Tetra(4-methoxyphenyl)phosphonium Iodide: A Twinned Crystal Built Up with Three-Dimensional Octupolar Nonlinear Optical Chromophores
Bourgogne, Cyril; Fur, Yvette Le; Juen, Patrick; Masson, Patrick; Nicoud, Jean-François; Masse, René; Chemistry of Materials 12 (2000) 1025–1033; doi:10.1021/cm991155c

data_4000030
_publ_section_title
;
 Tetra(4-methoxyphenyl)phosphonium Iodide: A Twinned Crystal Built Up
 with Three-Dimensional Octupolar Nonlinear Optical Chromophores
;
_journal_coden_ASTM              CMATEX
_journal_issue                   4
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1025
_journal_page_last               1033
_journal_paper_doi               10.1021/cm991155c
_journal_volume                  12
_journal_year                    2000
_chemical_formula_moiety         '[(C7H7O)4 P1] I1'
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_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
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_cell_length_c                   25.682(6)
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_cell_volume                     2635.9(9)
_computing_cell_refinement       'Nonius Kappa CCD'
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_computing_data_reduction        'teXsan for Windows (MSC, 1997)'
_computing_publication_material  'teXsan for Windows (MSC, 1997)'
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_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00002|Fo|^2^]'
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_reflns_threshold_expression     I>1.20\s(I)
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_cod_data_source_block           '_Template_texray.inf'
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C28 H28 O4 P1 I1 '
_cod_database_code               4000030