Crystallography Open Database

Information card for entry 7233526

Preview

Coordinates	7233526.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cadmium 3-fluorobenzylphosphonate
Formula	C7 H8 Cd F O4 P
Calculated formula	C7 H8 Cd F 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	30.9411 ± 0.0004 Å
b	5.05534 ± 0.00007 Å
c	5.9564 ± 0.00008 Å
α	90°
β	90°
γ	90°
Cell volume	931.69 ± 0.02 Å³
Cell temperature	293 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor R(I) for significantly intense reflections	0.0142
Goodness-of-fit parameter for all reflections	2.70733
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.	7233526.cif
217804	2019-08-29	cif/ Adding structures of 7233526, 7233527, 7233528, 7233529 via cif-deposit CGI script.	7233526.cif