Self-assembled construction of a sheet-type coordination polymer bearing cationic M2L4 cages: creation of channel-like space for removal of ClO4(-) and NO3(-) from aqueous solutions.
Sone, Eriko; Sato, Moeko; Yamanishi, Katsunori; Kamio, Chihiro; Takemoto, Hiroyuki; Kondo, Mitsuru; Dalton transactions (Cambridge, England : 2003) 45 (2016) 894–898; doi:10.1039/c5dt03602j

data_7037583
_publ_section_title
;
 Self-assembled construction of a sheet-type coordination polymer bearing
 cationic M2L4 cages: creation of channel-like space for removal of
 ClO4(-) and NO3(-) from aqueous solutions.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              894
_journal_page_last               898
_journal_paper_doi               10.1039/c5dt03602j
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C158 H179 Cl6 Cu3 N25 O10'
_chemical_formula_sum            'C158 H179 Cl6 Cu3 N25 O10'
_chemical_formula_weight         2991.67
_space_group_IT_number           85
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      85
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'CrystalStructure 4.1'
_audit_update_record
;
2015-10-21 deposited with the CCDC.
2015-11-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   16.3153(19)
_cell_length_b                   16.3153(19)
_cell_length_c                   30.680(6)
_cell_measurement_reflns_used    16152
_cell_measurement_temperature    173
_cell_measurement_theta_max      31.43
_cell_measurement_theta_min      2.21
_cell_volume                     8167(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_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    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0815
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            113821
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.547
_exptl_absorpt_correction_T_max  0.968
_exptl_absorpt_correction_T_min  0.800
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.217
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3142.00
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.900
_refine_diff_density_min         -0.500
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     513
_refine_ls_number_reflns         7948
_refine_ls_number_restraints     31
_refine_ls_R_factor_gt           0.0755
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\w^2^(Fo^2^)+(0.0172P)^2^+28.7512P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1521
_reflns_number_gt                7211
_reflns_number_total             7948
_reflns_threshold_expression     F^2^>2.0\w(F^2^)
_cod_data_source_file            c5dt03602j2.cif
_cod_data_source_block           Compound-1
_cod_depositor_comments          'Adding full bibliography for 7037583.cif.'
_cod_original_sg_symbol_H-M      'P 4/n'
_cod_database_code               7037583