Crystallography Open Database

Information card for entry 8107659

Preview

Coordinates	8107659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H6 Cu I N O6
Calculated formula	C7 H6 Cu I N O6
Title of publication	The crystal structure of catena-poly[aqua-(4-iodopyridine-2,6-dicarboxylato-κ 3 N,O,O ′)-copper(II)] monohydrate, C7H6NO6ICu
Authors of publication	Kong, Yang; Lu, ChenFei; Wang, Chang-Zhao; Tian, Bin; Dang, YiXuan; Han, ZiHao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	6
Pages of publication	1057 - 1059
a	9.7229 ± 0.0004 Å
b	5.1728 ± 0.0002 Å
c	20.8336 ± 0.0008 Å
α	90°
β	97.636 ± 0.004°
γ	90°
Cell volume	1038.53 ± 0.07 Å³
Cell temperature	292.7 ± 0.3 K
Ambient diffraction temperature	292.7 ± 0.3 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	0.0319
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0687
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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

Version history

Revision	Date	Message	Files
287732 (current)	2023-11-22	cif/ Adding structures of 8107659 via cif-deposit CGI script.	8107659.cif