(12) 0.0095(13) -0.0041(11)
N4 0.0240(17) 0.0310(17) 0.0299(16) 0.0002(14) 0.0049(13) -0.0043(13)
N5 0.0244(16) 0.0183(14) 0.0231(15) 0.0001(12) 0.0107(12) 0.0011(11)
N6 0.0279(18) 0.0210(17) 0.0309(17) -0.0032(14) 0.0079(14) 0.0001(13)
N7 0.0210(16) 0.0187(14) 0.0269(15) 0.0012(12) 0.0058(12) 0.0013(11)
N8 0.0248(16) 0.0206(15) 0.0267(15) 0.0037(12) 0.0069(13) 0.0008(12)
C1 0.052(3) 0.023(2) 0.037(2) -0.0107(17) 0.0092(19) -0.0002(17)
C2 0.038(2) 0.0165(17) 0.0281(19) -0.0008(15) 0.0160(17) -0.0028(15)
C3 0.038(2) 0.0197(18) 0.0275(19) -0.0024(15) 0.0158(17) 0.0041(15)
C4 0.026(2) 0.0267(19) 0.0275(18) -0.0016(15) 0.0161(16) 0.0003(14)
C5 0.033(2) 0.038(2) 0.033(2) -0.0073(18) 0.0113(17) 0.0102(17)
C6 0.032(2) 0.042(2) 0.043(2) 0.0011(19) 0.0169(19) -0.0057(17)
C7 0.0160(18) 0.0244(19) 0.039(2) 0.0057(16) 0.0079(15) 0.0011(14)
C8 0.023(2) 0.0201(18) 0.049(2) 0.0010(17) 0.0077(17) -0.0046(14)
C9 0.0194(18) 0.0169(17) 0.038(2) -0.0019(16) -0.0018(15) 0.0028(14)
C10 0.040(3) 0.026(2) 0.054(3) -0.0129(19) 0.006(2) -0.0015(17)
C11 0.031(2) 0.0242(19) 0.0288(18) -0.0001(16) 0.0075(16) 0.0061(15)
C12 0.033(2) 0.028(2) 0.0302(19) 0.0025(16) 0.0134(17) 0.0010(16)
C13 0.0234(19) 0.0224(17) 0.0278(18) -0.0057(15) 0.0102(15) -0.0030(14)
C14 0.025(2) 0.0209(17) 0.0273(18) -0.0029(15) 0.0081(16) -0.0045(14)
C15 0.033(2) 0.031(2) 0.0261(19) 0.0013(16) 0.0043(16) -0.0019(16)
C16 0.033(2) 0.0264(19) 0.0269(19) -0.0034(15) 0.0109(16) -0.0063(15)
C17 0.036(2) 0.043(2) 0.046(2) 0.001(2) 0.025(2) 0.0027(18)
C18 0.026(2) 0.0222(19) 0.0309(19) -0.0034(15) 0.0125(16) -0.0046(14)
C19 0.025(2) 0.0254(19) 0.035(2) -0.0049(16) 0.0108(16) 0.0026(15)
C20 0.032(2) 0.0164(17) 0.0290(19) -0.0064(15) 0.0068(16) -0.0036(14)
C21 0.049(3) 0.025(2) 0.033(2) -0.0002(17) 0.0086(19) 0.0104(17)
C22 0.029(2) 0.029(2) 0.0216(17) 0.0036(15) 0.0091(15) 0.0073(15)
C23 0.030(2) 0.030(2) 0.0281(18) -0.0062(17) 0.0080(16) -0.0007(16)
C24 0.0223(18) 0.0168(16) 0.0261(17) -0.0001(14) 0.0120(14) -0.0003(13)
C25 0.040(3) 0.034(2) 0.047(2) -0.0033(19) 0.004(2) 0.0179(18)
C26 0.031(2) 0.0208(18) 0.0304(19) 0.0059(15) 0.0084(16) 0.0044(15)
C27 0.028(2) 0.028(2) 0.034(2) 0.0045(17) 0.0076(16) 0.0078(15)
C28 0.0240(19) 0.0252(19) 0.0293(19) 0.0079(15) 0.0088(15) 0.0023(15)
C29 0.025(2) 0.051(3) 0.039(2) 0.002(2) 0.0013(18) 0.0026(18)
C30 0.024(2) 0.0288(19) 0.0277(19) -0.0028(16) 0.0063(15) 0.0042(15)
C31 0.027(2) 0.029(2) 0.0311(19) 0.0026(16) 0.0122(16) 0.0020(15)
C32 0.0179(17) 0.0176(16) 0.0274(18) 0.0024(15) 0.0067(14) 0.0001(13)

_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 O4 2.000(2) . ?
Ru1 O1 2.005(2) . ?
Ru1 O3 2.009(2) . ?
Ru1 O2 2.012(2) . ?
Ru1 N3 2.024(3) . ?
Ru1 N1 2.059(3) . ?
Ru2 O5 1.995(2) . ?
Ru2 O5 1.995(2) 2_656 ?
Ru2 O6 2.011(2) 2_656 ?
Ru2 O6 2.011(2) . ?
Ru2 N5 2.043(3) . ?
Ru2 N5 2.043(3) 2_656 ?
Ru3 O8 1.997(2) 2_656 ?
Ru3 O8 1.997(2) . ?
Ru3 O7 2.014(2) . ?
Ru3 O7 2.014(2) 2_656 ?
Ru3 N7 2.047(3) 2_656 ?
Ru3 N7 2.047(3) . ?
O1 C2 1.293(4) . ?
O2 C4 1.282(4) . ?
O3 C7 1.267(4) . ?
O4 C9 1.290(4) . ?
O5 C18 1.288(4) . ?
O6 C20 1.273(4) . ?
O7 C26 1.283(4) . ?
O8 C28 1.287(4) . ?
N1 C13 1.335(5) . ?
