Crystallography Open Database

Information card for entry 7709386

Preview

Coordinates	7709386.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Copper(II) Hydrogen Sulfate
Formula	Cu H2 O8 S2
Calculated formula	Cu H2 O8 S2
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	4.753 ± 0.0002 Å
b	8.5325 ± 0.0004 Å
c	7.3719 ± 0.0003 Å
α	90°
β	100.063 ± 0.001°
γ	90°
Cell volume	294.37 ± 0.02 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0195
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.0511
Weighted residual factors for all reflections included in the refinement	0.0515
Goodness-of-fit parameter for all reflections included in the refinement	1.172
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.	7709386.cif
272330	2022-01-29	cif/ Adding structures of 7709386 via cif-deposit CGI script.	7709386.cif