Synthesis, structure and fluorescent properties of 2-(1H-benzoimidazol-2-yl)quinolin-8-ol ligands and their zinc complexes
Juanjuan Xia; Zihong Zhou; Wen Li; Hu-Qin Zhang; Carl Redshaw; Wen-Hua Sun; Inorganica Chimica Acta 394 (2013) 569–575; doi:10.1016/j.ica.2012.09.012

data_1512793
_publ_section_title
;
 Synthesis, structure and fluorescent properties of
 2-(1H-benzoimidazol-2-yl)quinolin-8-ol ligands and their zinc complexes
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              569
_journal_page_last               575
_journal_paper_doi               10.1016/j.ica.2012.09.012
_journal_volume                  394
_journal_year                    2013
_chemical_formula_sum            'C36 H28 Cl0 N6 O2 Zn'
_chemical_formula_weight         642.01
_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                94.40(3)
_cell_angle_beta                 109.20(3)
_cell_angle_gamma                101.05(3)
_cell_formula_units_Z            2
_cell_length_a                   10.210(2)
_cell_length_b                   11.156(2)
_cell_length_c                   15.065(3)
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      1.45
_cell_volume                     1572.3(7)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'XP in Siemens SHELXTL (Sheldrick, 1994)'
_computing_publication_material  'SHELX97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Saturn724+ CCD'
_diffrn_measurement_method       '\w scans at fixed \c = 45\%'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_sigmaI/netI    0.0517
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14006
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    0.823
_exptl_absorpt_correction_T_max  0.6982
_exptl_absorpt_correction_T_min  0.4204
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.498
_refine_diff_density_min         -0.426
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         7084
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_gt           0.0551
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0827P)^2^+1.2964P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1573
_refine_ls_wR_factor_ref         0.1636
_reflns_number_gt                6217
_reflns_number_total             7084
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-394-569-575-2.cif
_cod_data_source_block           C6
_cod_original_cell_volume        1572.4(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1512793