N1 C11 1.377(4) . ?
N2 C13 1.337(4) . ?
N2 C12 1.367(5) . ?
N2 H2N 0.81(4) . ?
N3 C14 1.355(4) . ?
N3 C16 1.362(5) . ?
N4 C14 1.328(5) . ?
N4 C15 1.374(5) . ?
N5 C24 1.345(4) . ?
N5 C22 1.361(5) . ?
N6 C24 1.330(5) . ?
N6 C23 1.368(5) . ?
N6 H6N 0.76(7) . ?
N7 C32 1.341(4) . ?
N7 C30 1.369(4) . ?
N8 C32 1.334(4) . ?
N8 C31 1.381(4) . ?
C1 C2 1.507(5) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.373(5) . ?
C3 C4 1.400(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.481(5) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.501(5) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.397(5) . ?
C8 C9 1.384(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.496(5) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.354(5) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.431(5) . ?
C15 C16 1.373(5) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.496(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.377(5) . ?
C19 C20 1.402(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.500(5) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.365(5) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C24 1.449(7) 2_656 ?
C25 C26 1.495(5) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.396(5) . ?
C27 C28 1.384(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.498(5) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.363(5) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C32 1.445(6) 2_656 ?

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
O4 Ru1 O1 179.26(10) . . ?
O4 Ru1 O3 92.96(10) . . ?
O1 Ru1 O3 86.69(10) . . ?
O4 Ru1 O2 87.98(10) . . ?
O1 Ru1 O2 91.37(10) . . ?
O3 Ru1 O2 90.77(10) . . ?
O4 Ru1 N3 91.21(10) . . ?
O1 Ru1 N3 89.46(11) . . ?
O3 Ru1 N3 93.41(10) . . ?
O2 Ru1 N3 175.78(10) . . ?
O4 Ru1 N1 87.48(10) . . ?
O1 Ru1 N1 92.95(10) . . ?
O3 Ru1 N1 172.77(11) . . ?
O2 Ru1 N1 96.46(11) . . ?
N3 Ru1 N1 79.36(11) . . ?
O5 Ru2 O5 178.48(13) . 2_656 ?
O5 Ru2 O6 86.83(10) . 2_656 ?
O5 Ru2 O6 92.13(9) 2_656 2_656 ?
O5 Ru2 O6 92.13(9) . . ?
O5 Ru2 O6 86.83(10) 2_656 . ?
O6 Ru2 O6 92.96(14) 2_656 . ?
O5 Ru2 N5 91.09(10) . . ?
O5 Ru2 N5 90.08(10) 2_656 . ?
O6 Ru2 N5 172.79(10) 2_656 . ?
O6 Ru2 N5 94.02(10) . . ?
O5 Ru2 N5 90.08(10) . 2_656 ?
O5 Ru2 N5 91.09(10) 2_656 2_656 ?
O6 Ru2 N5 94.02(10) 2_656 2_656 ?
O6 Ru2 N5 172.79(10) . 2_656 ?
N5 Ru2 N5 79.07(16) . 2_656 ?
O8 Ru3 O8 179.31(13) 2_656 . ?
O8 Ru3 O7 87.35(9) 2_656 . ?
O8 Ru3 O7 92.15(9) . . ?
O8 Ru3 O7 92.14(10) 2_656 2_656 ?
O8 Ru3 O7 87.35(9) . 2_656 ?
O7 Ru3 O7 87.17(13) . 2_656 ?
O8 Ru3 N7 93.76(10) 2_656 2_656 ?
O8 Ru3 N7 86.77(10) . 2_656 ?
O7 Ru3 N7 175.71(10) . 2_656 ?
O7 Ru3 N7 96.92(10) 2_656 2_656 ?
O8 Ru3 N7 86.77(10) 2_656 . ?
O8 Ru3 N7 93.76(10) . . ?
O7 Ru3 N7 96.92(10) . . ?
O7 Ru3 N7 175.71(10) 2_656 . ?
N7 Ru3 N7 79.01(15) 2_656 . ?
C2 O1 Ru1 122.3(2) . . ?
C4 O2 Ru1 123.9(2) . . ?
C7 O3 Ru1 124.2(2) . . ?
C9 O4 Ru1 123.1(2) . . ?
C18 O5 Ru2 123.2(2) . . ?
C20 O6 Ru2 125.0(2) . . ?
C26 O7 Ru3 122.6(2) . . ?
C28 O8 Ru3 122.2(2) . . ?
C13 N1 C11 106.5(3) . . ?
C13 N1 Ru1 113.2(2) . . ?
C11 N1 Ru1 139.7(2) . . ?
C13 N2 C12 107.4(3) . . ?
C13 N2 H2N 123(3) . . ?
C12 N2 H2N 127(3) . . ?
C14 N3 C16 104.7(3) . . ?
C14 N3 Ru1 115.5(2) . . ?
C16 N3 Ru1 139.8(2) . . ?
C14 N4 C15 103.4(3) . . ?
C24 N5 C22 105.2(3) . . ?
C24 N5 Ru2 115.1(2) . . ?
C22 N5 Ru2 139.6(2) . . ?
C24 N6 C23 104.8(3) . . ?
C24 N6 H6N 131(6) . . ?
C23 N6 H6N 121(5) . . ?
C32 N7 C30 104.6(3) . . ?
C32 N7 Ru3 114.8(2) . . ?
C30 N7 Ru3 139.7(2) . . ?
C32 N8 C31 103.8(3) . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 126.5(3) . . ?
O1 C2 C1 113.6(3) . . ?
C3 C2 C1 119.8(3) . . ?
C2 C3 C4 126.5(3) . . ?
C2 C3 H3 116.7 . . ?
C4 C3 H3 116.7 . . ?
O2 C4 C3 124.6(4) . . ?
O2 C4 C5 115.6(3) . . ?
C3 C4 C5 119.7(3) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O3 C7 C8 125.4(3) . . ?
