Crystallography Open Database

Information card for entry 7247639

Preview

Coordinates	7247639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H16 N4 O5 S2 Zn
Calculated formula	C28 H16 N4 O5 S2 Zn
Title of publication	The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole
Authors of publication	Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	46
Pages of publication	6434 - 6440
a	32.53 ± 0.02 Å
b	8.664 ± 0.003 Å
c	22.1 ± 0.02 Å
α	90°
β	96.56 ± 0.02°
γ	90°
Cell volume	6188 ± 7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0367
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
288781 (current)	2024-01-06	cif/ Updating files of 7247635, 7247636, 7247637, 7247638, 7247639 Original log message: Adding full bibliography for 7247635--7247639.cif.	7247639.cif
287229	2023-11-02	cif/ Adding structures of 7247635, 7247636, 7247637, 7247638, 7247639 via cif-deposit CGI script.	7247639.cif