Crystallography Open Database

Information card for entry 2023257

2023256 << 2023257 >> 2023258

Preview

Coordinates	2023257.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[μ-chlorido-μ-(2,3-dimethylpyrazine)-copper(I)] ethanol hemisolvate]
Formula	C7 H11 Cl Cu N2 O0.5
Calculated formula	C7 H11 Cl Cu N2 O0.5
Title of publication	Synthesis and crystal structure of poly[[μ-chlorido-μ-(2,3-dimethylpyrazine)-copper(I)] ethanol hemisolvate], which shows a new isomeric CuCl(2,3-dimethylpyrazine) network
Authors of publication	Näther, Christian; Jess, Inke
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	10
a	7.0557 ± 0.0005 Å
b	14.5923 ± 0.0008 Å
c	17.4171 ± 0.0013 Å
α	90°
β	92.253 ± 0.009°
γ	90°
Cell volume	1791.9 ± 0.2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170.15 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	0.0558
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0917
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294883 (current)	2024-09-25	cif/ Adding structures of 2023257 via cif-deposit CGI script.	2023257.cif