Crystallography Open Database

Information card for entry 7709390

Preview

Coordinates	7709390.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	beta-Cupperborosulfate
Chemical name	beta-Copper(II) Borosulfate
Formula	B2 Cu O16 S4
Calculated formula	B2 Cu O16 S4
Title of publication	Polymorphism and optical, magnetic and thermal properties of the either phyllo- or inosilicate-analogous borosulfate Cu[B<sub>2</sub>(SO<sub>4</sub>)<sub>4</sub>].
Authors of publication	Hämmer, Matthias; Pielnhofer, Florian; Janka, Oliver; Takahashi, Hirotaka; Gross, Peter; Pöttgen, Rainer; Höppe, Henning A
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	8
Pages of publication	3104 - 3115
a	7.712 ± 0.003 Å
b	8.149 ± 0.003 Å
c	9.092 ± 0.003 Å
α	90°
β	111.22 ± 0.011°
γ	90°
Cell volume	532.6 ± 0.3 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0229
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0525
Weighted residual factors for all reflections included in the refinement	0.0535
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
273361 (current)	2022-03-05	cif/ Updating files of 7709384, 7709385, 7709386, 7709387, 7709388, 7709389, 7709390, 7709391 Original log message: Adding full bibliography for 7709384--7709391.cif.	7709390.cif
272334	2022-01-29	cif/ Adding structures of 7709390 via cif-deposit CGI script.	7709390.cif