Crystallography Open Database

Information card for entry 1567419

Preview

Coordinates	1567419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H130 Al2 Fe2 I2 N4
Calculated formula	C97 H130 Al2 Fe2 I2 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	22.1651 ± 0.0002 Å
b	19.7884 ± 0.0002 Å
c	23.3393 ± 0.0002 Å
α	90°
β	113.136 ± 0.001°
γ	90°
Cell volume	9413.59 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.9 ± 0.7 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1148
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	1567419.cif
277027	2022-08-02	cif/ Adding structures of 1567415, 1567416, 1567417, 1567418, 1567419, 1567420, 1567421 via cif-deposit CGI script.	1567419.cif