Crystallography Open Database

Information card for entry 4117919

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Coordinates	4117919.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	9.009 ± 0.002 Å
b	21.83 ± 0.005 Å
c	9.235 ± 0.002 Å
α	90°
β	114.064 ± 0.003°
γ	90°
Cell volume	1658.4 ± 0.6 Å³
Cell temperature	348 ± 2 K
Ambient diffraction temperature	348 ± 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	0.1036
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1631
Weighted residual factors for all reflections included in the refinement	0.1915
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4117919.cif
75057	2013-03-06	cif/ Adding structures of 4117919 via cif-deposit CGI script.	4117919.cif