Crystallography Open Database

Information card for entry 4330268

Preview

Coordinates	4330268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H56 Al8 N8 O83 Th2
Calculated formula	C44 H56 Al8 N8 O83 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	13.136 ± 0.004 Å
b	14.481 ± 0.004 Å
c	15.819 ± 0.004 Å
α	78.48 ± 0.009°
β	65.666 ± 0.008°
γ	78.272 ± 0.008°
Cell volume	2661.8 ± 1.3 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
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.	4330268.cif
79519	2013-04-05	cif/ Adding structures of 4330268 via cif-deposit CGI script.	4330268.cif