Crystallography Open Database

Information card for entry 7717068

Preview

Coordinates	7717068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H49 Cu N5 O14 S4 Zn
Calculated formula	C22 H16 Cu N2 O8 S4 Zn
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	12.5936 ± 0.0007 Å
b	12.5936 ± 0.0007 Å
c	9.6955 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1537.7 ± 0.3 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	7
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	0.0579
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	0.974
Diffraction radiation probe	x-ray
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
296581 (current)	2024-12-06	cif/ Updating files of 7717067, 7717068 Original log message: Adding full bibliography for 7717067--7717068.cif.	7717068.cif
294837	2024-09-21	cif/ Adding structures of 7717067, 7717068 via cif-deposit CGI script.	7717068.cif