O3 C7 C6 114.8(3) . . ?
C8 C7 C6 119.8(3) . . ?
C9 C8 C7 127.2(3) . . ?
C9 C8 H8 116.4 . . ?
C7 C8 H8 116.4 . . ?
O4 C9 C8 125.9(3) . . ?
O4 C9 C10 114.5(3) . . ?
C8 C9 C10 119.5(3) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 N1 108.2(3) . . ?
C12 C11 H11 125.9 . . ?
N1 C11 H11 125.9 . . ?
C11 C12 N2 107.4(3) . . ?
C11 C12 H12 126.3 . . ?
N2 C12 H12 126.3 . . ?
N1 C13 N2 110.5(3) . . ?
N1 C13 C14 117.6(3) . . ?
N2 C13 C14 131.8(3) . . ?
N4 C14 N3 114.3(3) . . ?
N4 C14 C13 131.5(3) . . ?
N3 C14 C13 114.2(3) . . ?
C16 C15 N4 110.0(3) . . ?
C16 C15 H15 125.0 . . ?
N4 C15 H15 125.0 . . ?
N3 C16 C15 107.6(3) . . ?
N3 C16 H16 126.2 . . ?
C15 C16 H16 126.2 . . ?
C18 C17 H17A 109.5 . . ?
C18 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C18 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O5 C18 C19 126.4(3) . . ?
O5 C18 C17 113.8(3) . . ?
C19 C18 C17 119.8(3) . . ?
C18 C19 C20 126.8(3) . . ?
C18 C19 H19 116.6 . . ?
C20 C19 H19 116.6 . . ?
O6 C20 C19 124.5(3) . . ?
O6 C20 C21 114.8(3) . . ?
C19 C20 C21 120.7(3) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N5 C22 C23 108.1(3) . . ?
N5 C22 H22 126.0 . . ?
C23 C22 H22 126.0 . . ?
C22 C23 N6 108.9(3) . . ?
C22 C23 H23 125.6 . . ?
N6 C23 H23 125.6 . . ?
N6 C24 N5 113.0(3) . . ?
N6 C24 C24 131.7(2) . 2_656 ?
N5 C24 C24 115.33(19) . 2_656 ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O7 C26 C27 125.0(3) . . ?
O7 C26 C25 115.6(3) . . ?
C27 C26 C25 119.3(3) . . ?
C28 C27 C26 126.6(3) . . ?
C28 C27 H27 116.7 . . ?
C26 C27 H27 116.7 . . ?
O8 C28 C27 126.3(3) . . ?
O8 C28 C29 113.6(3) . . ?
C27 C28 C29 120.0(3) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 N7 108.4(3) . . ?
C31 C30 H30 125.8 . . ?
N7 C30 H30 125.8 . . ?
C30 C31 N8 109.1(3) . . ?
C30 C31 H31 125.5 . . ?
N8 C31 H31 125.5 . . ?
N8 C32 N7 114.2(3) . . ?
N8 C32 C32 130.23(18) . 2_656 ?
N7 C32 C32 115.52(18) . 2_656 ?

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
O4 Ru1 O1 C2 7(8) . . . . ?
O3 Ru1 O1 C2 69.0(3) . . . . ?
O2 Ru1 O1 C2 -21.7(3) . . . . ?
N3 Ru1 O1 C2 162.4(3) . . . . ?
N1 Ru1 O1 C2 -118.3(3) . . . . ?
O4 Ru1 O2 C4 -158.6(3) . . . . ?
O1 Ru1 O2 C4 21.1(3) . . . . ?
O3 Ru1 O2 C4 -65.6(3) . . . . ?
N3 Ru1 O2 C4 122.4(13) . . . . ?
N1 Ru1 O2 C4 114.2(3) . . . . ?
O4 Ru1 O3 C7 8.1(3) . . . . ?
O1 Ru1 O3 C7 -171.2(3) . . . . ?
O2 Ru1 O3 C7 -79.9(3) . . . . ?
N3 Ru1 O3 C7 99.5(3) . . . . ?
N1 Ru1 O3 C7 101.4(8) . . . . ?
O1 Ru1 O4 C9 50(8) . . . . ?
O3 Ru1 O4 C9 -11.6(3) . . . . ?
O2 Ru1 O4 C9 79.0(3) . . . . ?
N3 Ru1 O4 C9 -105.1(3) . . . . ?
N1 Ru1 O4 C9 175.6(3) . . . . ?
O5 Ru2 O5 C18 31.8(3) 2_656 . . . ?
O6 Ru2 O5 C18 78.3(3) 2_656 . . . ?
O6 Ru2 O5 C18 -14.6(3) . . . . ?
N5 Ru2 O5 C18 -108.6(3) . . . . ?
N5 Ru2 O5 C18 172.3(3) 2_656 . . . ?
O5 Ru2 O6 C20 10.3(3) . . . . ?
O5 Ru2 O6 C20 -168.6(3) 2_656 . . . ?
O6 Ru2 O6 C20 -76.6(3) 2_656 . . . ?
N5 Ru2 O6 C20 101.6(3) . . . . ?
N5 Ru2 O6 C20 118.0(8) 2_656 . . . ?
O8 Ru3 O7 C26 -157.2(3) 2_656 . . . ?
O8 Ru3 O7 C26 22.3(3) . . . . ?
O7 Ru3 O7 C26 -64.9(2) 2_656 . . . ?
N7 Ru3 O7 C26 97.6(14) 2_656 . . . ?
N7 Ru3 O7 C26 116.4(3) . . . . ?
O8 Ru3 O8 C28 22.4(2) 2_656 . . . ?
O7 Ru3 O8 C28 -21.1(2) . . . . ?
O7 Ru3 O8 C28 66.0(2) 2_656 . . . ?
N7 Ru3 O8 C28 163.1(2) 2_656 . . . ?
