Crystallography Open Database

Information card for entry 7214661

Preview

Coordinates	7214661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H9 N O4 S2 Zn
Calculated formula	C16 H9 N O4 S2 Zn
Title of publication	Synthesis, structure, and luminescent properties of oligothiophene-containing metal‒organic frameworks
Authors of publication	Earl, Lyndsey D.; Patrick, Brian O.; Wolf, Michael O.
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	18
Pages of publication	5801
a	17.1764 ± 0.0008 Å
b	22.0141 ± 0.0012 Å
c	9.9312 ± 0.0005 Å
α	90°
β	96.535 ± 0.002°
γ	90°
Cell volume	3730.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0772
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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
180477 (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 7/21/46.	7214661.cif
110939	2014-04-20	cif/ Adding structures of 7214659, 7214660, 7214661, 7214662, 7214663 via cif-deposit CGI script.	7214661.cif