Crystallography Open Database

Information card for entry 7226709

Preview

Coordinates	7226709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H22 Al N2 Na O12
Calculated formula	C10 H22 Al N2 Na O12
SMILES	[Al](OC=O)(OC=O)(OC=O)(OC=O)(OC=O)OC=O.[Na+].C(C)[NH3+].C(C)[NH3+]
Title of publication	Phase transitions and chromium(iii) luminescence in perovskite-type [C2H5NH3][Na0.5CrxAl0.5-x(HCOO)3] (x = 0, 0.025, 0.5), correlated with structural, dielectric and phonon properties.
Authors of publication	Ptak, Maciej; Mączka, Mirosław; Gągor, Anna; Sieradzki, Adam; Bondzior, Bartosz; Dereń, Przemysław; Pawlus, S.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2016
Journal volume	18
Journal issue	42
Pages of publication	29629 - 29640
a	8.0388 ± 0.0006 Å
b	9.3156 ± 0.0011 Å
c	12.0288 ± 0.0013 Å
α	90°
β	90.792 ± 0.008°
γ	90°
Cell volume	900.71 ± 0.16 Å³
Cell temperature	375 ± 2 K
Ambient diffraction temperature	375 ± 2 K
Number of distinct elements	6
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	0.0931
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1456
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
188320 (current)	2016-11-08	cif/ Updating files of 7226709, 7226710, 7226711, 7226712 Original log message: Adding full bibliography for 7226709--7226712.cif.	7226709.cif
186929	2016-10-05	cif/ Adding structures of 7226709, 7226710, 7226711, 7226712 via cif-deposit CGI script.	7226709.cif