Crystallography Open Database

Information card for entry 7717691

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Coordinates	7717691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H48 Cl2 Cu N8 O8
Calculated formula	C28 H48 Cl2 Cu N8 O8
Title of publication	Cu(II)-mediated tautomerization for the pyrazole-nitrile coupling reaction.
Authors of publication	Hsieh, Chang-Chih; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	4
Pages of publication	1334 - 1342
a	11.8424 ± 0.0009 Å
b	23.1795 ± 0.0019 Å
c	13.7638 ± 0.0012 Å
α	90°
β	94.605 ± 0.007°
γ	90°
Cell volume	3766 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1326
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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