Crystallography Open Database

Information card for entry 4130444

Preview

Coordinates	4130444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H5 N3 O4 P Zn0.5
Calculated formula	C2 H5 N3 O4 P Zn0.5
Title of publication	Encapsulating Mobile Proton Carriers into Structural Defects in Coordination Polymer Crystals: High Anhydrous Proton Conduction and Fuel Cell Application.
Authors of publication	Inukai, Munehiro; Horike, Satoshi; Itakura, Tomoya; Shinozaki, Ryota; Ogiwara, Naoki; Umeyama, Daiki; Nagarkar, Sanjog S.; Nishiyama, Yusuke; Malon, Michal; Hayashi, Akari; Ohhara, Takashi; Kiyanagi, Ryoji; Kitagawa, Susumu
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	27
Pages of publication	8505 - 8511
a	8.4676 ± 0.0018 Å
b	9.549 ± 0.002 Å
c	15.57 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1258.9 ± 0.4 Å³
Cell temperature	77 K
Ambient diffraction temperature	77 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1513
Weighted residual factors for all reflections included in the refinement	0.1515
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	1 Å
Diffraction radiation type	neutrons
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
240877 (current)	2019-11-25	cif/ Adding structures of 4130444 via cif-deposit CGI script.	4130444.cif