Solution and solid-state studies of hydrogen and halogen bonding with N-heterocyclic carbene supported nickel(II) fluoride complexes.
Thangavadivale, Vargini G.; Tendera, Lukas; Bertermann, Rüdiger; Radius, Udo; Beweries, Torsten; Perutz, Robin N.; Faraday discussions 244 (2023) 62–76; doi:10.1039/d2fd00171c

data_1568179
_publ_section_title
;
 Solution and solid-state studies of hydrogen and halogen bonding with
 N-heterocyclic carbene supported nickel(II) fluoride complexes.
;
_journal_issue                   0
_journal_name_full               'Faraday discussions'
_journal_page_first              62
_journal_page_last               76
_journal_paper_doi               10.1039/d2fd00171c
_journal_volume                  244
_journal_year                    2023
_chemical_formula_moiety         'C28 H40 F6 N4 Ni, 0.5(C6 F4 I2), C7 H8'
_chemical_formula_sum            'C38 H48 F8 I N4 Ni'
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;
2022-10-21 deposited with the CCDC.	2022-12-20 downloaded from the CCDC.
;
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_diffrn_source                   'micro-focus sealed X-ray tube'
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;
CrysAlisPro 1.171.41.112a (Rigaku Oxford Diffraction, 2021)
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
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_exptl_crystal_description       block
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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^)+(0.0471P)^2^+0.9186P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             8175
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           compound_2
_cod_depositor_comments
'Adding full bibliography for 1568178--1568180.cif.'
_cod_database_code               1568179
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.308
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