Gallium-boron donor-acceptor bonds.
Hardman, N. J.; Power, P. P.; Gorden, J. D.; Macdonald, C. L.; Cowley, A. H.; Chemical communications (Cambridge, England)  (2001) 1866–1867; doi:10.1039/b106599h

data_7125489
_publ_section_title
;
 Gallium-boron donor-acceptor bonds.
;
_journal_issue                   18
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1866
_journal_page_last               1867
_journal_paper_doi               10.1039/b106599h
_journal_year                    2001
_chemical_compound_source        Selfmade
_chemical_formula_analytical     'C28 H15 B F15 Ga'
_chemical_formula_moiety         'C28 H15 B F15 Ga'
_chemical_formula_structural     'C28 H15 B F15 Ga'
_chemical_formula_sum            'C28 H15 B F15 Ga'
_chemical_formula_weight         716.93
_chemical_name_common            'Cp*Ga-perfluorophenylborane adduct'
_chemical_temperature_decomposition 403(5)
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
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_cell_angle_alpha                90.00
_cell_angle_beta                 93.67(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.222(2)
_cell_length_b                   24.000(5)
_cell_length_c                   12.063(2)
_cell_measurement_reflns_used    n/a
_cell_measurement_temperature    133(2)
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_computing_data_collection       'Collect software, Nonius B.V. 1998'
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_computing_molecular_graphics    'SHELXTL-Plus, XP, Siemens, 1994'
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_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measurement_device       'Nonius KAPPA-CCD'
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_exptl_crystal_density_meas      ?
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_exptl_crystal_description       parallelepiped
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_exptl_crystal_size_max          0.3
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_exptl_crystal_size_min          0.2
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_refine_ls_restrained_S_obs      1.774
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_obs          0.0332
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0359P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_obs         0.0910
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_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b106599h.txt
_cod_data_source_block           p21c
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_chemical_melting_point' was changed to
'_chemical_temperature_decomposition' since the value had been given
as '125-135 C dec'. The value was changed to '403(5)' -- it was
converted from degrees Celsius(C) to Kelvins(K), the average value
was taken and precision was estimated.

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_density_meas' value 'n/a' was changed to
'?' -- the value is perceived as not measured.

data item '_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0359P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. A new data item '_refine_ls_weighting_details' was
created with the value set to
'w=1/[\s^2^(Fo^2^)+(0.0359P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        2664.5(9)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7125489