Solvothermal synthesis and structural relations among three anionic aluminophosphates; catalytic behaviour
M. Eloísa Medina; M. Iglesias; E. Gutiérrez-Puebla; M. Angeles Monge; J. Mater. Chem. 14 (2004) 845–850; doi:10.1039/b311618b

data_7204750
_publ_section_title
;
 Solvothermal synthesis and structural relations among three anionic
 aluminophosphates; catalytic behaviour
;
_journal_issue                   5
_journal_name_full               'J. Mater. Chem.'
_journal_page_first              845
_journal_page_last               850
_journal_paper_doi               10.1039/b311618b
_journal_volume                  14
_journal_year                    2004
_chemical_formula_sum            'Al2 H12 N3 O12 P3'
_chemical_formula_weight         392.99
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.407(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.261(3)
_cell_length_b                   10.255(2)
_cell_length_c                   8.8627(19)
_cell_measurement_temperature    293(2)
_cell_volume                     1122.1(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.809
_diffrn_measured_fraction_theta_max 0.809
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1037
_diffrn_reflns_av_sigmaI/netI    0.1702
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       3
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            1867
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         3.13
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.764
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.326
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.730
_refine_diff_density_min         -0.661
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.975
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     108
_refine_ls_number_reflns         1129
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.975
_refine_ls_R_factor_all          0.1375
_refine_ls_R_factor_gt           0.0722
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0529P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1237
_refine_ls_wR_factor_ref         0.1433
_reflns_number_gt                670
_reflns_number_total             1129
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b311618b.txt
_cod_data_source_block           mm30
_cod_original_cell_volume        1122.2(4)
_cod_original_formula_sum        'H12 Al2 N3 O12 P3'
_cod_database_code               7204750