Crystallography Open Database

Information card for entry 1559910

Preview

Coordinates	1559910.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H31 B Fe N P
Calculated formula	C28 H31 B Fe N P
SMILES	[Fe]123456([P](c7ccccc7)(c7c(N=[B]([H]5)[H]6)cccc7)c5ccccc5)[c]5([c]3([c]4([c]1([c]25C)C)C)C)C
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	15.3228 ± 0.0002 Å
b	26.7339 ± 0.0003 Å
c	35.8973 ± 0.0004 Å
α	90°
β	99.93 ± 0.001°
γ	90°
Cell volume	14484.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0954
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.171
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274567 (current)	2022-04-19	cif/1: Fixing some Z values and formulae	1559910.cif
263688	2021-04-05	cif/ Updating files of 1559907, 1559908, 1559909, 1559910, 1559911 Original log message: Adding full bibliography for 1559907--1559911.cif.	1559910.cif
260381	2021-01-03	cif/ Adding structures of 1559907, 1559908, 1559909, 1559910, 1559911 via cif-deposit CGI script.	1559910.cif