Crystallography Open Database

Information card for entry 8107666

Preview

Coordinates	8107666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 N7 O4 Zn
Calculated formula	C18 H15 N7 O4 Zn
Title of publication	The crystal structure of catena-poly[(μ 2-2H-1,2,3-triazole-4,5-dicarboxylato-κ 2 O, O′)-(μ 2-1,3-bis((1H-imidazol-1-yl)methyl)benzene-κ 2 N,N′) zinc(II)], C18H15N7O4Zn
Authors of publication	Mao, Qian; Wang, Yanfei; Zhang, Zhonghua; Ji, Jinlan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	6
Pages of publication	1081 - 1083
a	9.11 ± 0.0008 Å
b	10.6451 ± 0.0007 Å
c	12.0479 ± 0.0008 Å
α	95.238 ± 0.005°
β	112.154 ± 0.007°
γ	112.971 ± 0.007°
Cell volume	956.55 ± 0.16 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 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	0.0303
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
287754 (current)	2023-11-23	cif/ Adding structures of 8107666 via cif-deposit CGI script.	8107666.cif