Crystallography Open Database

Information card for entry 7128813

Preview

Coordinates	7128813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H78 Al B N2 O3
Calculated formula	C50 H78 Al B N2 O3
Title of publication	Reductive elimination of [AlH<sub>2</sub>]<sup>+</sup> from a cationic Ga-Al dihydride.
Authors of publication	Morris, Louis J.; Carpentier, Ambre; Maron, Laurent; Okuda, Jun
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	74
Pages of publication	9454 - 9457
a	12.966 ± 0.003 Å
b	15.946 ± 0.003 Å
c	12.986 ± 0.003 Å
α	90°
β	117.09 ± 0.03°
γ	90°
Cell volume	2390.4 ± 1.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0523
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269648 (current)	2021-10-06	cif/ Updating files of 7128813, 7128814, 7128815, 7128816, 7128817 Original log message: Adding full bibliography for 7128813--7128817.cif.	7128813.cif
268081	2021-08-15	cif/ Adding structures of 7128813, 7128814, 7128815, 7128816, 7128817 via cif-deposit CGI script.	7128813.cif