Ruthenium- and Osmium-Arene Complexes of 2-Substituted Indolo[3,2-c]quinolines: Synthesis, Structure, Spectroscopic Properties, and Antiproliferative Activity
Filak, Lukas K.; Mühlgassner, Gerhard; Bacher, Felix; Roller, Alexander; Galanski, Markus; Jakupec, Michael A.; Keppler, Bernhard K.; Arion, Vladimir B.; Organometallics 30 (2011) 273–283; doi:10.1021/om101004z

data_4063378
_publ_section_title
;
 Ruthenium- and Osmium-Arene Complexes of 2-Substituted
 Indolo[3,2-c]quinolines: Synthesis, Structure, Spectroscopic Properties,
 and Antiproliferative Activity
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              273
_journal_page_last               283
_journal_paper_doi               10.1021/om101004z
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C31 H28 Cl2 N5 Ru, Cl'
_chemical_formula_sum            'C31 H28 Cl3 N5 Ru'
_chemical_formula_weight         678.00
_chemical_name_systematic
; 
{(hapto^6^-p-cymene)[N-(2-chloro-5,11-dihydroindolo[3,2-c]quinolin-6-
ylidene)kappaN'-(1-kappaN-pyridin-2-yl-methylidene)]azine chlorido-
ruthenium(II)} chloride 
;
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   26.5354(10)
_cell_length_b                   26.5354(10)
_cell_length_c                   9.0872(4)
_cell_measurement_reflns_used    3562
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      21.24
_cell_measurement_theta_min      2.37
_cell_volume                     6398.5(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.1436
_diffrn_reflns_av_sigmaI/netI    0.0911
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            63739
_diffrn_reflns_theta_full        25.36
_diffrn_reflns_theta_max         25.36
_diffrn_reflns_theta_min         2.43
_exptl_absorpt_coefficient_mu    0.768
_exptl_absorpt_correction_T_max  0.9626
_exptl_absorpt_correction_T_min  0.8022
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown-red
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick
_exptl_crystal_F_000             2752
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.494
_refine_diff_density_min         -0.408
_refine_diff_density_rms         0.133
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.05(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         5848
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0848
_refine_ls_R_factor_gt           0.0593
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0942P)^2^+17.1012P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1509
_refine_ls_wR_factor_ref         0.1646
_reflns_number_gt                4558
_reflns_number_total             5848
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om101004z_si_002.cif
_cod_data_source_block           FEBA009_4a
_cod_original_sg_symbol_H-M      I-4
_cod_database_code               4063378