Crystallography Open Database

Information card for entry 4331141

Preview

Coordinates	4331141.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-Fluoren-9-ylidenemethyl-pyridine-2,2-bipyridinetricarbony-rhenium(I) hexafluorophosphate dichloromethane monosolvate
Formula	C33 H23 Cl2 F6 N3 O3 P Re
Calculated formula	C33 H23 Cl2 F6 N3 O3 P Re
Title of publication	Diimine Triscarbonyl Re(I) of Isomeric Pyridyl-fulvene Ligands: an Electrochemical, Spectroscopic, and Computational Investigation
Authors of publication	Daniel Chartrand; Carlos A. Castro Ruiz; Garry S. Hanan
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	12738 - 12747
a	8.1758 ± 0.0003 Å
b	14.2872 ± 0.0005 Å
c	14.8093 ± 0.0005 Å
α	90.429 ± 0.001°
β	90.852 ± 0.002°
γ	102.281 ± 0.002°
Cell volume	1689.99 ± 0.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179414 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/11.	4331141.cif
80604	2013-04-08	cif/ Adding structures of 4331141 via cif-deposit CGI script.	4331141.cif