Crystallography Open Database

Information card for entry 1561219

Preview

Coordinates	1561219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H11 Cu2 N3 O6
Calculated formula	C18 H11 Cu2 N3 O6
Title of publication	Three 3D metal coordination polymers based on triazol-functionalized rigid ligand: Synthesis, topological structure and properties
Authors of publication	Meng, Lingkun; Liu, Kang; Liang, Chen; Guo, Xiaolei; Han, Xu; Ren, Siyuan; Ma, Dingxuan; Li, Guanghua; Shi, Zhan; Feng, Shouhua
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	258
Pages of publication	56 - 63
a	8.6285 ± 0.0017 Å
b	15.218 ± 0.003 Å
c	15.538 ± 0.003 Å
α	90°
β	103.24 ± 0.03°
γ	90°
Cell volume	1986 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1293
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.1987
Weighted residual factors for all reflections included in the refinement	0.238
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
263256 (current)	2021-03-23	cif/ Adding structures of 1561217, 1561218, 1561219 via cif-deposit CGI script.	1561219.cif