Three β-octamolybdate-based supramolecular hybrids constructed from a bis-imidazolyl-bis-amide ligand: fast and selective adsorption activities of organic dyes
Wang, Xiu-Li; Zhang, Shan; Wang, Xiang; Zhang, Hui-Xiu; Xu, Na; Li, Tian-Jiao; New J. Chem. 41 (2017) 2178–; doi:10.1039/C6NJ03573F

data_7055973
_publ_section_title
;
 Three \b-octamolybdate-based supramolecular hybrids constructed from a
 bis-imidazolyl-bis-amide ligand: fast and selective adsorption activities
 of organic dyes
;
_journal_issue                   5
_journal_name_full               'New J. Chem.'
_journal_page_first              2178
_journal_paper_doi               10.1039/C6NJ03573F
_journal_volume                  41
_journal_year                    2017
_chemical_formula_sum            'C14 H22 Mo4 N6 O17 Zn'
_chemical_formula_weight         995.51
_chemical_name_systematic
; 
 ? 
;
_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
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-11-11 deposited with the CCDC.
2017-01-26 downloaded from the CCDC.
;
_cell_angle_alpha                91.417(2)
_cell_angle_beta                 102.778(2)
_cell_angle_gamma                96.494(2)
_cell_formula_units_Z            2
_cell_length_a                   9.8239(10)
_cell_length_b                   11.5351(12)
_cell_length_c                   12.3691(13)
_cell_measurement_temperature    293(2)
_cell_volume                     1356.4(2)
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXTL (1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0276
_diffrn_reflns_av_unetI/netI     0.0645
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            9934
_diffrn_reflns_theta_full        28.22
_diffrn_reflns_theta_max         28.22
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    2.758
_exptl_absorpt_correction_T_max  0.5695
_exptl_absorpt_correction_T_min  0.5456
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.437
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             964
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.220
_refine_diff_density_min         -0.979
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_hydrogen_treatment    costr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         6640
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0401
_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^)+(0.0402P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0779
_refine_ls_wR_factor_ref         0.0910
_reflns_number_gt                4402
_reflns_number_total             6640
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6nj03573f2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7055973--7055975.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7055973