Crystallography Open Database

Information card for entry 1571894

Preview

Coordinates	1571894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H83 N O28 P4 S12 Si W12
Calculated formula	C98 H83 N O28 P4 S12 Si W12
Title of publication	Synthesis of polyoxothiometalates through site-selective post-editing sulfurization of polyoxometalates.
Authors of publication	Yonesato, Kentaro; Yamaguchi, Kazuya; Suzuki, Kosuke
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	29
Pages of publication	11267 - 11271
a	13.6691 ± 0.0002 Å
b	14.5906 ± 0.0002 Å
c	17.0239 ± 0.0002 Å
α	67.9371 ± 0.0013°
β	68.7098 ± 0.0013°
γ	89.8358 ± 0.0011°
Cell volume	2896.62 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0248
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0684
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.4142 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293728 (current)	2024-08-05	cif/ Updating files of 1571894 Original log message: Adding full bibliography for 1571894.cif.	1571894.cif
292402	2024-06-15	cif/ Adding structures of 1571894 via cif-deposit CGI script.	1571894.cif