Nickel boryl complexes and nickel-catalyzed alkyne borylation.
Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo; Chemical science 14 (2023) 2215–2228; doi:10.1039/d2sc04690c

data_1568337
_publ_section_title
;
 Nickel boryl complexes and nickel-catalyzed alkyne borylation.
;
_journal_issue                   8
_journal_name_full               'Chemical science'
_journal_page_first              2215
_journal_page_last               2228
_journal_paper_doi               10.1039/d2sc04690c
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C30 H54 N4 Ni'
_chemical_formula_sum            'C30 H54 N4 Ni'
_chemical_formula_weight         529.48
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_space_group_name_Hall           '-C 2yc'
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_audit_update_record
;
2022-08-20 deposited with the CCDC.	2023-01-27 downloaded from the CCDC.
;
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_computing_cell_refinement       'CrysAlisPro 1.171.40.45a (Rigaku OD, 2019)'
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_diffrn_ambient_temperature      100.00(10)
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_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_radiation_monochromator  mirror
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_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
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_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.49a (Rigaku Oxford Diffraction, 2019)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.188
_exptl_crystal_description       block
_exptl_crystal_F_000             1160
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_exptl_crystal_size_min          0.284
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0526P)^2^+5.2190P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1115
_refine_ls_wR_factor_ref         0.1132
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2861
_reflns_number_total             3034
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2sc04690c2.cif
_cod_data_source_block           compound_1c
_cod_depositor_comments
'Adding full bibliography for 1568336--1568351.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1568337
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              36930
_shelx_hkl_checksum              5568