Crystallography Open Database

Information card for entry 7112888

Preview

Coordinates	7112888.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TTF-DIQPO4
Formula	C208 H284 N20 O19 P4 S24
Calculated formula	C208 H284 N20 O19 P4 S24
Title of publication	Tetrathiafulvalene diindolylquinoxaline: a dual signaling anion receptor with phosphate selectivity.
Authors of publication	Bejger, Christopher; Park, Jung Su; Silver, Eric S.; Sessler, Jonathan L.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	41
Pages of publication	7745 - 7747
a	15.186 ± 0.003 Å
b	16.853 ± 0.003 Å
c	25.923 ± 0.005 Å
α	92.706 ± 0.005°
β	90.213 ± 0.005°
γ	91.252 ± 0.005°
Cell volume	6625 ± 2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1805
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.1798
Weighted residual factors for all reflections included in the refinement	0.2045
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7112888.cif
112142	2014-04-30	cif/ Adding structures of 7112888 via cif-deposit CGI script.	7112888.cif