Volatility, High Thermal Stability, and Low Melting Points in Heavier Alkaline Earth Metal Complexes Containing Tris(pyrazolyl)borate Ligands
Saly, Mark J.; Heeg, Mary Jane; Winter, Charles H.; Inorganic Chemistry 48 (2009) 5303–5312; doi:10.1021/ic900342j

data_4302357
_publ_section_title
;
 Volatility, High Thermal Stability, and Low Melting Points in Heavier
 Alkaline Earth Metal Complexes Containing Tris(pyrazolyl)borate Ligands
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   12
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5303
_journal_page_last               5312
_journal_paper_doi               10.1021/ic900342j
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C42 H68 B2 Ba N12'
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_cell_angle_gamma                90.00
_cell_formula_units_Z            4
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_cell_length_b                   12.9047(4)
_cell_length_c                   21.9773(6)
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_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    SHELXTL-Plus
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_diffrn_ambient_temperature      100(2)
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_exptl_absorpt_coefficient_mu    0.917
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_exptl_absorpt_correction_T_min  0.8672
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_exptl_absorpt_process_details   'SADABS, Sheldrick, 1997'
_exptl_crystal_colour            colorless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0440P)^2^+1.8527P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             11823
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             4338628
_cod_data_source_file            ic900342j_si_001_1.cif
_cod_data_source_block           ably(7)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4302357