Crystallography Open Database

Information card for entry 8106898

Preview

Coordinates	8106898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 N10 O12 Zn
Calculated formula	C30 H30 N10 O12 Zn
Title of publication	Crystal structure of catena-poly[diaqua-bis(benzene-1,2,4,5-tetracarboxylato-κN)(m2-2-(1H-1,2,4-trizol-1-ylmethyl)-1H-3,1-benzimidazol-3-ium-κ2 O:O′)zinc(II)] dihydrate, C30H30N10O12Zn
Authors of publication	Jian, Shou-Jun; Liang, Zhen; Yang, Yan-Qiu; Yang, Huai-Xia
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	431 - 433
a	7.6409 ± 0.0015 Å
b	10.438 ± 0.002 Å
c	11.246 ± 0.002 Å
α	90.86 ± 0.03°
β	107.87 ± 0.03°
γ	100.22 ± 0.03°
Cell volume	837.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
281771 (current)	2023-03-09	cif/ Adding structures of 8106898 via cif-deposit CGI script.	8106898.cif