Crystallography Open Database

Information card for entry 1570112

Preview

Coordinates	1570112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C252 H330 Cu56 O40 P10
Calculated formula	C252 H330 Cu56 O40 P10
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	17.803 ± 0.012 Å
b	20.26 ± 0.03 Å
c	25.068 ± 0.018 Å
α	89.93 ± 0.03°
β	76.441 ± 0.012°
γ	63.93 ± 0.02°
Cell volume	7842 ± 14 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1626
Residual factor for significantly intense reflections	0.0995
Weighted residual factors for significantly intense reflections	0.2653
Weighted residual factors for all reflections included in the refinement	0.3312
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	1570112.cif
286963	2023-10-14	cif/ Adding structures of 1570109, 1570110, 1570111, 1570112, 1570113, 1570114, 1570115, 1570116 via cif-deposit CGI script.	1570112.cif