Ionophoric azoaromatics: Synthesis, isolation and complex formation with alkali metal ions
Pradip Ghosh; Suman K. Roy; Debajyoti Ghoshal; Rajat Saha; Golam Mostafa; Sreebrata Goswami; Inorganica Chimica Acta 424 (2015) 260–266; doi:

data_1518923
_publ_section_title
;
 Ionophoric azoaromatics: Synthesis, isolation and complex formation with
 alkali metal ions
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              260
_journal_page_last               266
_journal_volume                  424
_journal_year                    2015
_chemical_formula_moiety         'C42 H42 Cl Co N8 Na O10, Cl O4'
_chemical_formula_sum            'C42 H42 Cl2 Co N8 Na O14'
_chemical_formula_weight         1035.66
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 95.021(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1134(15)
_cell_length_b                   19.816(3)
_cell_length_c                   25.634(4)
_cell_measurement_reflns_used    2008
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15.39
_cell_measurement_theta_min      1.30
_cell_volume                     4611.5(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(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  0.0778
_diffrn_reflns_av_sigmaI/netI    0.0344
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16907
_diffrn_reflns_theta_full        15.39
_diffrn_reflns_theta_max         15.39
_diffrn_reflns_theta_min         1.30
_exptl_absorpt_coefficient_mu    0.573
_exptl_absorpt_correction_T_max  0.9449
_exptl_absorpt_correction_T_min  0.8470
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2136
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.612
_refine_diff_density_min         -0.254
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     613
_refine_ls_number_reflns         2008
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0521
_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^)+(0.0786P)^2^+22.2103P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1315
_refine_ls_wR_factor_ref         0.1445
_reflns_number_gt                1581
_reflns_number_total             2008
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA2015-424-260-266-2.cif
_cod_data_source_block           Na[1b](ClO4)2.H2O
_cod_original_cell_volume        4611.6(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1518923