Formation of zeolite-like zinc 1,3,5-benzenetriphosphonate open-frameworks by topotactic pillaring of anionic layers.
Maeda, Kazuyuki; Takamatsu, Ryohei; Mochizuki, Miki; Kawawa, Kanako; Kondo, Atsushi; Dalton transactions (Cambridge, England : 2003) 42 (2013) 10424–10432; doi:10.1039/c3dt33037k

data_7021391
_publ_section_title
;
 Formation of zeolite-like zinc 1,3,5-benzenetriphosphonate
 open-frameworks by topotactic pillaring of anionic layers.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10424
_journal_page_last               10432
_journal_paper_doi               10.1039/c3dt33037k
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C12 H6 N2 O21 P6 Zn5'
_chemical_formula_sum            'C12 H18 N2 O21 P6 Zn5'
_chemical_formula_weight         1039.015
_chemical_name_common            ZBP-NH4
_space_group_IT_number           45
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      45
_symmetry_space_group_name_Hall  'I 2 -2c'
_symmetry_space_group_name_H-M   'I b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5337(2)
_cell_length_b                   16.1764(3)
_cell_length_c                   19.9903(5)
_cell_volume                     2759.55(11)
_computing_cell_refinement       'RIETAN-FP (Izumi and Momma, 2007)'
_computing_molecular_graphics    'VESTA (Momma and Izumi, 2008)'
_computing_structure_refinement  'RIETAN-FP (Izumi and Momma, 2007)'
_computing_structure_solution    'EXPO-2009 (Altomare et al., 2009)'
_diffrn_ambient_temperature      300
_diffrn_detector                 'imaging plate'
_diffrn_measurement_device_type  Debye-Scherrer
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.99860
_diffrn_source                   synchrotron
_exptl_crystal_density_diffrn    2.5009
_exptl_crystal_F_000             2048.00
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  colorless
_pd_meas_2theta_range_inc        0.01
_pd_meas_2theta_range_max        74.00
_pd_meas_2theta_range_min        3.00
_pd_meas_number_of_points        7101
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_inc        0.0100
_pd_proc_2theta_range_max        65.0000
_pd_proc_2theta_range_min        4.5000
_pd_proc_ls_background_function  'Legendre polynomials'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     'split pseudo-Voigt function'
_pd_proc_ls_prof_R_factor        0.00570
_pd_proc_ls_prof_wR_expected     0.01085
_pd_proc_ls_prof_wR_factor       0.00749
_pd_spec_mounting                'Lindemann glass capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.6908
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    20
_refine_ls_number_parameters     111
_refine_ls_number_restraints     97
_refine_ls_R_factor_all          0.01220
_refine_ls_R_Fsqd_factor         0.01357
_refine_ls_R_I_factor            0.01958
_refine_ls_shift/su_max          0.0
_refine_ls_weighting_details     1/<i>y</i>~i~
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            c3dt33037k.txt
_cod_data_source_block           ZBP-NH4
_cod_original_cell_volume        2759.5(1)
_cod_database_code               7021391