Crystallography Open Database

Information card for entry 1516463

Preview

Coordinates	1516463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C140 H116 N12 O15 S20 Zn3
Calculated formula	C132 H94 N12 O14 S20 Zn3
Title of publication	Long-lived charge-separated states produced in supramolecular complexes between anionic and cationic porphyrins
Authors of publication	Bill, Nathan L.; Ishida, Masatoshi; Kawashima, Yuki; Ohkubo, Kei; Sung, Young Mo; Lynch, Vincent M.; Lim, Jong Min; Kim, Dongho; Sessler, Jonathan L.; Fukuzumi, Shunichi
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	10
Pages of publication	3888
a	10.7122 ± 0.0005 Å
b	16.4862 ± 0.0009 Å
c	19.402 ± 0.001 Å
α	101.781 ± 0.003°
β	102.522 ± 0.003°
γ	97.189 ± 0.004°
Cell volume	3222.6 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.1322
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.1738
Goodness-of-fit parameter for all reflections included in the refinement	1.132
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516463.cif
123373	2014-09-08	cif/ Updating files of 1516463 Original log message: Adding full bibliography for 1516463.cif.	1516463.cif
114940	2014-05-30	cif/ Adding structures of 1516463 via cif-deposit CGI script.	1516463.cif