The synthesis of gallium phosphate frameworks with and without fluoride ions present: attempts to direct the synthesis of double four-ring containing materials
Wragg, David S.; Slawin, Alexandra M. Z.; Morris, Russell E.; Journal of Materials Chemistry 11 (2001) 1850–; doi:10.1039/b100471i

data_7204075
_publ_section_title
;
 The synthesis of gallium phosphate frameworks with and without
 fluoride ions present: attempts to direct the synthesis of double
 four-ring containing materials
;
_journal_issue                   7
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1850
_journal_paper_doi               10.1039/b100471i
_journal_volume                  11
_journal_year                    2001
_chemical_formula_sum            'C10 H13 F2 Ga4 N2 O17 P4'
_chemical_formula_weight         873.95
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/cifdics/cif_core2.1beta.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.1beta3
_audit_creation_date             1999-08-11T09:58:21-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 91.848(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.157(3)
_cell_length_b                   14.202(3)
_cell_length_c                   13.065(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2254.5(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_av_sigmaI/netI    0.0658
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3964
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.67
_exptl_absorpt_coefficient_mu    5.12
_exptl_absorpt_correction_T_max  0.9045
_exptl_absorpt_correction_T_min  0.9045
_exptl_crystal_density_diffrn    2.578
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1700
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.35
_refine_diff_density_min         -1.218
_refine_diff_density_rms         0.219
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         3964
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.123
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0485
_refine_ls_shift/su_max          0.116
_refine_ls_shift/su_mean         0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1437
_refine_ls_wR_factor_ref         0.1593
_reflns_number_gt                3079
_reflns_number_total             3964
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b100471i.txt
_cod_data_source_block           '[pyr,F]-GaPO-3'
_cod_original_cell_volume        2254.6(11)
_cod_database_code               7204075