Crystallography Open Database

Information card for entry 1559909

Preview

Coordinates	1559909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H67 B2 F24 Fe N P2
Calculated formula	C78 H57.4 B2 F24 Fe N P2
Title of publication	Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex
Authors of publication	Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	8
Pages of publication	2885 - 2889
a	13.1206 ± 0.0002 Å
b	16.6063 ± 0.0002 Å
c	36.1078 ± 0.0005 Å
α	90°
β	93.609 ± 0.001°
γ	90°
Cell volume	7851.73 ± 0.19 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	7
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	0.0973
Residual factor for significantly intense reflections	0.0806
Weighted residual factors for significantly intense reflections	0.2199
Weighted residual factors for all reflections included in the refinement	0.2347
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
263688 (current)	2021-04-05	cif/ Updating files of 1559907, 1559908, 1559909, 1559910, 1559911 Original log message: Adding full bibliography for 1559907--1559911.cif.	1559909.cif
260381	2021-01-03	cif/ Adding structures of 1559907, 1559908, 1559909, 1559910, 1559911 via cif-deposit CGI script.	1559909.cif