Crystallography Open Database

Information card for entry 4117918

Preview

Coordinates	4117918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H15 N4 O12 P3 Zn
Calculated formula	C6 H15 N4 O12 P3 Zn
Title of publication	Coordination-Network-Based Ionic Plastic Crystal for Anhydrous Proton Conductivity
Authors of publication	Satoshi Horike; Daiki Umeyama; Munehiro Inukai; Tomoya Itakura; Susumu Kitagawa
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	7612 - 7615
a	9.0559 ± 0.0014 Å
b	21.526 ± 0.003 Å
c	9.1804 ± 0.0015 Å
α	90°
β	114.203 ± 0.0016°
γ	90°
Cell volume	1632.3 ± 0.4 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	0.943
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
178950 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/79.	4117918.cif
75056	2013-03-06	cif/ Adding structures of 4117918 via cif-deposit CGI script.	4117918.cif