Crystallography Open Database

Information card for entry 2023481

2023480 << 2023481 >> 2023482

Preview

Coordinates	2023481.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[aqua(μ~2~-pyrazine-κ^2^<i>N</i>:<i>N</i>')(μ~2~-2,3,5,6-tetrachlorobenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)copper(II)] hemihydrate]
Formula	C24 H14 Cl8 Cu2 N4 O11
Calculated formula	C24 H14 Cl8 Cu2 N4 O11
Title of publication	Crystal structure of poly[[aqua-(μ<sub>2</sub>-pyrazine-κ<sup>2</sup> <i>N</i>:<i>N</i>')(μ<sub>2</sub>-2,3,5,6-tetra-chloro-benzene-1,4-di-car-boxyl-ato-κ<sup>2</sup> <i>O</i> <sup>1</sup>:<i>O</i> <sup>4</sup>)copper(II)] hemihydrate].
Authors of publication	Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 5
Pages of publication	429 - 432
a	10.975 ± 0.003 Å
b	6.7837 ± 0.0015 Å
c	21.803 ± 0.004 Å
α	90°
β	90.222 ± 0.014°
γ	90°
Cell volume	1623.2 ± 0.6 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299940 (current)	2025-06-03	cif/ Updating files of 2023481 Original log message: Adding full bibliography for 2023481.cif.	2023481.cif
299400	2025-04-25	cif/ Adding structures of 2023481 via cif-deposit CGI script.	2023481.cif