Crystallography Open Database

Information card for entry 7062154

Preview

Coordinates	7062154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H42 B Cl2 Cu F4 N2 P2
Calculated formula	C53 H42 B Cl2 Cu F4 N2 P2
Title of publication	Developing bulky P-alkene ligands: stabilization of copper complexes with 14 valence electrons
Authors of publication	Grasruck, Alexander; Parla, Giorgio; Heineman, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	5
Pages of publication	2307 - 2323
a	10.2245 ± 0.0005 Å
b	18.4807 ± 0.001 Å
c	13.1184 ± 0.0007 Å
α	90°
β	110.303 ± 0.002°
γ	90°
Cell volume	2324.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0846
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
281514 (current)	2023-03-04	cif/ Updating files of 7062150, 7062151, 7062152, 7062153, 7062154, 7062155, 7062156, 7062157, 7062158 Original log message: Adding full bibliography for 7062150--7062158.cif.	7062154.cif
279811	2022-12-09	cif/ Adding structures of 7062150, 7062151, 7062152, 7062153, 7062154, 7062155, 7062156, 7062157, 7062158 via cif-deposit CGI script.	7062154.cif