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_4063380
_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
'4(C31 H28 Cl2 N5 Os), 2(C2 H5 O2), O3, 4(Cl)'
_chemical_formula_sum            'C128 H134 Cl12 N20 O7 Os4'
_chemical_formula_weight         3250.75
_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-
osmium(II)} chloride diethyl ether water solvate  
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 106.416(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.2834(5)
_cell_length_b                   14.0348(5)
_cell_length_c                   29.4680(11)
_cell_measurement_reflns_used    9925
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      22.69
_cell_measurement_theta_min      2.47
_cell_volume                     6856.6(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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.1118
_diffrn_reflns_av_sigmaI/netI    0.0552
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            112080
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.47
_exptl_absorpt_coefficient_mu    3.988
_exptl_absorpt_correction_T_max  0.8897
_exptl_absorpt_correction_T_min  0.2404
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3212
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.684
_refine_diff_density_min         -1.190
_refine_diff_density_rms         0.183
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     396
_refine_ls_number_reflns         8282
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0802
_refine_ls_R_factor_gt           0.0546
_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^)+(0.0508P)^2^+123.3408P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1299
_refine_ls_wR_factor_ref         0.1388
_reflns_number_gt                6328
_reflns_number_total             8282
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om101004z_si_002.cif
_cod_data_source_block           feba013_4b
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4063380