Crystallography Open Database

Information card for entry 2020714

2020713 << 2020714 >> 2020715

Preview

Coordinates	2020714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cr D20 N2 O14 S2
Calculated formula	Cr D20 N2 O14 S2
SMILES	[Cr]([O]([2H])[2H])([O]([2H])[2H])([O]([2H])[2H])[O]([2H])[2H].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].O([2H])[2H].O([2H])[2H].[N+]([2H])([2H])([2H])[2H].[N+]([2H])([2H])([2H])[2H]
Title of publication	The structure of (ND4)2Cr(SO4)2.6D2O at 4.3 K by neutron diffraction
Authors of publication	Figgis, Brian N.; Kucharski, Edward S.; Forsyth, J. Bruce
Journal of publication	Acta Crystallographica Section C
Year of publication	1991
Journal volume	47
Pages of publication	419 - 421
a	9.488 ± 0.002 Å
b	12.816 ± 0.004 Å
c	6.097 ± 0.002 Å
α	90°
β	107.11 ± 0.01°
γ	90°
Cell volume	708.6 ± 0.4 Å³
Ambient diffraction temperature	4.3 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.029
Diffraction radiation probe	neutron
Diffraction radiation wavelength	1.176 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191940 (current)	2017-02-09	cif/ Adding structures of 2020714 via cif-deposit CGI script.	2020714.cif