# Supplementary Material (ESI) for Dalton Transactions
# This journal is (c) The Royal Society of Chemistry 2009

data_global

_journal_coden_Cambridge         182

loop_
_publ_author_name
'Jose Ruiz'
'Delia Bautista'
'Concepcion de Haro'
'Consuelo Vicente'

_publ_contact_author_name        'Jose Ruiz'
_publ_contact_author_email       JRUIZ@UM.ES

_publ_section_title              
;
A novel ruthenium(II) arene based intercalator with
potent anticancer activity
;

# Attachment 'ruaas1.cif'

data_ruaas
_database_code_depnum_ccdc_archive 'CCDC 722721'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C25 H25 Cl7 N2 Ru'
_chemical_formula_weight         702.69

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'
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           triclinic
_symmetry_space_group_name_H-M   'P -1'

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

_cell_length_a                   10.0644(5)
_cell_length_b                   10.3143(5)
_cell_length_c                   16.2930(7)
_cell_angle_alpha                92.316(2)
_cell_angle_beta                 105.858(2)
_cell_angle_gamma                118.575(2)
_cell_volume                     1399.17(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5395
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      28.09

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             704
_exptl_absorpt_coefficient_mu    1.248
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7487
_exptl_absorpt_correction_T_max  0.8447
_exptl_absorpt_process_details   SADABS

