Crystallography Open Database

Information card for entry 7217616

Preview

Coordinates	7217616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 F12 Fe N8 Pd Sb2
Calculated formula	C38 H42 F12 Fe N8 Pd Sb2
SMILES	[cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82c1c[n]2c(cc1)c1cccc[n]1[Pd]2([n]1ccc(cc1)N(C)C)[n]1ccc(cc1)N(C)C.C(#N)C.C(#N)C.F[Sb](F)(F)(F)(F)[F-].[F-][Sb](F)(F)(F)(F)F
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	11.635 ± 0.002 Å
b	13.391 ± 0.002 Å
c	15.929 ± 0.002 Å
α	67.083 ± 0.007°
β	84.398 ± 0.007°
γ	82.022 ± 0.007°
Cell volume	2261.2 ± 0.6 Å³
Cell temperature	89 ± 2 K
Ambient diffraction temperature	89 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0287
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0589
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7217616.cif
121528	2014-08-07	cif/ Adding structures of 7217612, 7217613, 7217614, 7217615, 7217616, 7217617, 7217618, 7217619, 7217620 via cif-deposit CGI script.	7217616.cif