Crystallography Open Database

Information card for entry 7028477

Preview

Coordinates	7028477.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81.2 H206 Mn O78.6 Ti28
Calculated formula	C81.2 H204 Mn O78.6 Ti28
Title of publication	A novel manganese-doped large polyoxotitanate nanocluster.
Authors of publication	Chen, Yang; Trzop, Elzbieta; Makal, Anna; Chen, Yu-Sheng; Coppens, Philip
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	10
Pages of publication	3839 - 3841
a	16.4916 ± 0.0014 Å
b	16.389 ± 0.0014 Å
c	28.717 ± 0.002 Å
α	89.854 ± 0.002°
β	97.37 ± 0.002°
γ	107.859 ± 0.002°
Cell volume	7321.1 ± 1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0958
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1572
Weighted residual factors for all reflections included in the refinement	0.1704
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7028477.cif
105334	2014-03-12	cif/ Adding structures of 7028477 via cif-deposit CGI script.	7028477.cif