N7 Ru3 O8 C28 -118.2(2) . . . . ?
O4 Ru1 N1 C13 91.0(2) . . . . ?
O1 Ru1 N1 C13 -89.6(2) . . . . ?
O3 Ru1 N1 C13 -2.6(9) . . . . ?
O2 Ru1 N1 C13 178.7(2) . . . . ?
N3 Ru1 N1 C13 -0.7(2) . . . . ?
O4 Ru1 N1 C11 -78.8(4) . . . . ?
O1 Ru1 N1 C11 100.6(4) . . . . ?
O3 Ru1 N1 C11 -172.5(7) . . . . ?
O2 Ru1 N1 C11 8.9(4) . . . . ?
N3 Ru1 N1 C11 -170.5(4) . . . . ?
O4 Ru1 N3 C14 -88.5(2) . . . . ?
O1 Ru1 N3 C14 91.8(2) . . . . ?
O3 Ru1 N3 C14 178.5(2) . . . . ?
O2 Ru1 N3 C14 -9.5(15) . . . . ?
N1 Ru1 N3 C14 -1.3(2) . . . . ?
O4 Ru1 N3 C16 95.2(4) . . . . ?
O1 Ru1 N3 C16 -84.4(4) . . . . ?
O3 Ru1 N3 C16 2.2(4) . . . . ?
O2 Ru1 N3 C16 174.2(12) . . . . ?
N1 Ru1 N3 C16 -177.5(4) . . . . ?
O5 Ru2 N5 C24 -90.7(2) . . . . ?
O5 Ru2 N5 C24 90.2(2) 2_656 . . . ?
O6 Ru2 N5 C24 -17.6(9) 2_656 . . . ?
O6 Ru2 N5 C24 177.0(2) . . . . ?
N5 Ru2 N5 C24 -0.88(16) 2_656 . . . ?
O5 Ru2 N5 C22 93.0(3) . . . . ?
O5 Ru2 N5 C22 -86.1(3) 2_656 . . . ?
O6 Ru2 N5 C22 166.1(6) 2_656 . . . ?
O6 Ru2 N5 C22 0.7(3) . . . . ?
N5 Ru2 N5 C22 -177.2(4) 2_656 . . . ?
O8 Ru3 N7 C32 92.5(2) 2_656 . . . ?
O8 Ru3 N7 C32 -88.0(2) . . . . ?
O7 Ru3 N7 C32 179.4(2) . . . . ?
O7 Ru3 N7 C32 17.0(16) 2_656 . . . ?
N7 Ru3 N7 C32 -1.99(17) 2_656 . . . ?
O8 Ru3 N7 C30 -74.3(4) 2_656 . . . ?
O8 Ru3 N7 C30 105.3(4) . . . . ?
O7 Ru3 N7 C30 12.7(4) . . . . ?
O7 Ru3 N7 C30 -149.7(13) 2_656 . . . ?
N7 Ru3 N7 C30 -168.7(4) 2_656 . . . ?
Ru1 O1 C2 C3 14.3(5) . . . . ?
Ru1 O1 C2 C1 -168.5(2) . . . . ?
O1 C2 C3 C4 3.1(6) . . . . ?
C1 C2 C3 C4 -174.0(3) . . . . ?
Ru1 O2 C4 C3 -12.2(5) . . . . ?
Ru1 O2 C4 C5 171.2(2) . . . . ?
C2 C3 C4 O2 -4.3(6) . . . . ?
C2 C3 C4 C5 172.1(3) . . . . ?
Ru1 O3 C7 C8 -1.5(5) . . . . ?
Ru1 O3 C7 C6 179.5(2) . . . . ?
O3 C7 C8 C9 -5.7(6) . . . . ?
C6 C7 C8 C9 173.2(4) . . . . ?
Ru1 O4 C9 C8 9.1(5) . . . . ?
Ru1 O4 C9 C10 -174.0(2) . . . . ?
C7 C8 C9 O4 1.4(6) . . . . ?
C7 C8 C9 C10 -175.5(4) . . . . ?
C13 N1 C11 C12 0.4(4) . . . . ?
Ru1 N1 C11 C12 170.7(3) . . . . ?
N1 C11 C12 N2 -0.3(4) . . . . ?
C13 N2 C12 C11 0.1(4) . . . . ?
C11 N1 C13 N2 -0.3(4) . . . . ?
Ru1 N1 C13 N2 -173.5(2) . . . . ?
C11 N1 C13 C14 175.7(3) . . . . ?
Ru1 N1 C13 C14 2.5(4) . . . . ?
C12 N2 C13 N1 0.1(4) . . . . ?
C12 N2 C13 C14 -175.1(4) . . . . ?
C15 N4 C14 N3 -1.6(4) . . . . ?
C15 N4 C14 C13 179.1(4) . . . . ?
C16 N3 C14 N4 1.0(4) . . . . ?
Ru1 N3 C14 N4 -176.5(2) . . . . ?
C16 N3 C14 C13 -179.6(3) . . . . ?
Ru1 N3 C14 C13 2.9(4) . . . . ?
N1 C13 C14 N4 175.7(3) . . . . ?
N2 C13 C14 N4 -9.4(7) . . . . ?
N1 C13 C14 N3 -3.6(4) . . . . ?
N2 C13 C14 N3 171.3(3) . . . . ?
C14 N4 C15 C16 1.6(4) . . . . ?
C14 N3 C16 C15 0.1(4) . . . . ?
Ru1 N3 C16 C15 176.6(3) . . . . ?
N4 C15 C16 N3 -1.1(4) . . . . ?
Ru2 O5 C18 C19 12.0(5) . . . . ?
Ru2 O5 C18 C17 -170.2(2) . . . . ?
O5 C18 C19 C20 0.5(6) . . . . ?
C17 C18 C19 C20 -177.2(4) . . . . ?
Ru2 O6 C20 C19 -2.6(5) . . . . ?
