Crystallography Open Database

Information card for entry 7040146

Preview

Coordinates	7040146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H37 Br Fe N4 Si2
Calculated formula	C24 H37 Br Fe N4 Si2
SMILES	[Fe]1(Br)([n]2c(CN3C=1N(C=C3)c1c(cc(cc1C)C)C)cccc2)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Iron complexes of a bidentate picolyl-NHC ligand: synthesis, structure and reactivity.
Authors of publication	Liang, Qiuming; Janes, Trevor; Gjergji, Xhoana; Song, Datong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	35
Pages of publication	13872 - 13880
a	9.9454 ± 0.0009 Å
b	16.077 ± 0.0011 Å
c	19.4063 ± 0.0019 Å
α	65.934 ± 0.004°
β	84.261 ± 0.006°
γ	89.17 ± 0.004°
Cell volume	2817.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.1795
Residual factor for significantly intense reflections	0.0855
Weighted residual factors for significantly intense reflections	0.2007
Weighted residual factors for all reflections included in the refinement	0.2367
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
186385 (current)	2016-09-10	cif/ Updating files of 7040145, 7040146, 7040147, 7040148, 7040149, 7040150, 7040151, 7040152 Original log message: Adding full bibliography for 7040145--7040152.cif.	7040146.cif
184990	2016-08-05	cif/ Adding structures of 7040145, 7040146, 7040147, 7040148, 7040149, 7040150, 7040151, 7040152 via cif-deposit CGI script.	7040146.cif