Crystallography Open Database

Information card for entry 7718733

Preview

Coordinates	7718733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H6 F6 Na2 O8 P2
Calculated formula	C4 H6 F6 Na2 O8 P2
Title of publication	Thermally labile mono-alkyl phosphates and their alkali metal derivatives: synthesis and solid-state supramolecular aggregation.
Authors of publication	Kumar, Anuj; Murugavel, Ramaswamy
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	27
Pages of publication	10691 - 10709
a	14.599 ± 0.007 Å
b	6.622 ± 0.003 Å
c	13.912 ± 0.006 Å
α	90°
β	95.369 ± 0.012°
γ	90°
Cell volume	1339 ± 1.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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	0.111
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1734
Weighted residual factors for all reflections included in the refinement	0.2057
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
303729 (current)	2025-11-29	cif/ Updating files of 7718729, 7718730, 7718731, 7718732, 7718733, 7718734, 7718735 Original log message: Adding full bibliography for 7718729--7718735.cif.	7718733.cif
299703	2025-05-16	cif/ Adding structures of 7718729, 7718730, 7718731, 7718732, 7718733, 7718734, 7718735 via cif-deposit CGI script.	7718733.cif