Ru2 O6 C20 C21 -179.9(2) . . . . ?
C18 C19 C20 O6 -5.8(6) . . . . ?
C18 C19 C20 C21 171.3(4) . . . . ?
C24 N5 C22 C23 0.1(4) . . . . ?
Ru2 N5 C22 C23 176.6(2) . . . . ?
N5 C22 C23 N6 -0.7(4) . . . . ?
C24 N6 C23 C22 1.1(4) . . . . ?
C23 N6 C24 N5 -1.1(4) . . . . ?
C23 N6 C24 C24 179.8(5) . . . 2_656 ?
C22 N5 C24 N6 0.6(4) . . . . ?
Ru2 N5 C24 N6 -176.9(2) . . . . ?
C22 N5 C24 C24 179.9(4) . . . 2_656 ?
Ru2 N5 C24 C24 2.4(4) . . . 2_656 ?
Ru3 O7 C26 C27 -13.9(5) . . . . ?
Ru3 O7 C26 C25 168.8(2) . . . . ?
O7 C26 C27 C28 -4.4(6) . . . . ?
C25 C26 C27 C28 172.9(4) . . . . ?
Ru3 O8 C28 C27 11.6(5) . . . . ?
Ru3 O8 C28 C29 -170.6(2) . . . . ?
C26 C27 C28 O8 5.8(6) . . . . ?
C26 C27 C28 C29 -171.9(4) . . . . ?
C32 N7 C30 C31 0.4(4) . . . . ?
Ru3 N7 C30 C31 168.0(3) . . . . ?
N7 C30 C31 N8 -0.4(4) . . . . ?
C32 N8 C31 C30 0.3(4) . . . . ?
C31 N8 C32 N7 -0.1(4) . . . . ?
C31 N8 C32 C32 -176.3(5) . . . 2_656 ?
C30 N7 C32 N8 -0.2(4) . . . . ?
Ru3 N7 C32 N8 -171.4(2) . . . . ?
C30 N7 C32 C32 176.6(4) . . . 2_656 ?
Ru3 N7 C32 C32 5.4(5) . . . 2_656 ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.785
_refine_diff_density_min         -0.480
_refine_diff_density_rms         0.094

# Attachment '2.cif'

data_for_2
_database_code_depnum_ccdc_archive 'CCDC 747925'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H20 Cl N4 O9 Ru'
_chemical_formula_weight         548.88

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C 2/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                   31.457(3)
_cell_length_b                   6.1523(2)
_cell_length_c                   26.643(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 125.435(12)
_cell_angle_gamma                90.00
_cell_volume                     4201.2(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    4251
_cell_measurement_theta_min      3.3958
_cell_measurement_theta_max      32.6513

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.736
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2216
_exptl_absorpt_coefficient_mu    0.930
_exptl_absorpt_correction_T_min  0.7807
_exptl_absorpt_correction_T_max  0.8431
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'OXFORD DIFFRACTION XCALIBUR-S'
_diffrn_measurement_method       \w/q-scan
_diffrn_detector_area_resol_mean 15.9948
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14545
_diffrn_reflns_av_R_equivalents  0.0938
_diffrn_reflns_av_sigmaI/netI    0.0908
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         3.41
_diffrn_reflns_theta_max         25.00
_reflns_number_total             3688
_reflns_number_gt                2853
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97

_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^)+(0.0767P)^2^+78.9527P] 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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3688
_refine_ls_number_parameters     288
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.1268
_refine_ls_R_factor_gt           0.0936
_refine_ls_wR_factor_ref         0.2043
_refine_ls_wR_factor_gt          0.1903
_refine_ls_goodness_of_fit_ref   1.173
_refine_ls_restrained_S_all      1.166
_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 0.90215(3) 0.19894(14) 0.03870(4) 0.0199(3) Uani 1 1 d . . .
Cl1 Cl 0.69619(10) 0.3253(4) -0.23814(12) 0.0281(6) Uani 1 1 d . . .
O1 O 0.9580(2) 0.0245(10) 0.0428(3) 0.0189(15) Uani 1 1 d . . .
O2 O 0.9552(3) 0.3991(13) 0.1077(3) 0.0301(18) Uani 1 1 d . . .
O3 O 0.9108(3) -0.0040(11) 0.1042(3) 0.0226(16) Uani 1 1 d . . .
O4 O 0.8453(3) 0.3671(12) 0.0332(3) 0.0262(17) Uani 1 1 d . . .
N1 N 0.8910(3) 0.3788(13) -0.0336(4) 0.0194(19) Uani 1 1 d . . .
N2 N 0.8502(3) 0.4272(14) -0.1328(4) 0.022(2) Uani 1 1 d . . .
N3 N 0.8473(3) 0.0136(12) -0.0352(4) 0.0175(17) Uani 1 1 d DU . .
N4 N 0.7939(3) -0.0263(13) -0.1347(4) 0.0232(19) Uani 1 1 d DU . .
H4N H 0.7770 -0.0019 -0.1745 0.028 Uiso 1 1 calc R . .
C1 C 1.0400(4) -0.1419(18) 0.0905(6) 0.036(3) Uani 1 1 d . . .
H1A H 1.0260 -0.2878 0.0869 0.054 Uiso 1 1 calc R . .
H1B H 1.0754 -0.1321 0.1285 0.054 Uiso 1 1 calc R . .
H1C H 1.0411 -0.1138 0.0550 0.054 Uiso 1 1 calc R . .
C2 C 1.0062(4) 0.0215(17) 0.0920(5) 0.021(2) Uani 1 1 d . . .
C3 C 1.0270(4) 0.1607(18) 0.1416(5) 0.028(3) Uani 1 1 d . . .
H3 H 1.0615 0.1291 0.1761 0.034 Uiso 1 1 calc R . .
C4 C 1.0032(4) 0.3439(18) 0.1470(5) 0.030(3) Uani 1 1 d . . .
