Crystallography Open Database

Information card for entry 4027053

Preview

Coordinates	4027053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C131 H94 Cl6 N16 S32
Calculated formula	C131 H94 Cl6 N16 S32
Title of publication	Dual Signaling System with an Extended-Tetrathiafulvalene-Phenanthroline Dyad Acting as an Electrooptical Cation Chemosensor
Authors of publication	Marie Hardouin-Lerouge; Bertrand Chesneau; Magali Allain; Piétrick Hudhomme
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	2441 - 2445
a	12.564 ± 0.002 Å
b	15.406 ± 0.004 Å
c	19.363 ± 0.003 Å
α	89.76 ± 0.02°
β	80.24 ± 0.01°
γ	79.32 ± 0.02°
Cell volume	3628.3 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.351
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation probe	x-ray
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
178449 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/70.	4027053.cif
81121	2013-04-14	cif/ Adding structures of 4027053 via cif-deposit CGI script.	4027053.cif