Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2007

data_global
_journal_name_full               'Dalton Trans.'

_journal_coden_Cambridge         0222

_publ_contact_author_name        'Peng Cheng'
_publ_contact_author_address     
;
Department of Chemistry
Nankai University
Tianjin
300071
CHINA
;

_publ_contact_author_email       PCHENG@NANKAI.EDU.CN

_publ_section_title              
;
A CNT-like coordination tube with cyano-bridges
;
loop_
_publ_author_name
'Peng Cheng'
'Xiao-Yan Chen'
'Dai-Zheng Liao'
'Wei Shi'
;
Hong-Sheng Wang
;
'Jun Xia'
'Shi-Ping Yan'

data_060705a
_database_code_depnum_ccdc_archive 'CCDC 620222'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H12 Mn N6 O2 Ru'
_chemical_formula_weight         452.31

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'
Mn Mn 0.3368 0.7283 '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           Rhombohedral
_symmetry_space_group_name_H-M   R-3

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   29.884(2)
_cell_length_b                   29.884(2)
_cell_length_c                   9.7853(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     7568.0(12)
_cell_formula_units_Z            18
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    5843
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      26.37

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      NONE
_exptl_crystal_density_diffrn    1.786
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4014
_exptl_absorpt_coefficient_mu    1.668
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.714472
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   SADABS

_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            14299
_diffrn_reflns_av_R_equivalents  0.0351
_diffrn_reflns_av_sigmaI/netI    0.0303
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         1.36
_diffrn_reflns_theta_max         26.38
_reflns_number_total             3446
_reflns_number_gt                2735
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_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^)+(0.0414P)^2^+48.9433P] 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         3446
_refine_ls_number_parameters     229
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0460
_refine_ls_R_factor_gt           0.0302
_refine_ls_wR_factor_ref         0.0879
_refine_ls_wR_factor_gt          0.0781
