Crystallography Open Database

Information card for entry 4334613

Preview

Coordinates	4334613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H220 O78 Ti28
Calculated formula	C88 H220 O78 Ti28
Title of publication	Nanosized Alkali-Metal-Doped Ethoxotitanate Clusters
Authors of publication	Yang Chen; Elzbieta Trzop; Anna Makal; Jesse D. Sokolow; Philip Coppens
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4750 - 4752
a	35.991 ± 0.008 Å
b	25.464 ± 0.01 Å
c	22.218 ± 0.004 Å
α	90°
β	126.5 ± 0.03°
γ	90°
Cell volume	16368 ± 10 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1391
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.1577
Weighted residual factors for all reflections included in the refinement	0.1829
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
179449 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/46.	4334613.cif
100483	2014-02-06	cif/ Adding structures of 4334613 via cif-deposit CGI script.	4334613.cif