Supramolecular Soft-Soft Interactions of Diiodo(tert-butyl)(isopropyl)phosphonium Cations with μ~2~- to μ~5~-Bridging Iodide Anions. Formation of Chains, Helices, and Columnar Structures
Volkmar Stenzel; Jörg Jeske; Wolf-Walther du Mont; Peter G. Jones; Inorganic Chemistry 36 (1997) 443–448; doi:10.1021/ic9603058

data_4323301
_publ_contact_author
;
      Jones, Peter G.
      Institut f\"ur Analytische und Anorganische Chemie
      Technische Universit\"at Braunschweig
      Postfach 3329
      38023 Braunschweig
      Germany
;
_publ_contact_author_email       P.Jones@tu-bs.de
_publ_contact_author_fax         '049 531 391-5387'
_publ_contact_author_phone       '049 531 391-5382'
_publ_section_title
;
 Supramolecular Soft-Soft Interactions of
 Diiodo(tert-butyl)(isopropyl)phosphonium Cations with \m~2~- to
 \m~5~-Bridging Iodide Anions. Formation of Chains, Helices, and Columnar
 Structures
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              443
_journal_page_last               448
_journal_paper_doi               10.1021/ic9603058
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'C21 H48 I13 P3'
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_symmetry_space_group_name_Hall  '-P 2ybc'
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_cell_length_c                   9.477(3)
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_cell_measurement_theta_min      10
_cell_volume                     4932(3)
_computing_cell_refinement       'SIEMENS P3'
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_computing_molecular_graphics    'SIEMENS XP'
_computing_publication_material  'SHELXL-92 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-92 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'SIEMENS R3'
_diffrn_measurement_method       Omega-Scans
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_diffrn_radiation_source         'fine-focus sealed tube'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0651P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_obs         0.1047
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_reflns_number_total             11382
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9603058_4.cif
_cod_data_source_block           sectio
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to the
built-in table from CIF Core dictionary named 'cif_core.dic' version
2.4.1 from 2010-06-29 (37 times).

'_geom_angle_publ_flag' value 'Y'
changed to 'y' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (62
times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0651P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' 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^(Fo^2^)+(0.0651P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4931.5(29)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4323301