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_restrained_S_all      0.997
_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 0.489803(12) 0.127278(11) 0.60942(3) 0.02467(10) Uani 1 1 d . A .
Mn1 Mn 0.53444(2) 0.17899(2) 0.12380(6) 0.03163(16) Uani 1 1 d . . .
N1 N 0.48905(14) 0.12508(14) 0.2833(3) 0.0377(8) Uani 1 1 d . A .
N2 N 0.60898(15) 0.17516(16) 0.5673(4) 0.0490(10) Uani 1 1 d . . .
N3 N 0.49888(18) 0.23526(16) 0.5655(4) 0.0540(11) Uani 1 1 d . A .
N4 N 0.50036(15) 0.14287(15) 0.9320(3) 0.0435(9) Uani 1 1 d . . .
N5 N 0.47619(14) 0.05159(13) 0.6387(3) 0.0324(7) Uani 1 1 d . . .
N6 N 0.40823(13) 0.08321(15) 0.6307(3) 0.0361(8) Uani 1 1 d . . .
C1 C 0.48637(14) 0.12181(15) 0.4007(4) 0.0292(8) Uani 1 1 d . . .
C2 C 0.56551(16) 0.15888(16) 0.5873(4) 0.0321(9) Uani 1 1 d . . .
C3 C 0.49556(17) 0.19589(17) 0.5850(4) 0.0359(9) Uani 1 1 d . . .
C4 C 0.49664(15) 0.13751(14) 0.8159(4) 0.0300(8) Uani 1 1 d . . .
C5 C 0.5125(2) 0.03842(18) 0.6623(4) 0.0437(11) Uani 1 1 d . . .
H5 H 0.5470 0.0644 0.6682 0.052 Uiso 1 1 calc R . .
C6 C 0.5002(3) -0.0127(2) 0.6781(5) 0.0629(15) Uani 1 1 d . . .
H6 H 0.5258 -0.0206 0.6984 0.075 Uiso 1 1 calc R . .
C7 C 0.4498(3) -0.0513(2) 0.6633(6) 0.0684(18) Uani 1 1 d . . .
H7 H 0.4410 -0.0858 0.6680 0.082 Uiso 1 1 calc R . .
C8 C 0.4130(2) -0.03818(19) 0.6417(5) 0.0599(15) Uani 1 1 d . . .
H8 H 0.3786 -0.0640 0.6320 0.072 Uiso 1 1 calc R . .
C9 C 0.42604(17) 0.01349(16) 0.6341(4) 0.0396(10) Uani 1 1 d . . .
C10 C 0.38817(17) 0.03117(18) 0.6314(4) 0.0422(11) Uani 1 1 d . . .
C11 C 0.3350(2) -0.0024(2) 0.6392(5) 0.0611(15) Uani 1 1 d . . .
H11 H 0.3219 -0.0379 0.6379 0.073 Uiso 1 1 calc R . .
C12 C 0.3021(2) 0.0169(3) 0.6488(6) 0.0735(19) Uani 1 1 d . . .
H12 H 0.2666 -0.0052 0.6529 0.088 Uiso 1 1 calc R . .
C13 C 0.3222(2) 0.0688(3) 0.6523(5) 0.0682(18) Uani 1 1 d . . .
H13 H 0.3005 0.0826 0.6605 0.082 Uiso 1 1 calc R . .
C14 C 0.3759(2) 0.1016(2) 0.6435(5) 0.0530(13) Uani 1 1 d . . .
H14 H 0.3893 0.1372 0.6466 0.064 Uiso 1 1 calc R . .
O1 O 0.58248(15) 0.23335(14) 0.3082(4) 0.0664(10) Uani 1 1 d . A .
H1A H 0.6092 0.2624 0.2925 0.080 Uiso 1 1 d R . .
H1B H 0.5729 0.2238 0.3900 0.080 Uiso 1 1 d R . .
O2 O 0.6059(6) 0.2555(6) 0.0025(16) 0.119(5) Uani 0.40 1 d PU A 1
O2A O 0.6003(6) 0.2519(5) -0.1640(14) 0.151(5) Uani 0.50 1 d PU B 2
O2B O 0.6667 0.3333 0.115(4) 0.123(9) Uani 0.30 3 d SPU . .

