Stability and decomposition of copper(i) boryl complexes: [(IDipp)Cu‒Bneop], [(IDipp*)Cu‒Bneop] and copper clusters
Drescher, Wiebke; Borner, Corinna; Kleeberg, Christian; New Journal of Chemistry 45 (2021) 14957–14964; doi:10.1039/D0NJ03166F

data_7059863
_publ_section_title
;
 Stability and decomposition of copper(i) boryl complexes:
 [(IDipp)Cu--Bneop], [(IDipp*)Cu--Bneop] and copper clusters
;
_journal_issue                   33
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              14957
_journal_page_last               14964
_journal_paper_doi               10.1039/D0NJ03166F
_journal_volume                  45
_journal_year                    2021
_chemical_formula_moiety         'C32 H46 B Cu N2 O2, C7 H8'
_chemical_formula_sum            'C39 H54 B Cu N2 O2'
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2020-06-05 deposited with the CCDC.	2020-07-28 downloaded from the CCDC.
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 CrysAlisPro, Agilent Technologies,
 Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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 CrysAlisPro, Agilent Technologies,
 Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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 CrysAlisPro, Agilent Technologies,
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_computing_molecular_graphics
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 Diamond, Crystal Impact, H. Putz and K. Brandenburg GbR, Bonn, Germany, 2020.
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 WinGX v2014.1 (L. J. Farrugia, J. Appl. Cryst., 2012, 45, 849-854.)
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 SHELXL-2014/7 (G. M. Sheldrick, Acta Cryst. (2008), A64, 112-122)'
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 SHELXT (Ver. 2014/4) (G. M. Sheldrick, Acta Cryst., 2015, A71, 3--8)
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_diffrn_measurement_device_type  'Oxford Diffraction, Xcalibur, Atlas, Nova'
_diffrn_measurement_method       \w-scan
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_diffrn_reflns_av_unetI/netI     0.1151
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_source                   'Nova (Cu) X-ray Source'
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;
 CrysAlisPro, Agilent Technologies,
 Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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 Empirical absorption correction using spherical harmonics,
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;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_density_diffrn    1.169
_exptl_crystal_description       'fragment of plate'
_exptl_crystal_F_000             1408
_exptl_crystal_recrystallization_method
;
 From a solution in PhMe layered with n-pentane at -40 deg C.
;
_exptl_crystal_size_max          0.18
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_refine_ls_R_factor_gt           0.0605
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0769P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1415
_refine_ls_wR_factor_ref         0.1582
_reflns_number_gt                14196
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7059863--7059868.cif.'
_cod_original_cell_volume        3733.7(7)
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