Crystallography Open Database

Information card for entry 1516416

Preview

Coordinates	1516416.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tetra-isoamylammonium polyacrylate clathrate hydrate (1:39)
Formula	C23 H125 N O41
Calculated formula	C21 H46.56 N1.02 O38.98
Title of publication	Calorimetric and X-ray studies of clathrate hydrates of tetraisoamylammonium polyacrylates.
Authors of publication	Terekhova, Irina S.; Manakov, Andrey Yu; Soldatov, Dmitriy V.; Suwinska, Kinga; Skiba, Sergey S.; Stenin, Yuri G.; Villevald, Galina V.; Karpova, Tamara D.; Yunoshev, Alexander S.
Journal of publication	The journal of physical chemistry. B
Year of publication	2009
Journal volume	113
Journal issue	17
Pages of publication	5760 - 5768
a	12.15 ± 0.001 Å
b	12.15 ± 0.001 Å
c	12.58 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1608.3 ± 0.2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	4
Space group number	187
Hermann-Mauguin space group symbol	P -6 m 2
Hall space group symbol	P -6 2
Residual factor for all reflections	0.1389
Residual factor for significantly intense reflections	0.1354
Weighted residual factors for significantly intense reflections	0.4027
Weighted residual factors for all reflections included in the refinement	0.411
Goodness-of-fit parameter for all reflections included in the refinement	2.214
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516416.cif
114848	2014-05-29	cif/ Adding structures of 1516416 via cif-deposit CGI script.	1516416.cif