Crystallography Open Database

Information card for entry 7131135

Preview

Coordinates	7131135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H30 Al F36 In O4 P2
Calculated formula	C53 H30 Al F36 In O4 P2
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	11.504 ± 0.006 Å
b	15.151 ± 0.005 Å
c	17.514 ± 0.007 Å
α	84.274 ± 0.008°
β	79.771 ± 0.012°
γ	84.889 ± 0.014°
Cell volume	2981 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1296
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	7131135.cif
279951	2022-12-21	cif/ Adding structures of 7131134, 7131135, 7131136 via cif-deposit CGI script.	7131135.cif