Crystallography Open Database

Information card for entry 7116945

Preview

Coordinates	7116945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 K N9 O8.5
Calculated formula	C22 K N9 O8.5
Title of publication	Formation of a nanometer-thick water layer at high humidity on a dynamic crystalline material composed of multi-interactive molecules
Authors of publication	Yumi Yakiyama; Gil Ryeong Lee; Sung Yeon Kim; Yoshitaka Matsushita; Yasushi Morita; Moon Jeong Park; Masaki Kawano
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	6828
a	24.131 ± 0.005 Å
b	19.458 ± 0.002 Å
c	16.672 ± 0.004 Å
α	90°
β	122.52 ± 0.02°
γ	90°
Cell volume	6601 ± 3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.10199
RFsqd	0.10349
Residual factor R(I) for significantly intense reflections	0.06738
Goodness-of-fit parameter for all reflections	1.001
Method of determination	powder diffraction
Diffraction radiation wavelength	1.4639 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7116945.cif
134648	2015-04-03	cif/ Adding structures of 7116942, 7116943, 7116944, 7116945 via cif-deposit CGI script.	7116945.cif