Dicarba-closo-dodecaborane(12) derivatives of phosphonium salts: easy formation of nido-carborane phosphonium zwitterions.
Ioppolo, Joseph A.; Clegg, Jack K.; Rendina, Louis M.; Dalton transactions (Cambridge, England : 2003)  (2007) 1982–1985; doi:10.1039/b700689f

data_7005326
_publ_section_title
;
 Dicarba-closo-dodecaborane(12) derivatives of phosphonium salts: easy
 formation of nido-carborane phosphonium zwitterions.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1982
_journal_page_last               1985
_journal_paper_doi               10.1039/b700689f
_journal_year                    2007
_chemical_formula_moiety         'C15 H24 B9 P'
_chemical_formula_sum            'C15 H24 B9 P'
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_chemical_name_systematic
;
?
;
_space_group_IT_number           14
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_symmetry_space_group_name_Hall  '-P 2ybc'
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_cell_angle_alpha                90.00
_cell_angle_beta                 102.805(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
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_cell_length_c                   17.547(2)
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_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      2.6605
_cell_volume                     1843.2(4)
_computing_cell_refinement       'SAINT (Bruker-Nonius, 2003)'
_computing_data_collection       'APEX (Bruker-Nonius, 2003)'
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'SAINT (Bruker-Nonius, 2003), XPREP (Bruker-Nonius, 2003)'
_computing_molecular_graphics
;ORTEP-3 (Farrugia, 1997)
WINGX-32 (Farrugia, 1999)
POV-Ray 3.5 (Cason, 2002)
WebLab ViewerPro 3.7 (Molecular Simulations, 2000)
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_computing_publication_material  'enCIFer 1.1 (CCDC, 2005)'
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_computing_structure_solution    'SIR97 (Altomare, et. al. 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  APEXII-FR591
_diffrn_measurement_method       \w+\f
_diffrn_radiation_monochromator  graphite
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_diffrn_standards_decay_%        0
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_diffrn_standards_interval_time  0
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_exptl_crystal_colour            colourless
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_refine_ls_R_factor_all          0.0590
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0632P)^2^+0.8298P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4587
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_reflns_threshold_expression     >2sigma(I)
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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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:
data name '_intl_tables_symmetry_no' replaced with
'_symmetry_Int_Tables_number' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 4998 2017-03-02 13:24:31Z antanas 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7005326