Crystallography Open Database

Information card for entry 7703482

Preview

Coordinates	7703482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H12 N O9.5 P2 Pb2 S
Calculated formula	C9 H12 N O9.5 P2 Pb2 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	5.3434 ± 0.0001 Å
b	23.6346 ± 0.0003 Å
c	13.1707 ± 0.0002 Å
α	90°
β	91.839 ± 0.001°
γ	90°
Cell volume	1662.46 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.1808
Residual factor for significantly intense reflections	0.1481
Weighted residual factors for significantly intense reflections	0.3646
Weighted residual factors for all reflections included in the refinement	0.39
Goodness-of-fit parameter for all reflections included in the refinement	1.482
Diffraction radiation wavelength	0.72932 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	7703482.cif
247970	2020-02-08	cif/ Adding structures of 7703479, 7703480, 7703481, 7703482 via cif-deposit CGI script.	7703482.cif