_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 APEX CCD'
_diffrn_measurement_method       \w-scan
_diffrn_detector_area_resol_mean 8.26
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16268
_diffrn_reflns_av_R_equivalents  0.0165
_diffrn_reflns_av_sigmaI/netI    0.0211
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.30
_diffrn_reflns_theta_max         28.28
_reflns_number_total             6284
_reflns_number_gt                5885
_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^)+(0.0289P)^2^+1.0225P] 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    'NH free, rigid methyls others riding'
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6284
_refine_ls_number_parameters     327
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0254
_refine_ls_R_factor_gt           0.0235
_refine_ls_wR_factor_ref         0.0591
_refine_ls_wR_factor_gt          0.0582
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_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 0.602174(15) 0.218565(14) 0.242495(8) 0.01228(5) Uani 1 1 d . . .
Cl1 Cl 0.85882(5) 0.41502(4) 0.23445(3) 0.01586(8) Uani 1 1 d . . .
N9 N 0.59609(18) 0.38452(16) 0.31527(9) 0.0150(3) Uani 1 1 d . . .
H09 H 0.549(2) 0.429(2) 0.2942(13) 0.016(5) Uiso 1 1 d . . .
N10 N 0.85441(19) 0.48220(17) 0.57529(10) 0.0175(3) Uani 1 1 d . . .
H01 H 0.918(3) 0.507(3) 0.6206(15) 0.021(6) Uiso 1 1 d . . .
C1 C 0.73508(19) 0.23116(18) 0.36680(11) 0.0143(3) Uani 1 1 d . . .
C2 C 0.8134(2) 0.15309(19) 0.39583(11) 0.0164(3) Uani 1 1 d . . .
H2 H 0.8067 0.0793 0.3555 0.020 Uiso 1 1 calc R . .
C3 C 0.9025(2) 0.1822(2) 0.48443(12) 0.0179(3) Uani 1 1 d . . .
H3 H 0.9526 0.1253 0.5028 0.022 Uiso 1 1 calc R . .
C4 C 0.9196(2) 0.2905(2) 0.54544(11) 0.0171(3) Uani 1 1 d . . .
H4 H 0.9823 0.3097 0.6047 0.020 Uiso 1 1 calc R . .
C5 C 0.8037(2) 0.6781(2) 0.61169(12) 0.0223(4) Uani 1 1 d . . .
H5 H 0.8649 0.6948 0.6710 0.027 Uiso 1 1 calc R . .
C6 C 0.7353(2) 0.7640(2) 0.58662(13) 0.0249(4) Uani 1 1 d . . .
H6 H 0.7494 0.8396 0.6290 0.030 Uiso 1 1 calc R . .
C7 C 0.6447(2) 0.7420(2) 0.49926(13) 0.0242(4) Uani 1 1 d . . .
H7 H 0.5992 0.8030 0.4825 0.029 Uiso 1 1 calc R . .
C8 C 0.6228(2) 0.6310(2) 0.43832(12) 0.0194(4) Uani 1 1 d . . .
H8 H 0.5605 0.6152 0.3794 0.023 Uiso 1 1 calc R . .
C9 C 0.67380(19) 0.42379(18) 0.39913(11) 0.0140(3) Uani 1 1 d . . .
C11 C 0.7830(2) 0.5652(2) 0.54942(11) 0.0173(3) Uani 1 1 d . . .
C12 C 0.6907(2) 0.54006(19) 0.46144(11) 0.0161(3) Uani 1 1 d . . .
C13 C 0.75130(19) 0.34083(18) 0.43025(11) 0.0134(3) Uani 1 1 d . . .
C14 C 0.8423(2) 0.37200(19) 0.51815(11) 0.0156(3) Uani 1 1 d . . .
C21 C 0.4348(2) -0.01971(19) 0.22897(11) 0.0158(3) Uani 1 1 d . . .
C22 C 0.3482(2) 0.0562(2) 0.20584(11) 0.0179(3) Uani 1 1 d . . .
