Crystallography Open Database

Information card for entry 7717689

Preview

Coordinates	7717689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 Cl4 Cu N6 O8
Calculated formula	C10 H12 Cl4 Cu N6 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	7.0595 ± 0.0002 Å
b	7.7575 ± 0.0002 Å
c	9.7194 ± 0.0003 Å
α	81.015 ± 0.002°
β	84.024 ± 0.002°
γ	68.617 ± 0.002°
Cell volume	488.91 ± 0.03 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	0.88
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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