Crystallography Open Database

Information card for entry 4079392

Preview

Coordinates	4079392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H104 Al4 Li4 O4 Ru2
Calculated formula	C48 H104 Al4 Li4 O4 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	12.593 ± 0.0012 Å
b	13.4952 ± 0.0013 Å
c	18.7452 ± 0.0018 Å
α	90°
β	105.334 ± 0.001°
γ	90°
Cell volume	3072.2 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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