Crystallography Open Database

Information card for entry 1557734

Preview

Coordinates	1557734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H68 Cu4 N12 O18 S2
Calculated formula	C96 H68 Cu4 N12 O18 S2
Title of publication	Sequential Ag<sup>+</sup>/biothiol and synchronous Ag<sup>+</sup>/Hg<sup>2+</sup> biosensing with zwitterionic Cu<sup>2+</sup>-based metal-organic frameworks.
Authors of publication	Huang, Nai-Han; Liu, Yan; Li, Rong-Tian; Chen, Jing; Hu, Pei-Pei; Young, David J.; Chen, Jin-Xiang; Zhang, Wen-Hua
Journal of publication	The Analyst
Year of publication	2020
Journal volume	145
Journal issue	7
Pages of publication	2779 - 2788
a	11.3364 ± 0.0011 Å
b	22.492 ± 0.002 Å
c	24.752 ± 0.002 Å
α	66.251 ± 0.002°
β	88.427 ± 0.002°
γ	82.262 ± 0.002°
Cell volume	5721.7 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1733
Residual factor for significantly intense reflections	0.1252
Weighted residual factors for significantly intense reflections	0.3449
Weighted residual factors for all reflections included in the refinement	0.3723
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
250125 (current)	2020-04-04	cif/ Adding structures of 1557733, 1557734 via cif-deposit CGI script.	1557734.cif