Crystallography Open Database

Information card for entry 4330267

Preview

Coordinates	4330267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H44 Al6 N10 O70 Th2
Calculated formula	C20 H44 Al6 N10 O70 Th2
Title of publication	Synthesis and Structural Characterization of Heterometallic Thorium Aluminum Polynuclear Molecular Clusters
Authors of publication	Melissa Fairley; Daniel K. Unruh; Samangi Abeysinghe; Tori Z. Forbes
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9491 - 9498
a	11.1979 ± 0.0012 Å
b	14.2103 ± 0.0016 Å
c	23.115 ± 0.003 Å
α	90°
β	96.375 ± 0.002°
γ	90°
Cell volume	3655.4 ± 0.7 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179405 (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 4/33/02.	4330267.cif
79518	2013-04-05	cif/ Adding structures of 4330267 via cif-deposit CGI script.	4330267.cif