Crystallography Open Database

Information card for entry 7239847

Preview

Coordinates	7239847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H2 Cu O5
Calculated formula	C6 H2 Cu O5
Title of publication	Direct observation of dimethyl sulfide trapped by MOF proving efficient removal of sulfur impurities
Authors of publication	Morita, Masashi; Yonezu, Akira; Kusaka, Shinpei; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	8
Pages of publication	4710 - 4714
a	26.3518 ± 0.0006 Å
b	26.3518 ± 0.0006 Å
c	26.3518 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	18299.1 ± 0.7 Å³
Cell temperature	203 K
Ambient diffraction temperature	203 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation probe	x-ray
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
258012 (current)	2020-10-06	cif/ Updating files of 7239846, 7239847, 7239848 Original log message: Adding full bibliography for 7239846--7239848.cif.	7239847.cif
247375	2020-01-30	cif/ Adding structures of 7239846, 7239847, 7239848 via cif-deposit CGI script.	7239847.cif