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 0.02783(17) 0.02842(17) 0.02066(16) 0.00196(12) 0.00097(12) 0.01624(14)
Mn1 0.0384(3) 0.0428(4) 0.0265(3) -0.0046(3) -0.0047(2) 0.0299(3)
N1 0.043(2) 0.051(2) 0.0256(18) 0.0029(15) 0.0033(15) 0.0281(18)
N2 0.034(2) 0.062(3) 0.050(2) 0.015(2) 0.0073(17) 0.024(2)
N3 0.079(3) 0.045(2) 0.055(2) 0.0132(19) 0.011(2) 0.043(2)
N4 0.054(2) 0.051(2) 0.0249(18) -0.0036(16) -0.0023(16) 0.026(2)
N5 0.044(2) 0.0313(18) 0.0231(16) 0.0017(13) 0.0021(14) 0.0195(16)
N6 0.0301(18) 0.055(2) 0.0229(16) 0.0030(15) 0.0017(13) 0.0213(17)
C1 0.0277(19) 0.034(2) 0.029(2) -0.0012(16) -0.0015(16) 0.0184(17)
C2 0.037(2) 0.036(2) 0.0255(19) 0.0059(16) 0.0013(16) 0.0198(19)
C3 0.044(2) 0.044(2) 0.028(2) 0.0059(18) 0.0062(17) 0.027(2)
C4 0.032(2) 0.028(2) 0.030(2) 0.0021(16) 0.0014(16) 0.0145(17)
C5 0.061(3) 0.043(2) 0.040(2) 0.003(2) 0.003(2) 0.035(2)
C6 0.098(5) 0.059(3) 0.054(3) 0.013(3) 0.016(3) 0.056(4)
C7 0.114(5) 0.040(3) 0.057(3) 0.013(2) 0.027(3) 0.043(4)
C8 0.072(4) 0.034(3) 0.049(3) 0.000(2) 0.014(3) 0.009(3)
C9 0.046(3) 0.033(2) 0.025(2) 0.0018(17) 0.0055(18) 0.009(2)
C10 0.036(2) 0.046(3) 0.027(2) 0.0002(18) 0.0018(17) 0.008(2)
C11 0.039(3) 0.074(4) 0.044(3) 0.002(3) 0.000(2) 0.008(3)
C12 0.040(3) 0.100(5) 0.051(3) 0.012(3) -0.002(2) 0.013(3)
C13 0.041(3) 0.126(6) 0.050(3) 0.017(3) 0.007(2) 0.050(4)
C14 0.051(3) 0.081(4) 0.039(2) 0.008(2) 0.003(2) 0.042(3)
O1 0.064(2) 0.060(2) 0.076(3) -0.013(2) -0.016(2) 0.033(2)
O2 0.111(8) 0.115(8) 0.131(9) 0.025(7) 0.010(7) 0.057(6)
O2A 0.148(8) 0.122(8) 0.122(8) -0.018(6) 0.018(6) 0.023(6)
O2B 0.126(9) 0.126(9) 0.116(12) 0.000 0.000 0.063(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 C2 1.980(4) . ?
Ru1 C3 1.984(4) . ?
Ru1 C4 2.038(4) . ?
Ru1 C1 2.047(4) . ?
Ru1 N5 2.108(3) . ?
Ru1 N6 2.124(3) . ?
Mn1 N3 2.110(4) 18_545 ?
Mn1 N2 2.120(4) 17 ?
Mn1 N4 2.151(4) 1_554 ?
Mn1 N1 2.165(3) . ?
Mn1 O1 2.372(4) . ?
Mn1 O2 2.513(15) . ?
N1 C1 1.153(5) . ?
N2 C2 1.154(5) . ?
N2 Mn1 2.120(4) 18_545 ?
N3 C3 1.146(5) . ?
N3 Mn1 2.110(4) 17 ?
N4 C4 1.145(5) . ?
N4 Mn1 2.151(4) 1_556 ?
N5 C5 1.347(6) . ?
N5 C9 1.356(5) . ?
N6 C14 1.336(6) . ?
N6 C10 1.359(6) . ?
C5 C6 1.388(7) . ?
C5 H5 0.9300 . ?
C6 C7 1.372(9) . ?
C6 H6 0.9300 . ?
C7 C8 1.357(8) . ?
C7 H7 0.9300 . ?
C8 C9 1.392(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.469(7) . ?
C10 C11 1.394(6) . ?
C11 C12 1.370(9) . ?
C11 H11 0.9300 . ?
C12 C13 1.356(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.403(7) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
O1 H1A 0.8499 . ?
O1 H1B 0.8500 . ?

