Three sulfur-containing diborane(4) compounds
Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.; Acta Crystallographica Section C 56 (2000) 440–444; doi:10.1107/S0108270199014778

data_2010784
_publ_section_title
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 Three sulfur-containing diborane(4) compounds
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_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              440
_journal_page_last               444
_journal_paper_doi               10.1107/S0108270199014778
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'C10 H14 B2 N2 S10'
_chemical_formula_weight         504.45
_chemical_name_systematic
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2,2'-bis(dimethylamino)-2,2'-bi(1,3,4,6,2-tetrathiaborapentalene-S-thione
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_cell_length_a                   9.578(2)
_cell_length_b                   9.686(2)
_cell_length_c                   12.172(3)
_cell_measurement_reflns_used    132
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      50
_cell_measurement_theta_min      5
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_computing_cell_refinement       'SAINT (Siemens, 1995a)'
_computing_data_collection       'SMART (Siemens, 1995a)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
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_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 60
_diffrn_measured_fraction_theta_max 91
_diffrn_measurement_device       'Siemens SMART CCD area detector'
_diffrn_measurement_method       '\w rotation with narrow frame'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_sigmaI/netI    .046
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_diffrn_reflns_limit_l_min       -15
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_diffrn_standards_decay_%        <1
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_exptl_absorpt_correction_T_max  .92
_exptl_absorpt_correction_T_min  .70
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_exptl_crystal_colour            orange
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_exptl_crystal_density_meas      ?
_exptl_crystal_description       needle
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0385P)^2^] where P = [max(Fo^2^,0)+2Fc^2^]/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            bk1489.cif
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_cod_depositor_comments
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The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.0385P)^2^] where P = [max(Fo^2^,0)+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^)+(0.0385P)^2^] where P = [max(Fo^2^,0)+2Fc^2^]/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        1028.5(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2010784