Ionothermal synthesis using a hydrophobic ionic liquid as solvent in the preparation of a novel aluminophosphate chain structure
Parnham, Emily R.; Morris, Russell E.; Journal of Materials Chemistry 16 (2006) 3682–; doi:10.1039/b610774e

data_7203599
_publ_section_title
;
 Ionothermal synthesis using a hydrophobic ionic liquid as solvent in
 the preparation of a novel aluminophosphate chain structure
;
_journal_issue                   37
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              3682
_journal_paper_doi               10.1039/b610774e
_journal_volume                  16
_journal_year                    2006
_chemical_formula_moiety         'Al F H4 O8 P2'
_chemical_formula_sum            'Al F H4 O8 P2'
_chemical_formula_weight         239.95
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 99.491(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.4494(17)
_cell_length_b                   4.7836(10)
_cell_length_c                   15.767(3)
_cell_measurement_temperature    150(2)
_cell_volume                     628.6(2)
_computing_cell_refinement       SAINT
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXL-97
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '\w rotation with narrow frames'
_diffrn_radiation_monochromator  'silicon (111)'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.69990
_diffrn_reflns_av_R_equivalents  0.0656
_diffrn_reflns_av_sigmaI/netI    0.0729
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            4222
_diffrn_reflns_theta_full        25.84
_diffrn_reflns_theta_max         25.84
_diffrn_reflns_theta_min         3.23
_exptl_absorpt_coefficient_mu    0.730
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.536
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             480
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.001
_refine_diff_density_max         0.691
_refine_diff_density_min         -0.654
_refine_diff_density_rms         0.169
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     124
_refine_ls_number_reflns         1261
_refine_ls_number_restraints     29
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0706
_refine_ls_R_factor_gt           0.0550
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0705P)^2^+0.9311P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1263
_refine_ls_wR_factor_ref         0.1376
_reflns_number_gt                1001
_reflns_number_total             1261
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b610774e.txt
_cod_data_source_block           Al[H2PO4]F
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7203599