Crystallography Open Database

Information card for entry 1567416

Preview

Coordinates	1567416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H61 Al Fe I2 N2
Calculated formula	C45 H61 Al Fe I2 N2
Title of publication	Stepwise reduction of a base-stabilised ferrocenyl aluminium(iii) dihalide for the synthesis of structurally-diverse dialane species
Authors of publication	Dhara, Debabrata; Fantuzzi, Felipe; Härterich, Marcel; Dewhurst, Rian D.; Krummenacher, Ivo; Arrowsmith, Merle; Pranckevicius, Conor; Braunschweig, Holger
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	33
Pages of publication	9693 - 9700
a	16.6116 ± 0.0008 Å
b	14.202 ± 0.0007 Å
c	20.0432 ± 0.0011 Å
α	90°
β	103.503 ± 0.003°
γ	90°
Cell volume	4597.8 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.0894
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
277663 (current)	2022-09-06	cif/ Updating files of 1567415, 1567416, 1567417, 1567418, 1567419, 1567420, 1567421 Original log message: Adding full bibliography for 1567415--1567421.cif.	1567416.cif
277027	2022-08-02	cif/ Adding structures of 1567415, 1567416, 1567417, 1567418, 1567419, 1567420, 1567421 via cif-deposit CGI script.	1567416.cif