Crystallography Open Database

Information card for entry 7040825

Preview

Coordinates	7040825.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Copper(II)-phenylphosphonate monohydrate
Mineral name	alphaCuPhP
Formula	C6 H7 Cu O4 P
Calculated formula	C6 Cu O4 P
Title of publication	The crystallisation of copper(ii) phenylphosphonates.
Authors of publication	Wilke, Manuel; Kabelitz, Anke; Gorelik, Tatiana E.; Buzanich, Ana Guilherme; Reinholz, Uwe; Kolb, Ute; Rademann, Klaus; Emmerling, Franziska
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	43
Pages of publication	17453 - 17463
a	5.65908 ± 0.00015 Å
b	14.3406 ± 0.0005 Å
c	4.79644 ± 0.00013 Å
α	90°
β	90°
γ	90°
Cell volume	389.25 ± 0.02 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor R(I) for significantly intense reflections	8.225
Goodness-of-fit parameter for all reflections	8.91
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188194 (current)	2016-11-08	cif/ Updating files of 7040825, 7040826, 7040827 Original log message: Adding full bibliography for 7040825--7040827.cif.	7040825.cif
187011	2016-10-07	cif/ Adding structures of 7040825, 7040826, 7040827 via cif-deposit CGI script.	7040825.cif