Crystallography Open Database

Information card for entry 7040826

Preview

Coordinates	7040826.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Copper Phenylphosphonate
Chemical name	Copper Phenylphosphonate
Formula	C6 H7 Cu O4 P
Calculated formula	C6 H7 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	13.9871 ± 0.0007 Å
b	7.6637 ± 0.0004 Å
c	7.4534 ± 0.0004 Å
α	90°
β	91.75 ± 0.002°
γ	90°
Cell volume	798.58 ± 0.07 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
188194 (current)	2016-11-08	cif/ Updating files of 7040825, 7040826, 7040827 Original log message: Adding full bibliography for 7040825--7040827.cif.	7040826.cif
187011	2016-10-07	cif/ Adding structures of 7040825, 7040826, 7040827 via cif-deposit CGI script.	7040826.cif