Crystallography Open Database

Information card for entry 7217617

Preview

Coordinates	7217617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 F12 Fe N4 Pd Sb2
Calculated formula	C30 H26 F12 Fe N4 Pd Sb2
SMILES	[Pd]1([n]2c(c3ccc([c]45[cH]6[Fe]789%10%11%124([cH]4[cH]7[cH]8[cH]9[cH]%104)[cH]6[cH]%11[cH]5%12)c[n]13)cccc2)([n]1ccccc1)[n]1ccccc1.[Sb](F)(F)(F)(F)([F-])F.[Sb](F)(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	31.201 ± 0.004 Å
b	11.3669 ± 0.0011 Å
c	19.088 ± 0.002 Å
α	90°
β	95.873 ± 0.004°
γ	90°
Cell volume	6734.2 ± 1.3 Å³
Cell temperature	89 ± 2 K
Ambient diffraction temperature	89 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1565
Weighted residual factors for all reflections included in the refinement	0.1693
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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.	7217617.cif
121528	2014-08-07	cif/ Adding structures of 7217612, 7217613, 7217614, 7217615, 7217616, 7217617, 7217618, 7217619, 7217620 via cif-deposit CGI script.	7217617.cif