Crystallography Open Database

Information card for entry 7703481

Preview

Coordinates	7703481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H27 Mg2 N O17 P2 S
Calculated formula	C9 H27 Mg2 N O17 P2 S
Title of publication	Permanent porosity and role of sulfonate groups in coordination networks constructed from a new polyfunctional phosphonato-sulfonate linker molecule.
Authors of publication	Wöhlbrandt, Stephan; Igeska, Angela; Svensson Grape, Erik; Øien-Ødegaard, Sigurd; Ken Inge, A.; Stock, Norbert
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	8
Pages of publication	2724 - 2733
a	18.8531 ± 0.0008 Å
b	5.3729 ± 0.0002 Å
c	23.7906 ± 0.001 Å
α	90°
β	113.18 ± 0.001°
γ	90°
Cell volume	2215.34 ± 0.16 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294.32 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0788
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1343
Weighted residual factors for all reflections included in the refinement	0.1474
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
248910 (current)	2020-03-05	cif/ Updating files of 7703479, 7703480, 7703481, 7703482 Original log message: Adding full bibliography for 7703479--7703482.cif.	7703481.cif
247970	2020-02-08	cif/ Adding structures of 7703479, 7703480, 7703481, 7703482 via cif-deposit CGI script.	7703481.cif