Methylammonium tris(galliophosphate)hydroxide
Glasser, F.P.; Howie, R.A.; Kan, Q.; Acta Crystallographica Section C 50 (1994) 848–850; doi:10.1107/S0108270193011163

data_2009787
_publ_section_title
;
 Methylammonium tris(galliophosphate)hydroxide
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              848
_journal_page_last               850
_journal_paper_doi               10.1107/S0108270193011163
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'Ga3 H1 O13 P3,C1 H6 N1'
_chemical_formula_sum            'C H7 Ga3 N O13 P3'
_chemical_formula_weight         543.15
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.257(3)
_cell_length_b                   16.941(7)
_cell_length_c                   14.130(7)
_cell_measurement_reflns_used    14
_cell_measurement_temperature    293
_cell_measurement_theta_max      14.2
_cell_measurement_theta_min      11.8
_cell_volume                     2455.3(17)
_diffrn_measurement_device       'Nicolet P3'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71005
_diffrn_reflns_av_R_equivalents  0.007
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4040
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_count 50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    6.98
_exptl_absorpt_correction_T_max  0.222
_exptl_absorpt_correction_T_min  0.140
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    2.938
_exptl_crystal_description       Needle
_exptl_crystal_size_max          0.9
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.38
_refine_diff_density_min         -1.02
_refine_ls_extinction_coef       0.00019(5)
_refine_ls_extinction_method     empirical
_refine_ls_goodness_of_fit_obs   1.0561
_refine_ls_number_parameters     123
_refine_ls_number_reflns         3087
_refine_ls_R_factor_obs          0.031
_refine_ls_shift/esd_max         0.435
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.002181F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.057
_reflns_number_observed          3087
_reflns_number_total             3495
_reflns_observed_criterion       F>6\s(F)
_cod_data_source_file            li1069.cif
_cod_data_source_block           li1069a
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-02-17

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.002181F^2^]'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/[\s^2^(F) +
0.002181F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2455(2)
_cod_original_formula_sum        'C1 H7 Ga3 N1 O13 P3'
_cod_database_code               2009787