Structures of relevant ammonium salts in fertilizers
Montejo-Bernardo, J. M.; García-Granda, S.; Fernández-González, A.; Acta Crystallographica Section B 66 (2010) 358–365; doi:10.1107/S0108768110015430

data_2104758
_publ_section_title
;
 Structures of relevant ammonium salts in fertilizers
;
_journal_coeditor_code           KD5044
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              358
_journal_page_last               365
_journal_paper_doi               10.1107/S0108768110015430
_journal_volume                  66
_journal_year                    2010
_chemical_formula_moiety         'O4 S, 4(H4 N), 2(N O3)'
_chemical_formula_sum            'H16 N6 O10 S'
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_chemical_name_common            '2NA SA double salt'
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_computing_cell_refinement       CrysAlisPro
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_computing_molecular_graphics
;
ORTEP-3 (L.J. Farrugia, 1997)
Mercury 2.2
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
;
Patterson method using DIRDIF-99 (P.T. Beurskens et al., 1999)
;
_diffrn_ambient_temperature      100(2)
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_exptl_absorpt_process_details
;
CrysAlispro, Oxford Diffraction Ltd.
;
_exptl_crystal_colour            colourless
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_refine_ls_structure_factor_coef Fsqd
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'calc w=1/[\s^2^(Fo^2^)+(0.0344P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_angle_publ_flag' value 'YES' changed to 'yes'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (36
times).

'_geom_bond_publ_flag' value 'YES' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (26 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1130.16(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2104758