Selective formation of gold(i) bis-phospholane macrocycles, polymeric chains, and nanotubes.
Streitberger, Markus; Schmied, Andy; Hey-Hawkins, Evamarie; Inorganic chemistry 53 (2014) 6794–6804; doi:10.1021/ic5006055

data_4340013
_publ_section_title
;
 Selective formation of gold(i) bis-phospholane macrocycles, polymeric
 chains, and nanotubes.
;
_journal_issue                   13
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6794
_journal_page_last               6804
_journal_paper_doi               10.1021/ic5006055
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C39 H78 Au2 B2 Cl2 F8 P4'
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 ?
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_cell_formula_units_Z            2
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
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_computing_data_collection
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
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_computing_data_reduction
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        CrysAlisPro, Agilent Technologies,
        Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
        (compiled Dec  3 2012,18:21:49)
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_computing_molecular_graphics    'ORTEP3 for Windows (L. J. Farrugia, 1997)'
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_diffrn_ambient_temperature      130(2)
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_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
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_diffrn_orient_matrix_UB_21      -0.0298372
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_diffrn_orient_matrix_UB_31      0.0577404
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_diffrn_radiation_monochromator  graphite
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        CrysAlisPro, Agilent Technologies,
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        Empirical absorption correction using spherical harmonics,
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;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needles
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_exptl_crystal_size_max          0.5
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_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0365P)^2^+1.3403P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0922
_refine_ls_wR_factor_ref         0.1011
_reflns_number_gt                12353
_reflns_number_total             16365
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic5006055_si_003.cif
_cod_data_source_block           x1783fin
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4340012--4340022.cif.
;
_cod_original_cell_volume        2681.82(15)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4340013