Crystallography Open Database

Information card for entry 7233527

Preview

Coordinates	7233527.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cadmium 2,3,4,5,6-pentafluorobenzylphosphonate
Formula	C7 H4 Cd F5 O4 P
Calculated formula	C7 H4 Cd F5 O4 P
Title of publication	Cadmium benzylphosphonates ‒ the close relationship between structure and properties
Authors of publication	Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	39
Pages of publication	5958
a	6.00417 ± 0.00009 Å
b	32.3664 ± 0.0005 Å
c	5.10565 ± 0.00008 Å
α	90°
β	93.183 ± 0.001°
γ	90°
Cell volume	990.67 ± 0.03 Å³
Cell temperature	293 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor R(I) for significantly intense reflections	0.0091
Goodness-of-fit parameter for all reflections	1.57337
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7085 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223564 (current)	2019-11-07	cif/ Updating files of 7233526, 7233527, 7233528, 7233529 Original log message: Adding full bibliography for 7233526--7233529.cif.	7233527.cif
217804	2019-08-29	cif/ Adding structures of 7233526, 7233527, 7233528, 7233529 via cif-deposit CGI script.	7233527.cif