Crystallography Open Database

Information card for entry 7217615

Preview

Coordinates	7217615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Fe N2
Calculated formula	C20 H16 Fe N2
SMILES	[cH]12[cH]3[c]4(c5ccc(nc5)c5ccccn5)[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]8[cH]7[cH]62
Title of publication	5-Ferrocenyl-2,2 -bipyridine Ligands: synthesis, palladium(II) and copper(I) complexes, optical and electrochemical properties.
Authors of publication	Crowley, James D.; Scottwell, Synove O.; McAdam, C. John; Shaffer, Karl J.
Journal of publication	RSC Advances
Year of publication	2014
a	13.0963 ± 0.0023 Å
b	20.1531 ± 0.0035 Å
c	11.7129 ± 0.0024 Å
α	90°
β	90°
γ	90°
Cell volume	3091.4 ± 1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
180507 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/76.	7217615.cif
121528	2014-08-07	cif/ Adding structures of 7217612, 7217613, 7217614, 7217615, 7217616, 7217617, 7217618, 7217619, 7217620 via cif-deposit CGI script.	7217615.cif