Crystallography Open Database

Information card for entry 1557838

Preview

Coordinates	1557838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H102 Al2 N4
Calculated formula	C72 H102 Al2 N4
Title of publication	Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis
Authors of publication	Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	18
Pages of publication	4817 - 4827
a	13.5339 ± 0.0006 Å
b	13.5131 ± 0.0006 Å
c	18.1559 ± 0.0006 Å
α	90°
β	100.481 ± 0.002°
γ	90°
Cell volume	3265 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
257388 (current)	2020-10-06	cif/ Updating files of 1557836, 1557837, 1557838, 1557839, 1557840, 1557841 Original log message: Adding full bibliography for 1557836--1557841.cif.	1557838.cif
252739	2020-06-05	cif/ Updating files of 1557836, 1557837, 1557838, 1557839, 1557840, 1557841 Original log message: Adding full bibliography for 1557836--1557841.cif.	1557838.cif
250995	2020-04-22	cif/ Adding structures of 1557836, 1557837, 1557838, 1557839, 1557840, 1557841 via cif-deposit CGI script.	1557838.cif