Reversible borohydride formation from aluminium hydrides and {H(9-BBN)}<sub>2</sub>: structural, thermodynamic and reactivity studies.
Caise, Alexa; Kolychev, Eugene L.; Hicks, Jamie; Fuentes, M Ángeles; Goicoechea, Jose M.; Aldridge, Simon; Dalton transactions (Cambridge, England : 2003) 48 (2019) 10845–10852; doi:10.1039/c9dt00535h

data_7049148
_publ_section_title
;
 Reversible borohydride formation from aluminium hydrides and
 {H(9-BBN)}<sub>2</sub>: structural, thermodynamic and reactivity studies.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10845
_journal_page_last               10852
_journal_paper_doi               10.1039/c9dt00535h
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C41 H68 Al B N4, 0.5(C7 H8)'
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_space_group_name_Hall           '-I 2ya'
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_symmetry_space_group_name_Hall  '-I 2ya'
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_audit_update_record
;
2019-02-01 deposited with the CCDC.    2019-02-25 downloaded from the CCDC.
;
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_diffrn_radiation_type           CuK\a
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.087
_exptl_crystal_description       plate
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1089P)^2^+9.3581P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1917
_refine_ls_wR_factor_ref         0.2100
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6997
_reflns_number_total             8889
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00535h2.cif
_cod_data_source_block           031acjh17_a
_cod_depositor_comments
'Adding full bibliography for 7049144--7049149.cif.'
_cod_original_formula_sum        'C44.50 H72 Al B N4'
_cod_database_code               7049148
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.880
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_shelx_res_checksum              63890