data_ics01
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety
 'C27 H30 Cl2 N2 O Ru'
_chemical_formula_sum
 'C27 H30 Cl2 N2 O Ru'
_chemical_formula_weight          570.50
 
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    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                    11.5794(3)
_cell_length_b                    13.9350(4)
_cell_length_c                    16.6418(5)
_cell_angle_alpha                 90.00
_cell_angle_beta                  105.5780(10)
_cell_angle_gamma                 90.00
_cell_volume                      2586.66(13)
_cell_formula_units_Z             4
_cell_measurement_temperature     100(2)
_cell_measurement_reflns_used     33816
_cell_measurement_theta_min       2.34
_cell_measurement_theta_max       41.57
 
_exptl_crystal_description        Block
_exptl_crystal_colour             'Dark green'
_exptl_crystal_size_max           0.34
_exptl_crystal_size_mid           0.28
_exptl_crystal_size_min           0.14
_exptl_crystal_density_meas       0
_exptl_crystal_density_diffrn     1.465
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1168
_exptl_absorpt_coefficient_mu     0.835
_exptl_absorpt_correction_type    none
_exptl_absorpt_correction_T_min   0.7645
_exptl_absorpt_correction_T_max   0.8921
_exptl_absorpt_process_details    ?
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       100(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 1000'
_diffrn_measurement_method        '\w scans at 7 \f settings'
_diffrn_detector_area_resol_mean  ?
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             79070
_diffrn_reflns_av_R_equivalents   0.0822
_diffrn_reflns_av_sigmaI/netI     0.0534
_diffrn_reflns_limit_h_min        -20
_diffrn_reflns_limit_h_max        20
_diffrn_reflns_limit_k_min        -25
_diffrn_reflns_limit_k_max        25
_diffrn_reflns_limit_l_min        -28
_diffrn_reflns_limit_l_max        30
_diffrn_reflns_theta_min          1.83
_diffrn_reflns_theta_max          41.89
_reflns_number_total              14920
_reflns_number_gt                 10742
_reflns_threshold_expression      >2sigma(I)
 
_computing_data_collection        'Bruker SMART v5.630'
_computing_cell_refinement        'Bruker SAINT v6.45A'
_computing_data_reduction         'Bruker SAINT v6.45A'
_computing_structure_solution     'Bruker XS v6.12'
_computing_structure_refinement   'Bruker XL v6.12'
_computing_molecular_graphics     'Bruker XP v5.1'
_computing_publication_material   'Bruker XCIF v6.12'
 
_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 matrix'
_refine_ls_weighting_scheme       Sigma
_refine_ls_weighting_details      'w=1/s^2^(Fo^2^)'
_atom_sites_solution_primary      'Direct methods'
_atom_sites_solution_secondary    'Difference Fourier map'
_atom_sites_solution_hydrogens    'Geometric positions'
_refine_ls_hydrogen_treatment     Riding
_chemical_absolute_configuration  ?
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          14920
_refine_ls_number_parameters      332
_refine_ls_number_restraints      15
_refine_ls_R_factor_all           0.0575
_refine_ls_R_factor_gt            0.0348
_refine_ls_wR_factor_ref          0.0688
_refine_ls_wR_factor_gt           0.0652
_refine_ls_goodness_of_fit_ref    1.350
_refine_ls_restrained_S_all       1.350
_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 0.230829(9) 0.788069(6) 0.414384(6) 0.01306(2) Uani 1 1 d . . .
Cl1 Cl 0.40005(3) 0.73543(2) 0.517003(18) 0.02026(6) Uani 1 1 d . . .
Cl2 Cl 0.05098(3) 0.78401(2) 0.30704(2) 0.02081(6) Uani 1 1 d . . .
O1 O 0.12532(9) 0.77771(6) 0.51294(6) 0.01875(18) Uani 1 1 d . . .
N1 N 0.37470(11) 0.72080(8) 0.30809(7) 0.0212(2) Uani 1 1 d . A .
N2 N 0.33738(10) 0.87249(7) 0.28186(7) 0.0177(2) Uani 1 1 d . . .
C1 C 0.32110(11) 0.79897(8) 0.33054(7) 0.0147(2) Uani 1 1 d . A .
C2 C 0.41112(16) 0.73651(10) 0.23076(9) 0.0299(3) Uani 1 1 d . . .
H2A H 0.3521 0.7089 0.1817 0.036 Uiso 1 1 calc R A .
H2B H 0.4912 0.7088 0.2347 0.036 Uiso 1 1 calc R . .
