Crystallography Open Database

Information card for entry 7216301

Preview

Coordinates	7216301.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Fluorene-Tetracyanoethilene complex
Formula	C19 H10 N4
Calculated formula	C19 H8 N4
Title of publication	Synthesis, structural and spectroscopic study of the donor?acceptor complexes between fluorene and D2h cyano molecular building blocksElectronic supplementary information (ESI) available: The 6 model structures 1a, 1b, 2a, 2b, 3a and 3b after periodic full geometry optimisation have been submitted in MOLDRAW format. See http://www.rsc.org/suppdata/ce/b3/b308380b/
Authors of publication	Arrais, Aldo; Boccaleri, Enrico; Croce, Gianluca; Milanesio, Marco; Orlando, Roberto; Diana, Eliano
Journal of publication	CrystEngComm
Year of publication	2003
Journal volume	5
Journal issue	68
Pages of publication	388
a	7.183 ± 0.004 Å
b	7.3 ± 0.004 Å
c	8.194 ± 0.005 Å
α	95.24 ± 0.01°
β	94.27 ± 0.01°
γ	114.63 ± 0.01°
Cell volume	385.9 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1857
Residual factor for significantly intense reflections	0.1203
Weighted residual factors for significantly intense reflections	0.2895
Weighted residual factors for all reflections included in the refinement	0.3342
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180494 (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 7/21/63.	7216301.cif
115359	2014-06-03	cif/ Adding structures of 7216299, 7216300, 7216301 via cif-deposit CGI script.	7216301.cif