Bis(ammonium) tris(hexaaquamagnesium) tetrakis(hydrogen phosphite)
Abdallah, Khaoulani Idrissi; Mohamed, Saadi; Mohamed, Rafiq; Abdelhalim, Guelzim; Acta Crystallographica Section C 62 (2006) i43–i45; doi:10.1107/S0108270106008882

data_2015342
_publ_section_title
;
 Bis(ammonium) tris(hexaaquamagnesium) tetrakis(hydrogen phosphite)
;
_journal_coeditor_code           BC1091
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i43
_journal_page_last               i45
_journal_paper_doi               10.1107/S0108270106008882
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '(N H4)2 [Mg (H2 O)6]3 (H P O3)4'
_chemical_formula_moiety         '2H4 N + , 3H12 Mg O6 2+ , 4H O3 P 2-'
_chemical_formula_structural     '0.75(H12 Mg O6) , (H O3 P) , 0.5(H4 N)'
_chemical_formula_sum            'H48 Mg3 N2 O30 P4'
_chemical_formula_weight         753.21
_chemical_name_common
'diammonium trimagnesium hydrogenophosphite hexahydrate'
_chemical_name_systematic
;
Bis(ammonium) tris(hexaaquamagnesium) tetrakis(hydrogen phosphite)
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 91.349(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   34.364(9)
_cell_length_b                   7.045(2)
_cell_length_c                   6.1736(17)
_cell_measurement_reflns_used    1017
_cell_measurement_temperature    289(2)
_cell_measurement_theta_max      25.26
_cell_measurement_theta_min      3.0
_cell_volume                     1494.2(7)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1993)'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            6601
_diffrn_reflns_theta_full        26.408
_diffrn_reflns_theta_max         29.26
_diffrn_reflns_theta_min         3.56
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.426
_exptl_absorpt_correction_T_max  0.899
_exptl_absorpt_correction_T_min  0.761
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS: Sheldrick, 1996)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             796
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.287
_refine_diff_density_min         -0.388
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     158
_refine_ls_number_reflns         2083
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_gt           0.0330
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0478P)^2^+0.9053P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0915
_reflns_number_gt                1677
_reflns_number_total             2083
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bc1091.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               2015342
_cod_database_fobs_code          2015342