Synthesis, structure, DNA interaction and nuclease activity of rhodium(III)-arylazoimidazole complexes
Dibakar Sardar; Papia Datta; Sanju Das; Biswarup Saha; Saheli Samanta; Debalina Bhattacharya; Parimal Karmakar; Chung-De Chen; Chun-Jung Chen; Chittaranjan Sinha; Inorganica Chimica Acta 393 (2012) 98–106; doi:

data_1512709
_publ_section_title
;
 Synthesis, structure, DNA interaction and nuclease activity of
 rhodium(III)-arylazoimidazole complexes
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              98
_journal_page_last               106
_journal_volume                  393
_journal_year                    2012
_chemical_formula_sum            'C24 H28 Cl3 N8 O4 Rh'
_chemical_formula_weight         701.80
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 95.5870(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   12.9971(7)
_cell_length_b                   17.6354(7)
_cell_length_c                   37.9265(18)
_cell_measurement_reflns_used    10789
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.33
_cell_measurement_theta_min      1.75
_cell_volume                     8651.8(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0578
_diffrn_reflns_av_sigmaI/netI    0.0391
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            50536
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.08
_exptl_absorpt_coefficient_mu    0.84
_exptl_absorpt_correction_T_max  0.952
_exptl_absorpt_correction_T_min  0.708
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lump
_exptl_crystal_F_000             4056
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.205
_refine_diff_density_min         -1.503
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.417
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     548
_refine_ls_number_reflns         10789
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.417
_refine_ls_R_factor_all          0.0800
_refine_ls_R_factor_gt           0.0732
_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^)+(0.0000P)^2^+99.7145P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1433
_refine_ls_wR_factor_ref         0.1456
_reflns_number_gt                9856
_reflns_number_total             10789
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-394-98-106.cif
_cod_data_source_block           07fe13lm
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1512709