Crystallography Open Database

Information card for entry 1559908

Preview

Coordinates	1559908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H60 B2 F24 Fe N O2 P
Calculated formula	C68 H60 B2 F24 Fe N O2 P
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	12.9415 ± 0.0003 Å
b	14.6375 ± 0.0004 Å
c	19.3031 ± 0.0005 Å
α	103.817 ± 0.002°
β	92.601 ± 0.002°
γ	92.604 ± 0.002°
Cell volume	3541.17 ± 0.16 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0924
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.2084
Weighted residual factors for all reflections included in the refinement	0.2379
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	1559908.cif
260381	2021-01-03	cif/ Adding structures of 1559907, 1559908, 1559909, 1559910, 1559911 via cif-deposit CGI script.	1559908.cif