Ruthenium- and Osmium-Arene Complexes of 8-Substituted Indolo[3,2-c]quinolines: Synthesis,X-ray Diffraction Structures, Spectroscopic Properties, and Antiproli- ferative Activity
Lukas K. Filak; Simone Goeschl; Stefanie Hackl; Michael A. Jakupec; Vladimir B. Arion; Inorganica Chimica Acta 393 (2012) 252–260; doi:10.1016/j.ica.2012.06.004

data_1512676
_publ_section_title
;
 Ruthenium- and Osmium-Arene Complexes of 8-Substituted
 Indolo[3,2-c]quinolines: Synthesis,X-ray Diffraction Structures,
 Spectroscopic Properties, and Antiproli- ferative Activity
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              252
_journal_page_last               260
_journal_paper_doi               10.1016/j.ica.2012.06.004
_journal_volume                  393
_journal_year                    2012
_chemical_formula_moiety         'C32 H30 Br Cl N5 Os, Cl, 0.75(H2 O)'
_chemical_formula_sum            'C32 H31.5 Br Cl2 N5 O0.75 Os'
_chemical_formula_weight         839.13
_chemical_name_systematic
; 
{(hapto^6^-p-Cymene)[N-(8-bromo-5,11-dihydroindolo[3,2-c]quinolin-6-
ylidene)-kappaN'-(1-kappaN-pyridin-2-yl-ethylidene)]azine 
chloridoosmium(II)}chloride hydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                98.018(2)
_cell_angle_beta                 95.312(2)
_cell_angle_gamma                112.859(3)
_cell_formula_units_Z            4
_cell_length_a                   12.3508(4)
_cell_length_b                   13.3564(5)
_cell_length_c                   20.5840(8)
_cell_measurement_reflns_used    9698
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      2.49
_cell_volume                     3058.0(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0438
_diffrn_reflns_av_sigmaI/netI    0.0247
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            88181
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    5.686
_exptl_absorpt_correction_T_max  0.8045
_exptl_absorpt_correction_T_min  0.4826
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.823
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1638
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.689
_refine_diff_density_min         -1.160
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     771
_refine_ls_number_reflns         11358
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0287
_refine_ls_R_factor_gt           0.0208
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0214P)^2^+4.2038P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0482
_refine_ls_wR_factor_ref         0.0506
_reflns_number_gt                9846
_reflns_number_total             11358
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2012-393-252-260-4.cif
_cod_data_source_block           RIBU063a
_cod_original_cell_volume        3057.97(19)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C32 H31.50 Br Cl2 N5 O0.75 Os'
_cod_database_code               1512676