Crystallography Open Database

Information card for entry 7046201

Preview

Coordinates	7046201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 Fe N O
Calculated formula	C17 H15 Fe N O
Title of publication	Aminotroponiminates: ligand-centred, reversible redox events under oxidative conditions in sodium and bismuth complexes.
Authors of publication	Hanft, Anna; Lichtenberg, Crispin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	31
Pages of publication	10578 - 10589
a	9.478 ± 0.003 Å
b	10.5 ± 0.004 Å
c	13.271 ± 0.005 Å
α	90°
β	94.603 ± 0.006°
γ	90°
Cell volume	1316.5 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0666
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
229823 (current)	2019-11-17	cif/ Updating files of 7046201, 7046202, 7046203, 7046204, 7046205, 7046206 Original log message: Adding full bibliography for 7046201--7046206.cif.	7046201.cif
207599	2018-05-01	cif/ Adding structures of 7046201, 7046202, 7046203, 7046204, 7046205, 7046206 via cif-deposit CGI script.	7046201.cif