Crystallography Open Database

Information card for entry 1569483

Preview

Coordinates	1569483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H52 B Cu F4 N2 O5 P2
Calculated formula	C63 H52 B Cu F4 N2 O5 P2
Title of publication	Ultrafast electronic, infrared, and X-ray absorption spectroscopy study of Cu(I) phosphine diimine complexes.
Authors of publication	Appleby, Martin V.; Cowin, Rory A.; Ivalo, Iona I.; Peralta-Arriaga, Samantha L; Robertson, Craig C.; Bartlett, Stuart; Fitzpatrick, Ann; Dent, Andrew; Karras, Gabriel; Diaz-Moreno, Sofia; Chekulaev, Dimitri; Weinstein, Julia A.
Journal of publication	Faraday discussions
Year of publication	2023
Journal volume	244
Journal issue	0
Pages of publication	391 - 410
a	11.241 ± 0.0005 Å
b	14.6532 ± 0.0008 Å
c	18.4225 ± 0.0008 Å
α	73.672 ± 0.003°
β	86.086 ± 0.003°
γ	70.147 ± 0.003°
Cell volume	2737.8 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1433
Residual factor for significantly intense reflections	0.0972
Weighted residual factors for significantly intense reflections	0.2549
Weighted residual factors for all reflections included in the refinement	0.3025
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286134 (current)	2023-09-05	cif/ Updating files of 1569481, 1569482, 1569483 Original log message: Adding full bibliography for 1569481--1569483.cif.	1569483.cif
285092	2023-07-08	cif/ Adding structures of 1569481, 1569482, 1569483 via cif-deposit CGI script.	1569483.cif