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 C3 90.34(17) . . ?
C2 Ru1 C4 91.82(15) . . ?
C3 Ru1 C4 90.81(16) . . ?
C2 Ru1 C1 85.93(15) . . ?
C3 Ru1 C1 86.39(16) . . ?
C4 Ru1 C1 176.40(16) . . ?
C2 Ru1 N5 95.06(15) . . ?
C3 Ru1 N5 174.60(16) . . ?
C4 Ru1 N5 88.71(13) . . ?
C1 Ru1 N5 94.28(14) . . ?
C2 Ru1 N6 171.91(15) . . ?
C3 Ru1 N6 97.60(16) . . ?
C4 Ru1 N6 89.64(14) . . ?
C1 Ru1 N6 92.98(13) . . ?
N5 Ru1 N6 77.02(14) . . ?
N3 Mn1 N2 145.83(18) 18_545 17 ?
N3 Mn1 N4 93.15(15) 18_545 1_554 ?
N2 Mn1 N4 91.23(15) 17 1_554 ?
N3 Mn1 N1 102.65(15) 18_545 . ?
N2 Mn1 N1 108.38(15) 17 . ?
N4 Mn1 N1 106.99(14) 1_554 . ?
N3 Mn1 O1 85.42(15) 18_545 . ?
N2 Mn1 O1 83.79(14) 17 . ?
N4 Mn1 O1 168.64(15) 1_554 . ?
N1 Mn1 O1 84.30(14) . . ?
N3 Mn1 O2 72.1(4) 18_545 . ?
N2 Mn1 O2 73.9(4) 17 . ?
N4 Mn1 O2 91.1(4) 1_554 . ?
N1 Mn1 O2 161.6(4) . . ?
O1 Mn1 O2 77.8(4) . . ?
C1 N1 Mn1 140.6(3) . . ?
C2 N2 Mn1 175.4(4) . 18_545 ?
C3 N3 Mn1 173.8(4) . 17 ?
C4 N4 Mn1 157.6(4) . 1_556 ?
C5 N5 C9 118.3(4) . . ?
C5 N5 Ru1 125.8(3) . . ?
C9 N5 Ru1 115.8(3) . . ?
C14 N6 C10 118.4(4) . . ?
C14 N6 Ru1 126.6(3) . . ?
C10 N6 Ru1 115.0(3) . . ?
N1 C1 Ru1 171.5(4) . . ?
N2 C2 Ru1 175.5(4) . . ?
N3 C3 Ru1 177.4(4) . . ?
N4 C4 Ru1 179.5(4) . . ?
N5 C5 C6 122.0(5) . . ?
N5 C5 H5 119.0 . . ?
C6 C5 H5 119.0 . . ?
C7 C6 C5 119.4(6) . . ?
C7 C6 H6 120.3 . . ?
C5 C6 H6 120.3 . . ?
C8 C7 C6 118.7(5) . . ?
C8 C7 H7 120.7 . . ?
C6 C7 H7 120.7 . . ?
C7 C8 C9 120.7(5) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 H8 119.6 . . ?
N5 C9 C8 120.6(5) . . ?
N5 C9 C10 115.2(4) . . ?
C8 C9 C10 124.1(4) . . ?
N6 C10 C11 121.1(5) . . ?
N6 C10 C9 115.7(4) . . ?
C11 C10 C9 123.1(5) . . ?
C12 C11 C10 120.0(6) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C13 C12 C11 118.9(5) . . ?
C13 C12 H12 120.5 . . ?
C11 C12 H12 120.5 . . ?
C12 C13 C14 119.7(6) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 H13 120.2 . . ?
N6 C14 C13 121.9(6) . . ?
N6 C14 H14 119.1 . . ?
C13 C14 H14 119.1 . . ?
Mn1 O1 H1A 120.0 . . ?
Mn1 O1 H1B 120.0 . . ?
H1A O1 H1B 120.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N3 Mn1 N1 C1 85.4(5) 18_545 . . . ?
N2 Mn1 N1 C1 -80.1(5) 17 . . . ?
N4 Mn1 N1 C1 -177.3(5) 1_554 . . . ?
O1 Mn1 N1 C1 1.4(5) . . . . ?
O2 Mn1 N1 C1 14.1(13) . . . . ?
C2 Ru1 N5 C5 12.2(3) . . . . ?
C3 Ru1 N5 C5 -164.5(14) . . . . ?
