Ammonium <i>cyclo</i>-octaphosphate–telluric acid dihydrate adduct
Averbuch-Pouchot, M.-T.; Durif, A.; Acta Crystallographica Section C 49 (1993) 361–363; doi:10.1107/S0108270192009466

data_2001994
_publ_section_title
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 Ammonium <i>cyclo</i>-octaphosphate--telluric acid dihydrate adduct
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_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              361
_journal_page_last               363
_journal_paper_doi               10.1107/S0108270192009466
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'H32 N8 O24 P8,H6 O6 Te,2(H2 O)'
_chemical_formula_sum            'H42 N8 O32 P8 Te'
_chemical_formula_weight         1041.752
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                117.15(4)
_cell_angle_beta                 109.72(4)
_cell_angle_gamma                90.54(4)
_cell_formula_units_Z            2
_cell_length_a                   15.146(6)
_cell_length_b                   11.049(6)
_cell_length_c                   12.189(6)
_cell_measurement_reflns_used    18
_cell_measurement_temperature    295
_cell_measurement_theta_max      12
_cell_measurement_theta_min      10
_cell_volume                     1676(4)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Ag K\a'
_diffrn_radiation_wavelength     0.5608
_diffrn_reflns_av_R_equivalents  0.014
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            12440
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count '400 (orientation)'
_diffrn_standards_interval_time  '60 (intensity)'
_diffrn_standards_number         '2 orientation, 2 intensity'
_exptl_absorpt_coefficient_mu    0.741
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.064
_exptl_crystal_description       'Elongated prism'
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.17
_refine_diff_density_min         -0.65
_refine_ls_extinction_coef       3.57E-8
_refine_ls_extinction_method     'Stout & Jensen (1968)'
_refine_ls_goodness_of_fit_obs   1.559
_refine_ls_hydrogen_treatment    'H atoms refined with B~iso~'
_refine_ls_number_parameters     611
_refine_ls_number_reflns         '6268 [I>4\s(I)]'
_refine_ls_R_factor_obs          0.031
_refine_ls_shift/esd_max         '0.20 [B of H(3N5)]'
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.033
_reflns_number_observed          6603
_reflns_number_total             11957
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            pa1019.cif
_cod_data_source_block           pa1019_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1' was changed to 'unit'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_database_code               2001994