Safe P4 reagent in a reusable porous coordination network.
Choi, Wanuk; Ohtsu, Hiroyoshi; Matsushita, Yoshitaka; Kawano, Masaki; Dalton transactions (Cambridge, England : 2003) 45 (2016) 6357–6360; doi:10.1039/c6dt00860g

data_7038833
_publ_section_title
;
 Safe P4 reagent in a reusable porous coordination network.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6357
_journal_page_last               6360
_journal_paper_doi               10.1039/c6dt00860g
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C36 I6 N12 P3.76 Zn3'
_chemical_formula_weight         1674.50
_chemical_name_systematic        ' ?'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_audit_update_record
;
2016-02-03 deposited with the CCDC.
2016-03-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.488(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.7069(3)
_cell_length_b                   30.5552(8)
_cell_length_c                   6.5079(2)
_cell_measurement_reflns_used    10534
_cell_measurement_temperature    134(2)
_cell_measurement_theta_max      33.9962
_cell_measurement_theta_min      2.5026
_cell_volume                     2515.19(12)
_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    DASH
_diffrn_ambient_temperature      134(2)
_diffrn_measurement_device_type  IP
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.652970
_diffrn_source                   synchrotron
_diffrn_source_type              'SPring-8 BL15XU'
_exptl_absorpt_coefficient_mu    4.140
_exptl_crystal_density_diffrn    2.211
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1484.70
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  'pale green'
_pd_meas_2theta_range_inc        0.0030
_pd_meas_2theta_range_max        33.9962
_pd_meas_2theta_range_min        2.5026
_pd_meas_number_of_points        10534
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.0030
_pd_proc_2theta_range_max        33.9962
_pd_proc_2theta_range_min        2.5026
_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        0.04340
_pd_proc_ls_prof_wR_expected     0.31218
_pd_proc_ls_prof_wR_factor       0.05067
_pd_proc_wavelength              0.65297
_pd_spec_mounting                capillary
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_diff_density_max         0.0
_refine_diff_density_min         0.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.1623
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_constraints    36
_refine_ls_number_parameters     270
_refine_ls_number_restraints     136
_refine_ls_R_factor_all          0.01782
_refine_ls_R_Fsqd_factor         0.01783
_refine_ls_R_I_factor            0.04738
_refine_ls_shift/su_max          1.0E-6
_refine_ls_weighting_details     1/<i>y</i>~i~
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            c6dt00860g2.cif
_cod_data_source_block           P4_network_P21_m
_cod_depositor_comments
'Adding full bibliography for 7038831--7038834.cif.'
_cod_original_cell_volume        2515.2(1)
_cod_database_code               7038833