Crystallography Open Database

Information card for entry 1570116

Preview

Coordinates	1570116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C180 H288 Cu56 F Na O42 P12
Calculated formula	C180 H288 Cu56 F Na O42 P12
Title of publication	Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties.
Authors of publication	Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	44
Pages of publication	12637 - 12644
a	20.0489 ± 0.0007 Å
b	19.6875 ± 0.0006 Å
c	33.1286 ± 0.001 Å
α	90°
β	94.766 ± 0.001°
γ	90°
Cell volume	13031.1 ± 0.7 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1638
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1645
Weighted residual factors for all reflections included in the refinement	0.2085
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
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
288724 (current)	2024-01-06	cif/ Updating files of 1570109, 1570110, 1570111, 1570112, 1570113, 1570114, 1570115, 1570116 Original log message: Adding full bibliography for 1570109--1570116.cif.	1570116.cif
286963	2023-10-14	cif/ Adding structures of 1570109, 1570110, 1570111, 1570112, 1570113, 1570114, 1570115, 1570116 via cif-deposit CGI script.	1570116.cif