Efficient removal of perchlorate ion from water by a water-insoluble M2L4 type compound.
Mochizuki, Masaru; Inoue, Tatsunari; Yamanishi, Katsunori; Koike, Shiori; Kondo, Mitsuru; Zhang, Liang; Aoki, Hiromi; Dalton transactions (Cambridge, England : 2003) 43 (2014) 17924–17927; doi:10.1039/c4dt02900c

data_7032837
_publ_section_title
;
 Efficient removal of perchlorate ion from water by a water-insoluble M2L4
 type compound.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17924
_journal_page_last               17927
_journal_paper_doi               10.1039/c4dt02900c
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C100 H112 Cu2 N16 O16 S2'
_chemical_formula_sum            'C100 H112 Cu2 N16 O16 S2'
_chemical_formula_weight         1985.29
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 126.072(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   19.508(15)
_cell_length_b                   24.484(19)
_cell_length_c                   13.377(12)
_cell_measurement_reflns_used    6425
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.65
_cell_measurement_theta_min      3.07
_cell_volume                     5164(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0620
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17632
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.522
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_T_min  0.658
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.277
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2084.00
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.600
_refine_diff_density_min         -1.020
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     357
_refine_ls_number_reflns         5173
_refine_ls_number_restraints     37
_refine_ls_R_factor_gt           0.0868
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[?^2^(Fo^2^)+(0.1065P)^2^+16.4671P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2413
_reflns_number_gt                3846
_reflns_number_total             5174
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c4dt02900c2.cif
_cod_data_source_block           1-SO4
_cod_depositor_comments
'Adding full bibliography for 7032836--7032837.cif.'
_cod_original_cell_volume        5164(8)
_cod_database_code               7032837