Crystallography Open Database

Information card for entry 7062153

Preview

Coordinates	7062153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H48 Cl Cu N2 P2
Calculated formula	C40 H48 Cl Cu N2 P2
SMILES	[Cu](Cl)([P](N1c2ccccc2C=Cc2ccccc12)(C(C)C)C(C)C)[P](N1c2ccccc2C=Cc2ccccc12)(C(C)C)C(C)C
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	14.8459 ± 0.0003 Å
b	10.18035 ± 0.00019 Å
c	24.1751 ± 0.0004 Å
α	90°
β	90.0356 ± 0.0018°
γ	90°
Cell volume	3653.74 ± 0.12 Å³
Cell temperature	100 ± 0.6 K
Ambient diffraction temperature	100 ± 0.6 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7062153.cif
279811	2022-12-09	cif/ Adding structures of 7062150, 7062151, 7062152, 7062153, 7062154, 7062155, 7062156, 7062157, 7062158 via cif-deposit CGI script.	7062153.cif