C3 C 0.41322(14) 0.84589(10) 0.22659(9) 0.0258(3) Uani 1 1 d . A .
H3A H 0.4957 0.8712 0.2478 0.031 Uiso 1 1 calc R . .
H3B H 0.3785 0.8693 0.1690 0.031 Uiso 1 1 calc R . .
C4 C 0.36258(14) 0.62482(9) 0.33603(8) 0.0237(3) Uani 1 1 d . . .
C5 C 0.46582(16) 0.57205(11) 0.37371(9) 0.0307(3) Uani 1 1 d . A .
C6 C 0.44942(19) 0.47842(11) 0.39860(9) 0.0397(5) Uani 1 1 d . . .
H6 H 0.5178 0.4410 0.4246 0.048 Uiso 1 1 calc R A .
C7 C 0.3367(2) 0.43856(11) 0.38657(10) 0.0422(5) Uani 1 1 d . A .
H7 H 0.3286 0.3746 0.4040 0.051 Uiso 1 1 calc R . .
C8 C 0.23595(19) 0.49170(11) 0.34917(10) 0.0383(4) Uani 1 1 d . . .
H8 H 0.1583 0.4647 0.3409 0.046 Uiso 1 1 calc R A .
C9 C 0.24938(16) 0.58575(10) 0.32357(9) 0.0282(3) Uani 1 1 d . A .
H9 H 0.1806 0.6228 0.2976 0.034 Uiso 1 1 calc R . .
C10 C 0.58938(16) 0.61437(14) 0.39017(11) 0.0404(4) Uani 1 1 d . . .
H10A H 0.6457 0.5759 0.4324 0.061 Uiso 1 1 calc R A .
H10B H 0.5885 0.6803 0.4104 0.061 Uiso 1 1 calc R . .
H10C H 0.6145 0.6145 0.3385 0.061 Uiso 1 1 calc R . .
C11 C 0.30096(16) 0.97025(9) 0.28520(10) 0.0161(3) Uani 0.914(2) 1 d PD A 1
C12 C 0.38023(13) 1.03882(10) 0.33129(9) 0.0184(3) Uani 0.914(2) 1 d PD A 1
C13 C 0.33745(14) 1.13295(10) 0.33236(10) 0.0210(3) Uani 0.914(2) 1 d PD A 1
H13 H 0.3886 1.1805 0.3643 0.025 Uiso 0.914(2) 1 calc PR A 1
C14 C 0.22216(15) 1.15788(10) 0.28781(10) 0.0230(3) Uani 0.914(2) 1 d PD A 1
H14 H 0.1954 1.2222 0.2891 0.028 Uiso 0.914(2) 1 calc PR A 1
C15 C 0.14557(14) 1.08931(10) 0.24132(10) 0.0223(3) Uani 0.914(2) 1 d PD A 1
H15 H 0.0669 1.1066 0.2103 0.027 Uiso 0.914(2) 1 calc PR A 1
C16 C 0.18510(14) 0.99520(10) 0.24060(9) 0.0195(3) Uani 0.914(2) 1 d PD A 1
H16 H 0.1328 0.9477 0.2096 0.023 Uiso 0.914(2) 1 calc PR A 1
C17 C 0.50497(15) 1.01268(12) 0.38042(10) 0.0270(3) Uani 0.914(2) 1 d PD A 1
H17A H 0.5033 0.9511 0.4086 0.040 Uiso 0.914(2) 1 calc PR A 1
H17B H 0.5364 1.0625 0.4221 0.040 Uiso 0.914(2) 1 calc PR A 1
H17C H 0.5567 1.0073 0.3427 0.040 Uiso 0.914(2) 1 calc PR A 1
C11B C 0.3366(10) 0.9686(5) 0.3060(9) 0.015(4) Uiso 0.086(2) 1 d PD A 2
C12B C 0.2437(7) 1.0334(6) 0.2723(6) 0.014(2) Uiso 0.086(2) 1 d PD A 2
C13B C 0.2553(8) 1.1270(5) 0.3047(7) 0.012(2) Uiso 0.086(2) 1 d PD A 2
H13B H 0.1930 1.1722 0.2838 0.014 Uiso 0.086(2) 1 calc PR A 2
C14B C 0.3558(9) 1.1550(5) 0.3665(7) 0.014(3) Uiso 0.086(2) 1 d PD A 2
H14B H 0.3623 1.2191 0.3867 0.017 Uiso 0.086(2) 1 calc PR A 2
C15B C 0.4470(8) 1.0897(6) 0.3991(6) 0.015(3) Uiso 0.086(2) 1 d PD A 2
H15B H 0.5138 1.1077 0.4436 0.018 Uiso 0.086(2) 1 calc PR A 2
C16B C 0.4394(7) 0.9976(5) 0.3659(6) 0.008(2) Uiso 0.086(2) 1 d PD A 2
H16B H 0.5047 0.9543 0.3842 0.010 Uiso 0.086(2) 1 calc PR A 2
C17B C 0.1349(10) 1.0045(9) 0.2048(9) 0.031(4) Uiso 0.086(2) 1 d PD A 2
H17D H 0.1575 0.9933 0.1529 0.046 Uiso 0.086(2) 1 calc PR A 2
H17E H 0.0748 1.0557 0.1962 0.046 Uiso 0.086(2) 1 calc PR A 2
H17F H 0.1012 0.9454 0.2213 0.046 Uiso 0.086(2) 1 calc PR A 2
C18 C 0.23512(11) 0.91291(8) 0.44975(7) 0.0154(2) Uani 1 1 d . . .
