Crystallography Open Database

Information card for entry 7718273

Preview

Coordinates	7718273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 B F4 Na5 O12 S4
Calculated formula	C4 H12 B F4 Na5 O12 S4
Title of publication	Synthesis and large crystal growth of a family of mixed-anionic methanesulfonate salts by anionic site-substitution: Na<sub>5</sub>(SO<sub>3</sub>CH<sub>3</sub>)<sub>4</sub>(X) (X = BF<sub>4</sub><sup>-</sup>, ClO<sub>4</sub><sup>-</sup>, PF<sub>6</sub><sup>-</sup>, I<sup>-</sup>).
Authors of publication	Gabilondo, Eric A.; Halasyamani, P. Shiv
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	13
Pages of publication	5301 - 5310
a	12.524 ± 0.004 Å
b	5.5342 ± 0.0015 Å
c	15.001 ± 0.004 Å
α	90°
β	102.878 ± 0.004°
γ	90°
Cell volume	1013.6 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300880 (current)	2025-07-06	cif/ Updating files of 7718273, 7718274, 7718275, 7718276 Original log message: Adding full bibliography for 7718273--7718276.cif.	7718273.cif
298312	2025-03-07	cif/ Adding structures of 7718273, 7718274, 7718275, 7718276 via cif-deposit CGI script.	7718273.cif