Crystallography Open Database

Information card for entry 4086282

Preview

Coordinates	4086282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H42 Fe N2 O3 Si2
Calculated formula	C26 H42 Fe N2 O3 Si2
Title of publication	Knölker-Type Iron Complexes Bearing an N-Heterocyclic Carbene Ligand: Synthesis, Characterization, and Catalytic Dehydration of Primary Amides
Authors of publication	Elangovan, Saravanakumar; Quintero-Duque, Samuel; Dorcet, Vincent; Roisnel, Thierry; Norel, Lucie; Darcel, Christophe; Sortais, Jean-Baptiste
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	18
Pages of publication	4521
a	14.7502 ± 0.0004 Å
b	16.7058 ± 0.0004 Å
c	23.0615 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5682.7 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
160434 (current)	2015-10-06	cif/ Adding structures of 4086280, 4086281, 4086282, 4086283, 4086284, 4086285 via cif-deposit CGI script.	4086282.cif