H18 H 0.2728 0.9608 0.4250 0.018 Uiso 1 1 calc R . .
C19 C 0.18103(11) 0.93788(8) 0.51540(7) 0.0144(2) Uani 1 1 d . . .
C20 C 0.18397(12) 1.03168(8) 0.54672(8) 0.0186(2) Uani 1 1 d . . .
H20 H 0.2246 1.0806 0.5253 0.022 Uiso 1 1 calc R . .
C21 C 0.12843(13) 1.05389(9) 0.60854(8) 0.0224(3) Uani 1 1 d . . .
H21 H 0.1305 1.1176 0.6293 0.027 Uiso 1 1 calc R . .
C22 C 0.06967(13) 0.98161(10) 0.63979(8) 0.0229(3) Uani 1 1 d . . .
H22 H 0.0304 0.9970 0.6814 0.027 Uiso 1 1 calc R . .
C23 C 0.06697(12) 0.88711(10) 0.61164(8) 0.0209(2) Uani 1 1 d . . .
H23 H 0.0285 0.8382 0.6347 0.025 Uiso 1 1 calc R . .
C24 C 0.12201(11) 0.86624(8) 0.54896(7) 0.0155(2) Uani 1 1 d . . .
C25 C 0.06791(13) 0.69567(9) 0.54178(9) 0.0231(3) Uani 1 1 d . . .
H25 H 0.0865 0.6971 0.6040 0.028 Uiso 1 1 calc R . .
C26 C 0.12240(15) 0.60642(10) 0.51472(11) 0.0304(3) Uani 1 1 d . . .
H26A H 0.0975 0.6016 0.4537 0.046 Uiso 1 1 calc R . .
H26B H 0.0949 0.5496 0.5390 0.046 Uiso 1 1 calc R . .
H26C H 0.2100 0.6104 0.5340 0.046 Uiso 1 1 calc R . .
C27 C -0.06702(14) 0.70000(11) 0.50458(11) 0.0325(3) Uani 1 1 d . . .
H27A H -0.0978 0.7606 0.5204 0.049 Uiso 1 1 calc R . .
H27B H -0.1049 0.6462 0.5257 0.049 Uiso 1 1 calc R . .
