Crystallography Open Database

Information card for entry 8106390

Preview

Coordinates	8106390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 N4 O8 Zn
Calculated formula	C18 H12 N4 O8 Zn
Title of publication	Crystal structure of poly[(μ2-2-carboxy-5-nitroisophthalato-κ2 O:O′)-(μ2-4-((1H-imidazol-1-yl)methyl)pyridine-κ2 N:N′)zinc(II)], C18H12N4O8Zn
Authors of publication	Hong, Dong-Feng; Guo, Wen-Bo; Yin, Wei-Dong
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	6
Pages of publication	1035 - 1036
a	9.5472 ± 0.0006 Å
b	21.1662 ± 0.001 Å
c	9.6909 ± 0.0006 Å
α	90°
β	110.525 ± 0.007°
γ	90°
Cell volume	1834 ± 0.2 Å³
Cell temperature	291.2 ± 0.3 K
Ambient diffraction temperature	291.2 ± 0.3 K
Number of distinct elements	5
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	0.0441
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
279865 (current)	2022-12-13	cif/ Adding structures of 8106390 via cif-deposit CGI script.	8106390.cif