Crystallography Open Database

Information card for entry 4500915

Preview

Coordinates	4500915.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1
Formula	C24 H34 N10 Na O7 S0.5
Calculated formula	C24 H34 N10 Na O7 S0.5
Title of publication	Sulfate Separation from Aqueous Alkaline Solutions by Selective Crystallization of Alkali Metal Coordination Capsules
Authors of publication	Rajbanshi, Arbin; Moyer, Bruce A.; Custelcean, Radu
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	7
Pages of publication	2702
a	12.1207 ± 0.0006 Å
b	18.8019 ± 0.0009 Å
c	13.2832 ± 0.0007 Å
α	90°
β	91.632 ± 0.001°
γ	90°
Cell volume	3025.9 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0678
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4500915.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500915.cif
34686	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500915, 4500916, 4500917 via cif-deposit CGI script.	4500915.cif