Co-templating ionothermal synthesis and structure characterization of two new 2D layered aluminophosphates.
Wei, Ying; Marler, Bernd; Zhang, Ling; Tian, Zhijian; Graetsch, Heribert; Gies, Hermann; Dalton transactions (Cambridge, England : 2003) 41 (2012) 12408–12415; doi:10.1039/c2dt31150j

data_7020268
_publ_section_title
;
 Co-templating ionothermal synthesis and structure characterization of two
 new 2D layered aluminophosphates.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12408
_journal_page_last               12415
_journal_paper_doi               10.1039/c2dt31150j
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C12 H32 Al3 N4 O17 P4'
_chemical_formula_weight         711
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                70.585(1)
_cell_angle_beta                 99.547(2)
_cell_angle_gamma                119.438(2)
_cell_formula_units_Z            2
_cell_length_a                   12.9165(2)
_cell_length_b                   13.0460(2)
_cell_length_c                   9.8873(2)
_cell_measurement_temperature    297
_cell_volume                     1368.47(5)
_diffrn_ambient_temperature      297
_diffrn_measurement_device_type  'Siemens D5000 powder diffractometer'
_diffrn_radiation_monochromator  germanium
_diffrn_radiation_type           'Cu K\a1'
_diffrn_radiation_wavelength     1.540600
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_process_details
;
No correction is applied.
;
_exptl_crystal_density_diffrn    1.727
_exptl_crystal_density_method    'not measured'
_pd_char_colour                  white
_pd_char_particle_morphology     plate
_pd_meas_2theta_range_inc        0.007903
_pd_meas_2theta_range_max        94.99680
_pd_meas_2theta_range_min        7.05400
_pd_meas_number_of_points        11133
_pd_meas_scan_method             step
_pd_prep_temperature             297
_pd_proc_2theta_range_inc        0.007903
_pd_proc_2theta_range_max        95.0284
_pd_proc_2theta_range_min        7.0856
_pd_proc_info_data_reduction     FULLPROF
_pd_proc_info_excluded_regions   none
_pd_proc_ls_background_function
;
Linear Interpolation of background points
;
_pd_proc_ls_profile_function
;
Thompson--Cox--Hastings pseudo-Voigt Axial divergence asymmetry
;
_pd_proc_ls_prof_R_factor        1.9097
_pd_proc_ls_prof_wR_expected     1.6656
_pd_proc_ls_prof_wR_factor       2.5357
_pd_proc_wavelength              1.540600
_pd_spec_mounting
;
glass capillary with 0.3mm diameter
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_diff_density_max         0.116
_refine_diff_density_min         -0.115
_refine_ls_goodness_of_fit_all   1.522
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     145
_refine_ls_number_reflns         2674
_refine_ls_number_restraints     121
_refine_ls_R_I_factor            2.3784
_cod_data_source_file            c2dt31150j.txt
_cod_data_source_block           RUB-A2
_cod_original_cell_volume        1368.46(4)
_cod_database_code               7020268
_pd_proc_ls_prof_cr_factor       7.0796
_pd_proc_ls_prof_cwr_factor      7.2602
_pd_proc_ls_prof_cwr_expected    4.7689
_pd_proc_ls_prof_chi2            2.3178
_pd_proc_ls_prof_echi2           2.3178