Crystallography Open Database

Information card for entry 1548349

Preview

Coordinates	1548349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al2 Co1.13 H11.223 O20 P4
Calculated formula	Al2 Co1.129 H11.224 O20 P4
Title of publication	Hydrogen positions in single nanocrystals revealed by electron diffraction
Authors of publication	Palatinus, Lukáš; Brázda, Petr; Boullay, Philippe; Perez, Olivier; Klementová, Mariana; Petit, Sebastien; Eigner, Václav; Zaarour, Moussa; Mintova, Svetlana
Journal of publication	Science
Year of publication	2017
Journal volume	355
Journal issue	6321
Pages of publication	166 - 169
a	8.4589 ± 0.0006 Å
b	16.5069 ± 0.0005 Å
c	5.0726 ± 0.0002 Å
α	90°
β	90.086 ± 0.005°
γ	90°
Cell volume	708.29 ± 0.06 Å³
Cell temperature	94.98 ± 0.1 K
Ambient diffraction temperature	94.98 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0305
Weighted residual factors for all reflections included in the refinement	0.0322
Goodness-of-fit parameter for significantly intense reflections	1.44
Goodness-of-fit parameter for all reflections included in the refinement	1.39
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
203861 (current)	2017-12-01	cif/ Adding structures of 1548349 via cif-deposit CGI script.	1548349.cif