C5 C 1.0336(5) 0.498(2) 0.1988(6) 0.039(3) Uani 1 1 d . . .
H5A H 1.0170 0.6413 0.1864 0.058 Uiso 1 1 calc R . .
H5B H 1.0692 0.5084 0.2101 0.058 Uiso 1 1 calc R . .
H5C H 1.0346 0.4456 0.2343 0.058 Uiso 1 1 calc R . .
C6 C 0.9093(6) -0.115(3) 0.1865(7) 0.060(4) Uani 1 1 d . . .
H6A H 0.9013 -0.2651 0.1715 0.091 Uiso 1 1 calc R . .
H6B H 0.8906 -0.0783 0.2046 0.091 Uiso 1 1 calc R . .
H6C H 0.9469 -0.1001 0.2179 0.091 Uiso 1 1 calc R . .
C7 C 0.8929(4) 0.034(2) 0.1347(5) 0.036(3) Uani 1 1 d . . .
C8 C 0.8580(5) 0.201(2) 0.1231(6) 0.050(4) Uani 1 1 d . . .
H8 H 0.8484 0.2137 0.1508 0.060 Uiso 1 1 calc R . .
C9 C 0.8357(4) 0.3550(19) 0.0742(6) 0.036(3) Uani 1 1 d . . .
C10 C 0.7951(6) 0.500(3) 0.0658(8) 0.073(5) Uani 1 1 d . . .
H10A H 0.8065 0.6516 0.0701 0.110 Uiso 1 1 calc R . .
H10B H 0.7889 0.4682 0.0971 0.110 Uiso 1 1 calc R . .
H10C H 0.7628 0.4783 0.0247 0.110 Uiso 1 1 calc R . .
C11 C 0.9092(4) 0.5648(16) -0.0424(5) 0.022(2) Uani 1 1 d . . .
H11 H 0.9346 0.6593 -0.0110 0.026 Uiso 1 1 calc R . .
C12 C 0.8850(4) 0.5926(17) -0.1039(6) 0.029(3) Uani 1 1 d . . .
H12 H 0.8912 0.7061 -0.1231 0.035 Uiso 1 1 calc R . .
C13 C 0.8550(4) 0.2999(19) -0.0887(5) 0.027(2) Uani 1 1 d . . .
C14 C 0.8305(4) 0.1005(16) -0.0899(4) 0.019(2) Uani 1 1 d DU . .
C15 C 0.7870(4) -0.2028(17) -0.1082(5) 0.028(2) Uani 1 1 d DU . .
H15 H 0.7640 -0.3218 -0.1290 0.034 Uiso 1 1 calc R . .
C16 C 0.8197(4) -0.1724(16) -0.0467(5) 0.026(2) Uani 1 1 d DU . .
H16 H 0.8228 -0.2657 -0.0163 0.031 Uiso 1 1 calc R . .
O101 O 0.8982(5) -0.2332(17) 0.0404(6) 0.133(7) Uani 1 1 d . . .
O111 O 0.7405(3) 0.2951(14) -0.2417(4) 0.0383(19) Uani 1 1 d . . .
O222 O 0.6631(3) 0.4907(12) -0.2811(4) 0.039(2) Uani 1 1 d . . .
O333 O 0.6688(3) 0.1238(14) -0.2533(4) 0.045(2) Uani 1 1 d . . .
O444 O 0.7145(3) 0.3843(14) -0.1772(4) 0.042(2) Uani 1 1 d . . .
H2N H 0.833(4) 0.425(14) -0.170(5) 0.00(2) Uiso 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.0199(4) 0.0213(4) 0.0197(5) 0.0018(4) 0.0123(3) 0.0036(4)
Cl1 0.0275(13) 0.0259(14) 0.0299(15) -0.0026(12) 0.0160(12) -0.0044(11)
O1 0.014(3) 0.025(4) 0.019(4) 0.001(3) 0.010(3) 0.006(3)
O2 0.024(4) 0.040(4) 0.023(4) -0.005(3) 0.012(4) -0.003(3)
O3 0.028(4) 0.024(4) 0.014(4) 0.004(3) 0.012(3) 0.008(3)
O4 0.023(4) 0.036(4) 0.030(4) 0.006(3) 0.021(4) 0.006(3)
N1 0.015(4) 0.018(4) 0.023(5) 0.000(3) 0.010(4) 0.003(3)
N2 0.025(5) 0.030(5) 0.010(5) 0.002(4) 0.009(4) 0.004(4)
N3 0.022(4) 0.010(4) 0.020(4) 0.005(3) 0.012(4) 0.004(3)
N4 0.018(4) 0.019(4) 0.021(4) 0.000(3) 0.005(4) 0.005(3)
C1 0.032(6) 0.034(7) 0.035(7) -0.004(5) 0.014(6) 0.007(5)
C2 0.021(5) 0.032(6) 0.015(5) 0.007(4) 0.014(5) 0.005(4)
C3 0.018(5) 0.042(7) 0.019(6) 0.007(5) 0.007(5) 0.005(5)
C4 0.027(6) 0.036(7) 0.027(6) 0.002(5) 0.016(5) -0.002(5)
C5 0.035(7) 0.043(7) 0.045(8) -0.012(6) 0.027(6) -0.002(6)
C6 0.056(9) 0.091(11) 0.053(10) 0.026(8) 0.043(8) 0.008(8)
C7 0.028(6) 0.056(8) 0.022(6) 0.010(6) 0.013(6) 0.005(6)
C8 0.048(8) 0.081(10) 0.043(8) 0.014(8) 0.038(7) 0.028(8)
C9 0.033(6) 0.045(8) 0.041(7) 0.013(6) 0.028(6) 0.015(5)
C10 0.080(11) 0.103(13) 0.076(12) 0.024(10) 0.068(10) 0.043(10)
C11 0.019(5) 0.020(5) 0.027(6) 0.002(4) 0.014(5) -0.001(4)
C12 0.031(6) 0.020(5) 0.050(8) 0.010(5) 0.031(6) 0.002(5)
C13 0.017(5) 0.039(6) 0.020(6) -0.009(5) 0.009(5) 0.003(5)
C14 0.018(5) 0.019(5) 0.015(5) -0.001(4) 0.006(4) 0.003(4)
C15 0.030(5) 0.016(4) 0.045(6) -0.012(5) 0.025(5) 0.005(4)
C16 0.022(5) 0.018(5) 0.042(5) 0.004(4) 0.022(5) 0.006(4)
O101 0.125(11) 0.037(6) 0.072(9) -0.018(6) -0.038(8) 0.000(7)
O111 0.032(4) 0.052(5) 0.029(4) 0.007(4) 0.016(4) 0.011(4)
O222 0.035(4) 0.033(4) 0.046(5) 0.013(4) 0.022(4) 0.012(4)
O333 0.059(6) 0.039(5) 0.041(5) -0.007(4) 0.031(5) -0.009(4)
O444 0.046(5) 0.051(5) 0.035(5) -0.017(4) 0.026(4) -0.020(4)

_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 O4 1.998(7) . ?
