Crystallography Open Database

Information card for entry 8107569

Preview

Coordinates	8107569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H7 Br Cu N3 O2
Calculated formula	C9 H7 Br Cu N3 O2
Title of publication	Crystal structure of catena-[(μ3-bromido)-(1H-1,2,4-triazol-1-yl)benzoato-κ1 N)copper(I)], C9H7BrCuN3O2
Authors of publication	Yuan, Zhi-Min; Xia, Yu-Pei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	4
Pages of publication	807 - 808
a	3.8736 ± 0.0003 Å
b	7.5238 ± 0.0007 Å
c	18.1555 ± 0.0019 Å
α	84.581 ± 0.001°
β	88.166 ± 0.002°
γ	81.551 ± 0.001°
Cell volume	520.96 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 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	0.0463
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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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