Crystallography Open Database

Information card for entry 7042458

Preview

Coordinates	7042458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl2 Cu5 O24 P4 Sr2
Calculated formula	Cl2 Cu5 O24 P4 Sr2
Title of publication	Synthesis, structure, and magnetic properties of new layered phosphate halides Sr2Cu5(PO4)4X2·8H2O (X = Cl, Br) with a crown-like building unit.
Authors of publication	Qiu, Chaoqun; He, Zhangzhen; Cui, Meiyan; Tang, Yingying; Chen, Sihuai
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	13
Pages of publication	4461 - 4466
a	9.632 ± 0.004 Å
b	9.632 ± 0.004 Å
c	12.464 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1156.4 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	90
Hermann-Mauguin space group symbol	P 4 21 2
Hall space group symbol	P 4ab 2ab
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.0608
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
195077 (current)	2017-04-05	cif/ Updating files of 7042458, 7042459 Original log message: Adding full bibliography for 7042458--7042459.cif.	7042458.cif
194218	2017-03-14	cif/ Adding structures of 7042458, 7042459 via cif-deposit CGI script.	7042458.cif