Ru1 O1 2.007(6) . ?
Ru1 O2 2.030(7) . ?
Ru1 O3 2.032(7) . ?
Ru1 N3 2.053(8) . ?
Ru1 N1 2.066(9) . ?
Cl1 O444 1.419(8) . ?
Cl1 O333 1.428(9) . ?
Cl1 O222 1.430(8) . ?
Cl1 O111 1.462(8) . ?
O1 C2 1.307(12) . ?
O2 C4 1.288(12) . ?
O3 C7 1.249(14) . ?
O4 C9 1.291(13) . ?
N1 C13 1.323(13) . ?
N1 C11 1.361(12) . ?
N2 C13 1.345(14) . ?
N2 C12 1.359(14) . ?
N2 H2N 0.81(9) . ?
N3 C14 1.339(12) . ?
N3 C16 1.361(12) . ?
N4 C14 1.329(12) . ?
N4 C15 1.380(14) . ?
N4 H4N 0.8800 . ?
C1 C2 1.482(14) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.380(15) . ?
C3 C4 1.406(15) . ?
C3 H3 0.9500 . ?
C4 C5 1.479(15) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.479(17) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.404(17) . ?
C8 C9 1.423(17) . ?
C8 H8 0.9500 . ?
C9 C10 1.467(17) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.358(15) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.439(15) . ?
C15 C16 1.351(15) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?

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
O4 Ru1 O1 178.6(3) . . ?
O4 Ru1 O2 89.0(3) . . ?
O1 Ru1 O2 92.3(3) . . ?
O4 Ru1 O3 92.8(3) . . ?
O1 Ru1 O3 87.0(3) . . ?
O2 Ru1 O3 88.0(3) . . ?
O4 Ru1 N3 90.0(3) . . ?
O1 Ru1 N3 88.7(3) . . ?
O2 Ru1 N3 176.1(3) . . ?
O3 Ru1 N3 95.9(3) . . ?
O4 Ru1 N1 89.6(3) . . ?
O1 Ru1 N1 90.4(3) . . ?
O2 Ru1 N1 97.2(3) . . ?
O3 Ru1 N1 174.3(3) . . ?
N3 Ru1 N1 79.0(3) . . ?
O444 Cl1 O333 109.0(5) . . ?
O444 Cl1 O222 110.9(5) . . ?
O333 Cl1 O222 110.6(5) . . ?
O444 Cl1 O111 109.6(5) . . ?
O333 Cl1 O111 108.2(5) . . ?
O222 Cl1 O111 108.5(5) . . ?
C2 O1 Ru1 122.1(6) . . ?
C4 O2 Ru1 122.5(7) . . ?
C7 O3 Ru1 123.9(7) . . ?
C9 O4 Ru1 123.1(7) . . ?
C13 N1 C11 106.9(9) . . ?
C13 N1 Ru1 114.3(7) . . ?
C11 N1 Ru1 138.7(7) . . ?
C13 N2 C12 107.2(9) . . ?
C13 N2 H2N 136(7) . . ?
C12 N2 H2N 117(6) . . ?
C14 N3 C16 107.1(9) . . ?
C14 N3 Ru1 113.8(6) . . ?
C16 N3 Ru1 138.9(7) . . ?
C14 N4 C15 108.2(9) . . ?
C14 N4 H4N 125.9 . . ?
C15 N4 H4N 125.9 . . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 125.6(9) . . ?
O1 C2 C1 114.6(9) . . ?
C3 C2 C1 119.7(9) . . ?
C2 C3 C4 127.5(10) . . ?
C2 C3 H3 116.2 . . ?
C4 C3 H3 116.2 . . ?
O2 C4 C3 124.9(10) . . ?
O2 C4 C5 114.1(10) . . ?
C3 C4 C5 121.0(10) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 H6A 109.5 . . ?
C7 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C7 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
O3 C7 C8 125.7(11) . . ?
O3 C7 C6 116.6(11) . . ?
C8 C7 C6 117.7(12) . . ?
C7 C8 C9 126.6(11) . . ?
C7 C8 H8 116.7 . . ?
C9 C8 H8 116.7 . . ?
O4 C9 C8 125.5(10) . . ?
O4 C9 C10 116.4(11) . . ?
C8 C9 C10 117.9(11) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 N1 108.5(9) . . ?
C12 C11 H11 125.8 . . ?
N1 C11 H11 125.8 . . ?
C11 C12 N2 107.0(9) . . ?
C11 C12 H12 126.5 . . ?
N2 C12 H12 126.5 . . ?
N1 C13 N2 110.2(10) . . ?
N1 C13 C14 116.1(10) . . ?
