Crystallography Open Database

Information card for entry 1572498

Preview

Coordinates	1572498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H78 Cu10 F6 N6 O14
Calculated formula	C68 H60 Cu10 F6 N4 O12
Title of publication	Structural diversity of copper(i) alkynyl cluster-based coordination polymers utilizing bifunctional pyridine carboxylic acid ligands
Authors of publication	Liu, Zheng; Fang, Jun-Jie; Wang, Zhi-Yi; Xie, Yun-Peng; Lu, Xing
Journal of publication	Nanoscale
Year of publication	2024
Journal volume	16
Journal issue	38
Pages of publication	17817 - 17824
a	11.6633 ± 0.0007 Å
b	18.9908 ± 0.0012 Å
c	20.1994 ± 0.0013 Å
α	81.451 ± 0.002°
β	89.413 ± 0.002°
γ	74.577 ± 0.002°
Cell volume	4263 ± 0.5 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 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	0.0868
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.1925
Weighted residual factors for all reflections included in the refinement	0.2119
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
295299 (current)	2024-10-06	cif/ Updating files of 1572496, 1572497, 1572498, 1572499, 1572500, 1572501, 1572502, 1572503, 1572504 Original log message: Adding full bibliography for 1572496--1572504.cif.	1572498.cif
294385	2024-09-05	cif/ Adding structures of 1572496, 1572497, 1572498, 1572499, 1572500, 1572501, 1572502, 1572503, 1572504 via cif-deposit CGI script.	1572498.cif