H27C H -0.0854 0.6960 0.4437 0.049 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
Ru1 0.01672(5) 0.01163(3) 0.01206(4) 0.00002(3) 0.00597(3) 0.00168(4)
Cl1 0.02539(16) 0.02253(12) 0.01306(12) 0.00303(10) 0.00549(11) 0.00795(12)
Cl2 0.01846(14) 0.02052(12) 0.02181(14) -0.00497(11) 0.00258(11) 0.00053(12)
O1 0.0250(5) 0.0147(4) 0.0205(4) -0.0014(3) 0.0129(4) -0.0027(3)
N1 0.0341(6) 0.0188(4) 0.0149(5) 0.0031(4) 0.0136(4) 0.0115(4)
N2 0.0239(6) 0.0168(4) 0.0164(5) 0.0026(4) 0.0123(4) 0.0052(4)
C1 0.0165(5) 0.0155(5) 0.0116(5) 0.0011(4) 0.0032(4) 0.0042(4)
C2 0.0483(10) 0.0270(6) 0.0216(7) 0.0051(5) 0.0220(7) 0.0162(6)
C3 0.0347(8) 0.0272(6) 0.0226(6) 0.0033(5) 0.0201(6) 0.0075(6)
C4 0.0426(8) 0.0186(5) 0.0123(5) 0.0021(4) 0.0113(5) 0.0146(6)
C5 0.0498(10) 0.0301(7) 0.0146(6) 0.0044(5) 0.0128(6) 0.0232(7)
C6 0.0749(13) 0.0286(7) 0.0191(7) 0.0075(6) 0.0184(8) 0.0319(8)
C7 0.0882(15) 0.0184(6) 0.0225(7) 0.0042(5) 0.0191(9) 0.0129(8)
C8 0.0682(13) 0.0206(6) 0.0263(8) -0.0001(6) 0.0131(8) 0.0001(7)
C9 0.0473(9) 0.0181(5) 0.0191(6) 0.0008(5) 0.0086(6) 0.0080(6)
C10 0.0416(10) 0.0569(11) 0.0260(8) 0.0102(7) 0.0149(7) 0.0271(9)
C11 0.0210(9) 0.0159(6) 0.0142(7) 0.0019(4) 0.0096(6) 0.0008(5)
C12 0.0179(7) 0.0209(6) 0.0181(6) 0.0027(5) 0.0077(5) -0.0006(5)
C13 0.0238(8) 0.0188(6) 0.0228(7) 0.0004(5) 0.0103(6) -0.0035(5)
C14 0.0261(8) 0.0174(6) 0.0288(8) 0.0016(5) 0.0128(6) 0.0026(6)
C15 0.0192(7) 0.0219(6) 0.0254(7) 0.0028(5) 0.0053(6) 0.0047(5)
C16 0.0210(7) 0.0196(6) 0.0186(6) 0.0006(5) 0.0068(5) 0.0008(5)
C17 0.0216(8) 0.0295(7) 0.0268(8) 0.0027(6) 0.0014(6) 0.0006(6)
C18 0.0186(6) 0.0149(4) 0.0146(5) -0.0007(4) 0.0076(4) -0.0012(4)
C19 0.0158(6) 0.0150(4) 0.0132(5) -0.0004(4) 0.0049(4) 0.0018(4)
C20 0.0222(6) 0.0156(5) 0.0184(6) -0.0018(4) 0.0062(5) 0.0016(5)
C21 0.0275(7) 0.0212(5) 0.0193(6) -0.0049(5) 0.0078(5) 0.0047(5)
C22 0.0237(7) 0.0295(6) 0.0176(6) -0.0030(5) 0.0091(5) 0.0063(5)
C23 0.0214(6) 0.0255(6) 0.0188(6) -0.0007(5) 0.0108(5) 0.0005(5)
C24 0.0155(6) 0.0171(5) 0.0147(5) -0.0006(4) 0.0052(4) 0.0010(4)
C25 0.0278(7) 0.0187(5) 0.0261(6) 0.0022(5) 0.0128(5) -0.0048(5)
C26 0.0381(9) 0.0162(5) 0.0406(9) -0.0003(6) 0.0171(7) -0.0041(6)
C27 0.0286(8) 0.0301(7) 0.0419(9) -0.0015(6) 0.0148(7) -0.0082(6)
 
_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 C18 1.8329(11) . yes
Ru1 C1 1.9611(11) . yes
Ru1 O1 2.2979(8) . yes
Ru1 Cl1 2.3445(3) . yes
Ru1 Cl2 2.3523(3) . yes
O1 C24 1.3766(14) . ?
O1 C25 1.4664(14) . ?
N1 C1 1.3550(14) . ?
N1 C4 1.4352(16) . ?
N1 C2 1.4742(16) . ?
N2 C1 1.3503(15) . ?
N2 C11B 1.399(6) . ?
N2 C11 1.4316(16) . ?
N2 C3 1.4794(15) . ?
C2 C3 1.526(2) . ?
C4 C9 1.383(2) . ?
C4 C5 1.400(2) . ?
C5 C6 1.397(2) . ?
C5 C10 1.503(3) . ?
C6 C7 1.382(3) . ?
C7 C8 1.381(3) . ?
C8 C9 1.400(2) . ?
C11 C16 1.392(2) . ?
C11 C12 1.402(2) . ?
C12 C13 1.4038(19) . ?
C12 C17 1.501(2) . ?
C13 C14 1.386(2) . ?
C14 C15 1.389(2) . ?
C15 C16 1.3902(19) . ?
C11B C16B 1.392(3) . ?
C11B C12B 1.402(2) . ?
C12B C13B 1.404(2) . ?
C12B C17B 1.501(2) . ?
