Crystallography Open Database

Information card for entry 7131136

Preview

Coordinates	7131136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H60 Al2 F72 Ga2 O8 P4
Calculated formula	C106 H60 Al2 F72 Ga2 O8 P4
Title of publication	How long are Ga⇆Ga double bonds and Ga-Ga single bonds in dicationic gallium dimers?
Authors of publication	Barthélemy, Antoine; Scherer, Harald; Weller, Hanna; Krossing, Ingo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	10
Pages of publication	1353 - 1356
a	15.9476 ± 0.0012 Å
b	11.0312 ± 0.0008 Å
c	33.773 ± 0.003 Å
α	90°
β	102.211 ± 0.002°
γ	90°
Cell volume	5807 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0292
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0754
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
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
283016 (current)	2023-05-05	cif/ Updating files of 7131134, 7131135, 7131136 Original log message: Adding full bibliography for 7131134--7131136.cif.	7131136.cif
279951	2022-12-21	cif/ Adding structures of 7131134, 7131135, 7131136 via cif-deposit CGI script.	7131136.cif