Crystallography Open Database

Information card for entry 1567418

Preview

Coordinates	1567418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H136 Al2 Fe2 I2 N4
Calculated formula	C96 H136 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	15.8692 ± 0.0002 Å
b	16.9522 ± 0.0003 Å
c	18.67859 ± 0.00019 Å
α	112.089 ± 0.0013°
β	93.6385 ± 0.0011°
γ	100.472 ± 0.0013°
Cell volume	4530.35 ± 0.12 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1592
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
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.	1567418.cif
277027	2022-08-02	cif/ Adding structures of 1567415, 1567416, 1567417, 1567418, 1567419, 1567420, 1567421 via cif-deposit CGI script.	1567418.cif