H22 H 0.2775 0.0506 0.2358 0.021 Uiso 1 1 calc R . .
C23 C 0.3654(2) 0.1413(2) 0.13803(11) 0.0191(4) Uani 1 1 d . . .
H23 H 0.3023 0.1873 0.1223 0.023 Uiso 1 1 calc R . .
C24 C 0.4727(2) 0.1579(2) 0.09474(11) 0.0185(3) Uani 1 1 d . . .
C25 C 0.5658(2) 0.08648(19) 0.12135(11) 0.0170(3) Uani 1 1 d . . .
H25 H 0.6452 0.1017 0.0958 0.020 Uiso 1 1 calc R . .
C26 C 0.5435(2) -0.00510(19) 0.18382(11) 0.0160(3) Uani 1 1 d . . .
H26 H 0.6006 -0.0573 0.1961 0.019 Uiso 1 1 calc R . .
C27 C 0.4149(2) -0.1158(2) 0.29743(12) 0.0187(3) Uani 1 1 d . . .
H27 H 0.5190 -0.1121 0.3240 0.022 Uiso 1 1 calc R . .
C28 C 0.2872(2) -0.2800(2) 0.25284(14) 0.0277(4) Uani 1 1 d . . .
H28A H 0.1816 -0.2892 0.2311 0.042 Uiso 1 1 calc R . .
H28B H 0.2861 -0.3455 0.2949 0.042 Uiso 1 1 calc R . .
H28C H 0.3125 -0.3103 0.2040 0.042 Uiso 1 1 calc R . .
C29 C 0.3753(2) -0.0615(2) 0.37095(13) 0.0247(4) Uani 1 1 d . . .
H29A H 0.4543 0.0454 0.3955 0.037 Uiso 1 1 calc R . .
H29B H 0.3782 -0.1202 0.4165 0.037 Uiso 1 1 calc R . .
H29C H 0.2679 -0.0747 0.3480 0.037 Uiso 1 1 calc R . .
C30 C 0.5022(3) 0.2561(2) 0.02852(12) 0.0260(4) Uani 1 1 d . . .
H30A H 0.4481 0.3139 0.0283 0.039 Uiso 1 1 calc R . .
H30B H 0.4598 0.1928 -0.0293 0.039 Uiso 1 1 calc R . .
H30C H 0.6177 0.3256 0.0433 0.039 Uiso 1 1 calc R . .
C98 C 0.7945(2) 0.7070(2) 0.21590(12) 0.0226(4) Uani 1 1 d . . .
H98 H 0.8137 0.6292 0.2427 0.027 Uiso 1 1 calc R . .
Cl2 Cl 0.90028(7) 0.87515(6) 0.29486(4) 0.03622(13) Uani 1 1 d . . .
Cl3 Cl 0.86350(7) 0.73563(7) 0.12669(4) 0.03805(13) Uani 1 1 d . . .
Cl4 Cl 0.58646(6) 0.64057(6) 0.18206(3) 0.03104(11) Uani 1 1 d . . .
C99 C 0.9912(2) 0.2892(2) 0.08872(13) 0.0271(4) Uani 1 1 d . . .
H99 H 0.9711 0.3461 0.1303 0.033 Uiso 1 1 calc R . .
Cl5 Cl 1.19159(6) 0.39967(6) 0.09154(4) 0.03690(13) Uani 1 1 d . . .
Cl6 Cl 0.95918(8) 0.11895(8) 0.12103(5) 0.05248(18) Uani 1 1 d . . .
Cl7 Cl 0.85939(6) 0.25451(7) -0.01653(3) 0.03758(13) Uani 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 0.01287(7) 0.01270(7) 0.01159(7) 0.00120(5) 0.00352(5) 0.00713(5)
Cl1 0.01621(19) 0.01495(19) 0.01565(18) 0.00254(15) 0.00614(15) 0.00696(16)
N9 0.0173(7) 0.0159(7) 0.0148(7) 0.0035(5) 0.0050(6) 0.0108(6)
N10 0.0161(7) 0.0205(8) 0.0114(7) 0.0004(6) 0.0029(6) 0.0069(6)
C1 0.0124(7) 0.0128(8) 0.0152(8) 0.0033(6) 0.0053(6) 0.0042(6)
C2 0.0151(8) 0.0140(8) 0.0189(8) 0.0021(6) 0.0053(6) 0.0066(7)
C3 0.0150(8) 0.0178(8) 0.0213(9) 0.0083(7) 0.0060(7) 0.0083(7)
C4 0.0133(8) 0.0200(9) 0.0142(8) 0.0058(7) 0.0037(6) 0.0060(7)
C5 0.0187(9) 0.0230(9) 0.0189(9) -0.0033(7) 0.0067(7) 0.0063(7)
C6 0.0227(9) 0.0209(9) 0.0272(10) -0.0064(7) 0.0104(8) 0.0080(8)
C7 0.0232(9) 0.0222(9) 0.0301(10) 0.0001(8) 0.0106(8) 0.0130(8)
C8 0.0176(8) 0.0192(9) 0.0220(9) 0.0013(7) 0.0077(7) 0.0094(7)
