Crystallography Open Database

Information card for entry 1567421

Preview

Coordinates	1567421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H122 Al2 Fe2 N4
Calculated formula	C90 H122 Al2 Fe2 N4
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	19.856 ± 0.008 Å
b	14.8 ± 0.004 Å
c	29.131 ± 0.01 Å
α	90°
β	105.079 ± 0.012°
γ	90°
Cell volume	8266 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0964
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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.	1567421.cif
277027	2022-08-02	cif/ Adding structures of 1567415, 1567416, 1567417, 1567418, 1567419, 1567420, 1567421 via cif-deposit CGI script.	1567421.cif