Halide anion directed assembly of luminescent pseudorotaxanes.
Curiel, David; Beer, Paul D; Paul, Rowena L; Cowley, Andrew; Sambrook, Mark R; Szemes, Fridrich; Chemical communications (Cambridge, England)  (2004) 1162–1163; doi:10.1039/b401900h

data_7102638
_publ_section_title
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 Halide anion directed assembly of luminescent pseudorotaxanes.
;
_journal_issue                   10
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1162
_journal_page_last               1163
_journal_paper_doi               10.1039/b401900h
_journal_year                    2004
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?
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_chemical_name_systematic
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?
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_space_group_IT_number           14
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_computing_cell_refinement
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KappaCCD software 'DENZO' (Otwinowski & Minor, 1996)
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_computing_data_collection
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KappaCCD software 'Collect' (Nonius, 2000)
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_computing_data_reduction
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KappaCCD software 'DENZO' (Otwinowski & Minor, 1996)
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_computing_publication_material
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CRYSTALS (Watkin et al, 2001)
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_computing_structure_refinement
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CRYSTALS (Watkin et al, 2001)
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_computing_structure_solution    'SIR92 (Giacovazzo et al, 1992)'
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Nonius KappaCCD
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_diffrn_measurement_method       \w
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_diffrn_reflns_theta_max         27.482
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Denzo/Scalepack (Otwinowski & Minor, 1996)
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;
Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982)
[weight] = 1.0/[A~0~*T~0~(x)+A~1~*T~1~(x) ... +A~n-1~]*T~n-1~(x)]
where A~i~ are the Chebychev coefficients listed below and x= Fcalc/Fmax
Method = Robust Weighting (Prince, 1982)
W = [weight] * [1-(deltaF/6*sigmaF)^2^]^2^
A~i~ are:
1.70 1.29 1.28
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_refine_ls_weighting_scheme      calc
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_cod_data_source_file            b401900h.txt
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_cod_depositor_comments
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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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
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_cod_original_sg_symbol_H-M      'P 1 21/c 1 '
_cod_original_formula_sum        ' C59.23 H74.45 Cl2.45 N7 O14 Re1 '
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