Crystallography Open Database

Information card for entry 4079389

Preview

Coordinates	4079389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H69 Al2 Li O6.25 Ru2
Calculated formula	C31.999 H68.61 Al2 Li O6.247 Ru2
Title of publication	Novel Ruthenium(II) Aluminate Anions: Building Blocks of Unique Cage Structures
Authors of publication	Plois, Markus; Wiegand, Thomas; Wolf, Robert
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	24
Pages of publication	8469
a	14.8407 ± 0.0005 Å
b	15.1053 ± 0.0005 Å
c	18.7324 ± 0.0007 Å
α	87.778 ± 0.001°
β	89.739 ± 0.001°
γ	83.582 ± 0.001°
Cell volume	4169.8 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 1 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	0.0371
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0654
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
178682 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/93.	4079389.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079389.cif
72422	2013-01-21	cif/ Adding structures of 4079389, 4079390, 4079391, 4079392, 4079393 via cif-deposit CGI script.	4079389.cif