Crystallography Open Database

Information card for entry 1568439

Preview

Coordinates	1568439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H52 Ga P
Calculated formula	C40 H52 Ga P
SMILES	[Ga]1234(=Pc5c(c6c(cccc6C(C)C)C(C)C)cccc5c5c(C(C)C)cccc5C(C)C)[c]5([c]2([c]1([c]4([c]35C)C)C)C)C
Title of publication	Photochemical formation and reversible base-induced cleavage of a phosphagallene.
Authors of publication	Taeufer, T.; Dankert, F.; Michalik, D.; Pospech, J.; Bresien, J.; Hering-Junghans, C
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	11
Pages of publication	3018 - 3023
a	10.1214 ± 0.0002 Å
b	22.1032 ± 0.0005 Å
c	16.8012 ± 0.0004 Å
α	90°
β	106.045 ± 0.001°
γ	90°
Cell volume	3612.27 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0902
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282291 (current)	2023-04-04	cif/ Updating files of 1568439, 1568440, 1568441 Original log message: Adding full bibliography for 1568439--1568441.cif.	1568439.cif
280960	2023-02-20	cif/ Adding structures of 1568439, 1568440, 1568441 via cif-deposit CGI script.	1568439.cif