C9 0.0125(7) 0.0129(8) 0.0164(8) 0.0031(6) 0.0072(6) 0.0050(6)
C11 0.0138(8) 0.0168(8) 0.0177(8) 0.0004(7) 0.0080(6) 0.0039(7)
C12 0.0141(8) 0.0153(8) 0.0179(8) 0.0016(6) 0.0077(6) 0.0057(7)
C13 0.0121(7) 0.0131(8) 0.0146(8) 0.0040(6) 0.0064(6) 0.0049(6)
C14 0.0139(8) 0.0147(8) 0.0156(8) 0.0040(6) 0.0073(6) 0.0042(6)
C21 0.0140(8) 0.0124(8) 0.0164(8) -0.0006(6) 0.0034(6) 0.0045(6)
C22 0.0124(8) 0.0185(8) 0.0188(8) -0.0020(7) 0.0035(6) 0.0064(7)
C23 0.0168(8) 0.0199(9) 0.0177(8) -0.0003(7) 0.0000(7) 0.0104(7)
C24 0.0200(9) 0.0179(8) 0.0129(8) -0.0012(6) 0.0011(6) 0.0087(7)
C25 0.0179(8) 0.0164(8) 0.0137(8) -0.0016(6) 0.0047(6) 0.0072(7)
C26 0.0151(8) 0.0138(8) 0.0166(8) -0.0011(6) 0.0034(6) 0.0068(7)
C27 0.0168(8) 0.0163(8) 0.0220(9) 0.0049(7) 0.0078(7) 0.0069(7)
C28 0.0284(10) 0.0172(9) 0.0323(11) 0.0050(8) 0.0123(8) 0.0066(8)
C29 0.0252(10) 0.0242(10) 0.0244(9) 0.0066(8) 0.0134(8) 0.0096(8)
C30 0.0357(11) 0.0273(10) 0.0160(9) 0.0056(7) 0.0055(8) 0.0183(9)
C98 0.0242(9) 0.0235(9) 0.0243(9) 0.0058(7) 0.0078(8) 0.0153(8)
Cl2 0.0420(3) 0.0298(3) 0.0321(3) -0.0031(2) -0.0003(2) 0.0221(2)
Cl3 0.0468(3) 0.0494(3) 0.0362(3) 0.0174(2) 0.0255(3) 0.0314(3)
Cl4 0.0235(2) 0.0337(3) 0.0375(3) 0.0173(2) 0.0090(2) 0.0157(2)
C99 0.0264(10) 0.0329(11) 0.0269(10) 0.0025(8) 0.0096(8) 0.0186(9)
Cl5 0.0229(2) 0.0263(3) 0.0526(3) -0.0072(2) 0.0068(2) 0.0100(2)
Cl6 0.0453(4) 0.0560(4) 0.0838(5) 0.0416(4) 0.0376(4) 0.0360(3)
Cl7 0.0282(3) 0.0511(3) 0.0261(3) 0.0027(2) 0.0059(2) 0.0168(2)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C1 2.0592(17) . ?
Ru1 N9 2.0774(15) . ?
Ru1 C22 2.1643(17) . ?
Ru1 C21 2.1723(17) . ?
Ru1 C26 2.1897(17) . ?
Ru1 C25 2.1903(17) . ?
Ru1 C23 2.2512(17) . ?
Ru1 C24 2.2953(17) . ?
Ru1 Cl1 2.4483(4) . ?
N9 C9 1.308(2) . ?
N10 C11 1.371(2) . ?
N10 C14 1.376(2) . ?
C1 C2 1.388(2) . ?
C1 C13 1.418(2) . ?
C2 C3 1.407(2) . ?
C3 C4 1.378(3) . ?
C4 C14 1.406(2) . ?
C5 C6 1.373(3) . ?
C5 C11 1.410(2) . ?
C6 C7 1.405(3) . ?
C7 C8 1.376(3) . ?
C8 C12 1.410(2) . ?
C9 C13 1.434(2) . ?
C9 C12 1.453(2) . ?
C11 C12 1.413(2) . ?
C13 C14 1.399(2) . ?
C21 C22 1.419(2) . ?
C21 C26 1.432(2) . ?
C21 C27 1.513(2) . ?
C22 C23 1.435(3) . ?
C23 C24 1.394(3) . ?
C24 C25 1.440(2) . ?
C24 C30 1.501(3) . ?
C25 C26 1.406(2) . ?
C27 C29 1.526(3) . ?
C27 C28 1.535(3) . ?
C98 Cl3 1.753(2) . ?
C98 Cl2 1.761(2) . ?
C98 Cl4 1.7678(19) . ?
C99 Cl7 1.755(2) . ?
C99 Cl6 1.758(2) . ?
C99 Cl5 1.765(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
C1 Ru1 N9 77.79(6) . . ?
C1 Ru1 C22 114.43(7) . . ?
N9 Ru1 C22 95.55(6) . . ?
C1 Ru1 C21 91.62(6) . . ?
N9 Ru1 C21 121.88(6) . . ?
C22 Ru1 C21 38.19(6) . . ?
C1 Ru1 C26 98.20(7) . . ?
N9 Ru1 C26 160.14(6) . . ?
C22 Ru1 C26 68.13(6) . . ?
C21 Ru1 C26 38.33(6) . . ?
