Crystallography Open Database

Information card for entry 7717067

Preview

Coordinates	7717067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H38 N4 O12 S4 Zn2
Calculated formula	C22 H16 N2 O8 S4 Zn2
Title of publication	Metal-organic frameworks with a sulfur-rich heterocycle: synthesis, gas adsorption properties, and metal exchange.
Authors of publication	Dubskikh, Vadim A.; Lysova, Anna A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	40
Pages of publication	16654 - 16660
a	12.588 ± 0.004 Å
b	12.588 ± 0.004 Å
c	9.604 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1521.8 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	123
Hermann-Mauguin space group symbol	P 4/m m m
Hall space group symbol	-P 4 2
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	0.745 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296581 (current)	2024-12-06	cif/ Updating files of 7717067, 7717068 Original log message: Adding full bibliography for 7717067--7717068.cif.	7717067.cif
294837	2024-09-21	cif/ Adding structures of 7717067, 7717068 via cif-deposit CGI script.	7717067.cif