C13B C14B 1.386(2) . ?
C14B C15B 1.389(2) . ?
C15B C16B 1.390(2) . ?
C18 C19 1.4404(15) . ?
C19 C20 1.4042(16) . ?
C19 C24 1.4074(16) . ?
C20 C21 1.3869(17) . ?
C21 C22 1.392(2) . ?
C22 C23 1.3952(18) . ?
C23 C24 1.3912(16) . ?
C25 C26 1.5167(19) . ?
C25 C27 1.519(2) . ?
 
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
C18 Ru1 C1 100.45(5) . . yes
C18 Ru1 O1 78.71(4) . . yes
C1 Ru1 O1 179.15(4) . . yes
C18 Ru1 Cl1 96.76(4) . . yes
C1 Ru1 Cl1 92.38(4) . . yes
O1 Ru1 Cl1 87.76(3) . . yes
C18 Ru1 Cl2 102.05(4) . . yes
C1 Ru1 Cl2 89.65(4) . . yes
O1 Ru1 Cl2 90.49(3) . . yes
Cl1 Ru1 Cl2 160.382(12) . . yes
C24 O1 C25 119.21(9) . . ?
C24 O1 Ru1 109.69(7) . . ?
C25 O1 Ru1 131.09(7) . . ?
C1 N1 C4 124.61(10) . . ?
C1 N1 C2 112.39(10) . . ?
C4 N1 C2 119.80(10) . . ?
C1 N2 C11B 122.8(7) . . ?
C1 N2 C11 127.49(10) . . ?
C11B N2 C11 18.8(3) . . ?
C1 N2 C3 112.63(10) . . ?
C11B N2 C3 118.0(8) . . ?
C11 N2 C3 119.52(10) . . ?
N2 C1 N1 107.24(10) . . ?
N2 C1 Ru1 132.26(8) . . ?
N1 C1 Ru1 120.34(8) . . ?
N1 C2 C3 101.52(10) . . ?
N2 C3 C2 101.69(10) . . ?
C9 C4 C5 121.43(13) . . ?
C9 C4 N1 119.31(12) . . ?
C5 C4 N1 119.25(14) . . ?
C6 C5 C4 117.10(17) . . ?
C6 C5 C10 120.72(15) . . ?
C4 C5 C10 122.14(14) . . ?
C7 C6 C5 122.04(16) . . ?
C8 C7 C6 120.02(15) . . ?
C7 C8 C9 119.32(18) . . ?
C4 C9 C8 120.10(15) . . ?
C16 C11 C12 121.15(12) . . ?
C16 C11 N2 117.96(13) . . ?
C12 C11 N2 120.89(15) . . ?
C11 C12 C13 117.54(14) . . ?
C11 C12 C17 121.70(13) . . ?
C13 C12 C17 120.73(14) . . ?
C14 C13 C12 121.32(14) . . ?
C13 C14 C15 120.31(13) . . ?
C14 C15 C16 119.42(14) . . ?
C15 C16 C11 120.24(14) . . ?
C16B C11B N2 114.4(5) . . ?
C16B C11B C12B 121.08(18) . . ?
N2 C11B C12B 124.4(5) . . ?
C11B C12B C13B 117.48(18) . . ?
C11B C12B C17B 121.73(19) . . ?
C13B C12B C17B 120.79(19) . . ?
C14B C13B C12B 121.37(18) . . ?
C13B C14B C15B 120.29(18) . . ?
C14B C15B C16B 119.32(19) . . ?
C15B C16B C11B 120.2(2) . . ?
C19 C18 Ru1 119.54(8) . . ?
C20 C19 C24 118.62(10) . . ?
C20 C19 C18 122.29(11) . . ?
C24 C19 C18 119.08(10) . . ?
C21 C20 C19 120.87(12) . . ?
C20 C21 C22 119.09(12) . . ?
C21 C22 C23 121.77(11) . . ?
C24 C23 C22 118.40(12) . . ?
O1 C24 C23 125.86(11) . . ?
O1 C24 C19 112.93(9) . . ?
C23 C24 C19 121.21(11) . . ?
O1 C25 C26 106.31(10) . . ?
O1 C25 C27 110.04(11) . . ?
C26 C25 C27 112.08(13) . . ?
 
_diffrn_measured_fraction_theta_max    0.831
_diffrn_reflns_theta_full              41.89
_diffrn_measured_fraction_theta_full   0.831
_refine_diff_density_max    1.532
_refine_diff_density_min   -1.125
_refine_diff_density_rms    0.108

#===END