C4 Ru1 N5 C5 -79.5(3) . . . . ?
C1 Ru1 N5 C5 98.5(3) . . . . ?
N6 Ru1 N5 C5 -169.4(3) . . . . ?
C2 Ru1 N5 C9 -168.4(3) . . . . ?
C3 Ru1 N5 C9 14.9(16) . . . . ?
C4 Ru1 N5 C9 99.9(3) . . . . ?
C1 Ru1 N5 C9 -82.1(3) . . . . ?
N6 Ru1 N5 C9 9.9(3) . . . . ?
C2 Ru1 N6 C14 -177.6(9) . . . . ?
C3 Ru1 N6 C14 -8.8(4) . . . . ?
C4 Ru1 N6 C14 82.0(4) . . . . ?
C1 Ru1 N6 C14 -95.5(4) . . . . ?
N5 Ru1 N6 C14 170.8(4) . . . . ?
C2 Ru1 N6 C10 2.6(11) . . . . ?
C3 Ru1 N6 C10 171.4(3) . . . . ?
C4 Ru1 N6 C10 -97.8(3) . . . . ?
C1 Ru1 N6 C10 84.7(3) . . . . ?
N5 Ru1 N6 C10 -9.1(3) . . . . ?
Mn1 N1 C1 Ru1 7(3) . . . . ?
C2 Ru1 C1 N1 -50(2) . . . . ?
C3 Ru1 C1 N1 40(2) . . . . ?
C4 Ru1 C1 N1 1(4) . . . . ?
N5 Ru1 C1 N1 -145(2) . . . . ?
N6 Ru1 C1 N1 138(2) . . . . ?
Mn1 N2 C2 Ru1 -98(6) 18_545 . . . ?
C3 Ru1 C2 N2 -121(5) . . . . ?
C4 Ru1 C2 N2 148(5) . . . . ?
C1 Ru1 C2 N2 -35(5) . . . . ?
N5 Ru1 C2 N2 59(5) . . . . ?
N6 Ru1 C2 N2 48(5) . . . . ?
Mn1 N3 C3 Ru1 -123(8) 17 . . . ?
C2 Ru1 C3 N3 83(9) . . . . ?
C4 Ru1 C3 N3 175(100) . . . . ?
C1 Ru1 C3 N3 -3(9) . . . . ?
N5 Ru1 C3 N3 -100(9) . . . . ?
N6 Ru1 C3 N3 -95(9) . . . . ?
Mn1 N4 C4 Ru1 136(100) 1_556 . . . ?
C2 Ru1 C4 N4 -102(100) . . . . ?
C3 Ru1 C4 N4 168(100) . . . . ?
C1 Ru1 C4 N4 -153(100) . . . . ?
N5 Ru1 C4 N4 -7(57) . . . . ?
N6 Ru1 C4 N4 70(57) . . . . ?
C9 N5 C5 C6 1.8(6) . . . . ?
Ru1 N5 C5 C6 -178.9(3) . . . . ?
N5 C5 C6 C7 3.0(7) . . . . ?
C5 C6 C7 C8 -3.9(8) . . . . ?
C6 C7 C8 C9 0.3(8) . . . . ?
C5 N5 C9 C8 -5.5(6) . . . . ?
Ru1 N5 C9 C8 175.1(3) . . . . ?
C5 N5 C9 C10 170.0(3) . . . . ?
Ru1 N5 C9 C10 -9.4(4) . . . . ?
C7 C8 C9 N5 4.5(7) . . . . ?
C7 C8 C9 C10 -170.6(4) . . . . ?
C14 N6 C10 C11 2.7(6) . . . . ?
Ru1 N6 C10 C11 -177.4(3) . . . . ?
C14 N6 C10 C9 -172.7(4) . . . . ?
Ru1 N6 C10 C9 7.1(4) . . . . ?
N5 C9 C10 N6 1.4(5) . . . . ?
C8 C9 C10 N6 176.8(4) . . . . ?
N5 C9 C10 C11 -174.0(4) . . . . ?
C8 C9 C10 C11 1.4(7) . . . . ?
N6 C10 C11 C12 -1.2(7) . . . . ?
C9 C10 C11 C12 174.0(4) . . . . ?
C10 C11 C12 C13 -0.8(8) . . . . ?
C11 C12 C13 C14 1.2(8) . . . . ?
C10 N6 C14 C13 -2.4(6) . . . . ?
Ru1 N6 C14 C13 177.8(3) . . . . ?
C12 C13 C14 N6 0.4(8) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.38
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.743
_refine_diff_density_min         -0.669
_refine_diff_density_rms         0.096