C1 Ru1 C25 127.15(7) . . ?
N9 Ru1 C25 154.40(6) . . ?
C22 Ru1 C25 79.90(7) . . ?
C21 Ru1 C25 68.64(6) . . ?
C26 Ru1 C25 37.46(6) . . ?
C1 Ru1 C23 151.28(7) . . ?
N9 Ru1 C23 95.02(6) . . ?
C22 Ru1 C23 37.86(7) . . ?
C21 Ru1 C23 68.40(6) . . ?
C26 Ru1 C23 79.11(6) . . ?
C25 Ru1 C23 65.92(7) . . ?
C1 Ru1 C24 164.47(7) . . ?
N9 Ru1 C24 117.72(6) . . ?
C22 Ru1 C24 67.08(7) . . ?
C21 Ru1 C24 80.82(6) . . ?
C26 Ru1 C24 67.52(6) . . ?
C25 Ru1 C24 37.37(6) . . ?
C23 Ru1 C24 35.68(6) . . ?
C1 Ru1 Cl1 84.89(5) . . ?
N9 Ru1 Cl1 88.06(4) . . ?
C22 Ru1 Cl1 160.68(5) . . ?
C21 Ru1 Cl1 148.45(5) . . ?
C26 Ru1 Cl1 111.13(5) . . ?
C25 Ru1 Cl1 88.66(5) . . ?
C23 Ru1 Cl1 123.00(5) . . ?
C24 Ru1 Cl1 94.44(5) . . ?
C9 N9 Ru1 118.41(12) . . ?
C11 N10 C14 122.66(15) . . ?
C2 C1 C13 116.83(15) . . ?
C2 C1 Ru1 129.75(13) . . ?
C13 C1 Ru1 113.38(12) . . ?
C1 C2 C3 120.64(16) . . ?
C4 C3 C2 122.14(16) . . ?
C3 C4 C14 118.65(16) . . ?
C6 C5 C11 119.97(18) . . ?
C5 C6 C7 121.13(17) . . ?
C8 C7 C6 119.18(18) . . ?
C7 C8 C12 121.45(17) . . ?
N9 C9 C13 114.06(15) . . ?
N9 C9 C12 127.66(16) . . ?
C13 C9 C12 118.27(15) . . ?
N10 C11 C5 119.22(16) . . ?
N10 C11 C12 121.01(16) . . ?
C5 C11 C12 119.77(17) . . ?
C8 C12 C11 118.49(16) . . ?
C8 C12 C9 123.43(16) . . ?
C11 C12 C9 118.06(15) . . ?
C14 C13 C1 122.68(15) . . ?
C14 C13 C9 120.94(15) . . ?
C1 C13 C9 116.34(15) . . ?
N10 C14 C13 119.06(16) . . ?
N10 C14 C4 121.90(16) . . ?
C13 C14 C4 119.05(16) . . ?
C22 C21 C26 117.63(16) . . ?
C22 C21 C27 122.87(16) . . ?
C26 C21 C27 119.50(15) . . ?
C22 C21 Ru1 70.60(10) . . ?
C26 C21 Ru1 71.49(10) . . ?
C27 C21 Ru1 129.65(12) . . ?
C21 C22 C23 121.29(16) . . ?
C21 C22 Ru1 71.21(10) . . ?
C23 C22 Ru1 74.36(10) . . ?
C24 C23 C22 121.37(16) . . ?
C24 C23 Ru1 73.89(10) . . ?
C22 C23 Ru1 67.79(9) . . ?
C23 C24 C25 117.05(16) . . ?
C23 C24 C30 122.35(17) . . ?
C25 C24 C30 120.40(17) . . ?
C23 C24 Ru1 70.43(10) . . ?
C25 C24 Ru1 67.36(9) . . ?
C30 C24 Ru1 129.26(13) . . ?
C26 C25 C24 122.34(16) . . ?
C26 C25 Ru1 71.25(10) . . ?
C24 C25 Ru1 75.28(10) . . ?
C25 C26 C21 120.10(16) . . ?
C25 C26 Ru1 71.29(10) . . ?
C21 C26 Ru1 70.18(9) . . ?
C21 C27 C29 113.93(15) . . ?
C21 C27 C28 108.94(15) . . ?
C29 C27 C28 111.17(15) . . ?
Cl3 C98 Cl2 110.47(11) . . ?
Cl3 C98 Cl4 110.64(11) . . ?
Cl2 C98 Cl4 110.08(10) . . ?
Cl7 C99 Cl6 110.69(12) . . ?
Cl7 C99 Cl5 109.86(11) . . ?
Cl6 C99 Cl5 110.05(11) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C98 H98 Cl1 1.00 2.46 3.3775(19) 151.5 .
C99 H99 Cl1 1.00 2.53 3.497(2) 163.6 .
N10 H01 Cl1 0.77(2) 2.55(2) 3.3138(16) 176(2) 2_766

_diffrn_measured_fraction_theta_max 0.905
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         0.885
_refine_diff_density_min         -0.630
_refine_diff_density_rms         0.069