Crystallography Open Database

Information card for entry 8107186

Preview

Coordinates	8107186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 Cu N6 O4
Calculated formula	C14 H8 Cu N6 O4
Title of publication	The crystal structure of bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ 2 N,O)-copper(ii), C14H8N6O4Cu
Authors of publication	Hong, Dong-Feng; Chen, Ye; Zhu, Wen-Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	4
Pages of publication	679 - 680
a	15.6054 ± 0.0008 Å
b	7.0441 ± 0.0003 Å
c	12.6301 ± 0.0006 Å
α	90°
β	108.55 ± 0.005°
γ	90°
Cell volume	1316.25 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0778
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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