Crystallography Open Database

Information card for entry 1572501

Preview

Coordinates	1572501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78.19 H88 Cu12.5 F7.66 N2 O9.91
Calculated formula	C78.176 H88 Cu12.504 F7.662 N2 O9.908
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	23.8539 ± 0.0002 Å
b	15.6243 ± 0.0001 Å
c	24.1728 ± 0.0002 Å
α	90°
β	108.495 ± 0.001°
γ	90°
Cell volume	8543.9 ± 0.12 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0497
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1385
Weighted residual factors for all reflections included in the refinement	0.1395
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1572501.cif
294385	2024-09-05	cif/ Adding structures of 1572496, 1572497, 1572498, 1572499, 1572500, 1572501, 1572502, 1572503, 1572504 via cif-deposit CGI script.	1572501.cif