N2 C13 C14 133.6(9) . . ?
N4 C14 N3 109.5(9) . . ?
N4 C14 C13 133.9(9) . . ?
N3 C14 C13 116.6(9) . . ?
C16 C15 N4 106.2(9) . . ?
C16 C15 H15 126.9 . . ?
N4 C15 H15 126.9 . . ?
C15 C16 N3 109.0(10) . . ?
C15 C16 H16 125.5 . . ?
N3 C16 H16 125.5 . . ?

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
O4 Ru1 O1 C2 -149(12) . . . . ?
O2 Ru1 O1 C2 21.7(7) . . . . ?
O3 Ru1 O1 C2 -66.1(7) . . . . ?
N3 Ru1 O1 C2 -162.1(7) . . . . ?
N1 Ru1 O1 C2 118.9(7) . . . . ?
O4 Ru1 O2 C4 158.2(8) . . . . ?
O1 Ru1 O2 C4 -21.5(8) . . . . ?
O3 Ru1 O2 C4 65.4(8) . . . . ?
N3 Ru1 O2 C4 -127(4) . . . . ?
N1 Ru1 O2 C4 -112.3(8) . . . . ?
O4 Ru1 O3 C7 -15.6(9) . . . . ?
O1 Ru1 O3 C7 165.8(9) . . . . ?
O2 Ru1 O3 C7 73.3(9) . . . . ?
N3 Ru1 O3 C7 -105.9(9) . . . . ?
N1 Ru1 O3 C7 -131(3) . . . . ?
O1 Ru1 O4 C9 98(12) . . . . ?
O2 Ru1 O4 C9 -72.7(9) . . . . ?
O3 Ru1 O4 C9 15.2(9) . . . . ?
N3 Ru1 O4 C9 111.1(9) . . . . ?
N1 Ru1 O4 C9 -169.9(9) . . . . ?
O4 Ru1 N1 C13 -87.3(7) . . . . ?
O1 Ru1 N1 C13 91.3(7) . . . . ?
O2 Ru1 N1 C13 -176.3(7) . . . . ?
O3 Ru1 N1 C13 28(3) . . . . ?
N3 Ru1 N1 C13 2.7(7) . . . . ?
O4 Ru1 N1 C11 90.6(10) . . . . ?
O1 Ru1 N1 C11 -90.8(10) . . . . ?
O2 Ru1 N1 C11 1.6(10) . . . . ?
O3 Ru1 N1 C11 -154(3) . . . . ?
N3 Ru1 N1 C11 -179.4(10) . . . . ?
O4 Ru1 N3 C14 86.3(6) . . . . ?
O1 Ru1 N3 C14 -94.0(6) . . . . ?
O2 Ru1 N3 C14 11(5) . . . . ?
O3 Ru1 N3 C14 179.1(6) . . . . ?
N1 Ru1 N3 C14 -3.3(6) . . . . ?
O4 Ru1 N3 C16 -89.1(10) . . . . ?
O1 Ru1 N3 C16 90.6(9) . . . . ?
O2 Ru1 N3 C16 -164(4) . . . . ?
O3 Ru1 N3 C16 3.7(10) . . . . ?
N1 Ru1 N3 C16 -178.7(10) . . . . ?
Ru1 O1 C2 C3 -12.3(14) . . . . ?
Ru1 O1 C2 C1 170.8(7) . . . . ?
O1 C2 C3 C4 -6.8(18) . . . . ?
C1 C2 C3 C4 170.1(11) . . . . ?
Ru1 O2 C4 C3 11.5(15) . . . . ?
Ru1 O2 C4 C5 -171.3(7) . . . . ?
C2 C3 C4 O2 7.1(19) . . . . ?
C2 C3 C4 C5 -169.8(11) . . . . ?
Ru1 O3 C7 C8 10.0(17) . . . . ?
Ru1 O3 C7 C6 -171.3(9) . . . . ?
O3 C7 C8 C9 2(2) . . . . ?
C6 C7 C8 C9 -177.0(14) . . . . ?
Ru1 O4 C9 C8 -9.8(18) . . . . ?
Ru1 O4 C9 C10 175.8(10) . . . . ?
C7 C8 C9 O4 -2(2) . . . . ?
C7 C8 C9 C10 172.5(14) . . . . ?
C13 N1 C11 C12 -2.3(11) . . . . ?
Ru1 N1 C11 C12 179.7(8) . . . . ?
N1 C11 C12 N2 2.5(11) . . . . ?
C13 N2 C12 C11 -1.7(11) . . . . ?
C11 N1 C13 N2 1.2(11) . . . . ?
Ru1 N1 C13 N2 179.8(6) . . . . ?
C11 N1 C13 C14 179.8(8) . . . . ?
Ru1 N1 C13 C14 -1.7(11) . . . . ?
C12 N2 C13 N1 0.3(11) . . . . ?
C12 N2 C13 C14 -177.9(10) . . . . ?
C15 N4 C14 N3 -0.5(10) . . . . ?
C15 N4 C14 C13 178.1(10) . . . . ?
C16 N3 C14 N4 -0.8(10) . . . . ?
Ru1 N3 C14 N4 -177.7(6) . . . . ?
C16 N3 C14 C13 -179.7(8) . . . . ?
Ru1 N3 C14 C13 3.5(10) . . . . ?
N1 C13 C14 N4 -179.7(10) . . . . ?
N2 C13 C14 N4 -1.6(19) . . . . ?
N1 C13 C14 N3 -1.2(13) . . . . ?
N2 C13 C14 N3 176.9(10) . . . . ?
C14 N4 C15 C16 1.6(10) . . . . ?
N4 C15 C16 N3 -2.1(11) . . . . ?
C14 N3 C16 C15 1.8(10) . . . . ?
Ru1 N3 C16 C15 177.5(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.499
_refine_diff_density_min         -1.271
_refine_diff_density_rms         0.168