Crystallography Open Database

Information card for entry 4518479

Preview

Coordinates	4518479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H10 Cu N5 O4
Calculated formula	C8 H10 Cu N5 O4
Title of publication	SC-SC Anion-Assisted Linker Exchange within a Three-Dimensional Cu(II)-Triazole Framework: A Luminescent Probe for S<sup>2</sup>.
Authors of publication	Wang, Ying; Gong, Shuang-Shuang; Liu, Yue; Cheng, Lin; Li, Shuang-Shuang; Zhang, Ying; Cui, Yukun; Liang, Chenlu; Tang, Li; Ren, Peng; Fang, Yu; Day, Gregory S.
Journal of publication	ACS omega
Year of publication	2021
Journal volume	6
Journal issue	2
Pages of publication	1266 - 1272
a	11.3899 ± 0.0014 Å
b	14.5663 ± 0.0015 Å
c	6.6853 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1109.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
261422 (current)	2021-02-03	cif/ Adding structures of 4518479 via cif-deposit CGI script.	4518479.cif