Crystallography Open Database

Information card for entry 1517290

Preview

Coordinates	1517290.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Zn(DMF))2(TTFTC)(DPNI)
Formula	C43 H26 N7 O15 S4 Zn2
Calculated formula	C43 H26 N7 O15 S4 Zn2
Title of publication	Controlling charge separation in a novel donor‒acceptor metal‒organic framework via redox modulation
Authors of publication	Leong, C. F.; Chan, B.; Faust, T. B.; D'Alessandro, D. M.
Journal of publication	Chem. Sci.
Year of publication	2014
Journal volume	5
Journal issue	12
Pages of publication	4724
a	8.38 ± 0.0004 Å
b	20.9662 ± 0.0009 Å
c	13.0999 ± 0.0006 Å
α	90°
β	95.038 ± 0.003°
γ	90°
Cell volume	2292.72 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1548
Residual factor for significantly intense reflections	0.0937
Weighted residual factors for significantly intense reflections	0.238
Weighted residual factors for all reflections included in the refinement	0.2816
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	1517290.cif
126330	2014-11-06	cif/ Updating files of 1517290 Original log message: Adding full bibliography for 1517290.cif.	1517290.cif
121113	2014-08-05	cif/ Adding structures of 1517290 via cif-deposit CGI script.	1517290.cif