Crystallography Open Database

Information card for entry 7237838

Preview

Coordinates	7237838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H22 Cr N2 Na O12
Calculated formula	C10 H22 Cr N2 Na O12
SMILES	C(=O)O[Cr](OC=O)(OC=O)(OC=O)(OC=O)OC=O.[Na+].C(C)[NH3+].C([NH3+])C
Title of publication	Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework
Authors of publication	Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	28
Pages of publication	8660
a	8.0675 ± 0.0004 Å
b	9.0842 ± 0.0006 Å
c	11.893 ± 0.006 Å
α	90°
β	91.055 ± 0.013°
γ	90°
Cell volume	871.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.41134 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238661 (current)	2019-11-24	cif/ Adding structures of 7237837, 7237838, 7237839, 7237840, 7237841, 7237842, 7237843, 7237844, 7237845, 7237846, 7237847, 7237848, 7237849 via cif-deposit CGI script.	7237838.cif