Crystallography Open Database

Information card for entry 7700021

Preview

Coordinates	7700021.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Caesium copper borophosphate
Chemical name	Dicaesium Diaquatricopper 24-oxodihydroxotetraborohexaphosphate(V)
Formula	B8 Cs4 Cu6 H12 O56 P12
Calculated formula	B8 Cs4 Cu6 H12 O56 P12
Title of publication	Crystal chemistry and physical properties of the A<sub>2</sub>M<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>[B<sub>4</sub>P<sub>6</sub>O<sub>24</sub>(OH)<sub>2</sub>] (A = Cs, Rb; M = Ni, Cu, (Ni, Fe)) borophosphate family.
Authors of publication	Shvanskaya, Larisa; Yakubovich, Olga; Melchakova, Lyubov; Ivanova, Anna; Vasiliev, Alexander
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	24
Pages of publication	8835 - 8842
a	9.4057 ± 0.0005 Å
b	12.9274 ± 0.0005 Å
c	19.3912 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2357.8 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0674
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
223791 (current)	2019-11-07	cif/ Updating files of 7700020, 7700021, 7700022 Original log message: Adding full bibliography for 7700020--7700022.cif.	7700021.cif
215294	2019-05-18	cif/ Adding structures of 7700021 via cif-deposit CGI script.	7700021.cif