Crystallography Open Database

Information card for entry 7247638

Preview

Coordinates	7247638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H34 N10 O10 S6 Zn2
Calculated formula	C46 H34 N10 O10 S6 Zn2
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	17.1947 ± 0.0002 Å
b	18.5446 ± 0.0002 Å
c	15.7154 ± 0.0002 Å
α	90°
β	100.974 ± 0.001°
γ	90°
Cell volume	4919.52 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 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	0.0819
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.1754
Weighted residual factors for all reflections included in the refinement	0.1796
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7247638.cif
287229	2023-11-02	cif/ Adding structures of 7247635, 7247636, 7247637, 7247638, 7247639 via cif-deposit CGI script.	7247638.cif