Crystallography Open Database

Information card for entry 7219029

7219028 << 7219029 >> 7219030

Preview

Coordinates	7219029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H24 K N O6 S
Calculated formula	C13 H24 K N O6 S
Title of publication	Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties.
Authors of publication	Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2015
Journal volume	17
Journal issue	4
Pages of publication	2838 - 2849
a	8.182 ± 0.003 Å
b	14.222 ± 0.004 Å
c	7.709 ± 0.003 Å
α	90°
β	98.717 ± 0.005°
γ	90°
Cell volume	886.7 ± 0.5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180521 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/90.	7219029.cif
131132	2015-02-04	cif/ Updating files of 7219026, 7219027, 7219028, 7219029 Original log message: Adding full bibliography for 7219026--7219029.cif.	7219029.cif
128173	2014-12-06	cif/ Adding structures of 7219026, 7219027, 7219028, 7219029 via cif-deposit CGI script.	7219029.cif