Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling reaction.
Hsieh, Chang-Chih; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern; Dalton transactions (Cambridge, England : 2003) 54 (2025) 1334–1342; doi:10.1039/d4dt02904f

data_7717692
_publ_section_title
;
 Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling
 reaction.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1334
_journal_page_last               1342
_journal_paper_doi               10.1039/d4dt02904f
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C28 H48 Cl2 Cu N8 O8'
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;
2024-12-04 deposited with the CCDC.	2024-12-17 downloaded from the CCDC.
;
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_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_radiation_type           CuK\a
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.58a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
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_exptl_crystal_description       plate
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/1 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.033
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_refine_ls_R_factor_all          0.0288
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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^)+(0.0347P)^2^+0.5456P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0740
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                3392
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           2e'
_cod_depositor_comments
'Adding full bibliography for 7717689--7717702.cif.'
_cod_original_cell_volume        924.47(4)
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_shelx_shelxl_version_number     2019/1
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_shelx_res_checksum              29980