Crystallography Open Database

Information card for entry 4079390

Preview

Coordinates	4079390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H165 Al4 Li5 O2 Ru6
Calculated formula	C84 H165 Al4 Li5 O2 Ru6
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	22.3854 ± 0.0008 Å
b	19.9019 ± 0.0007 Å
c	21.7509 ± 0.0008 Å
α	90°
β	93.43 ± 0.001°
γ	90°
Cell volume	9672.9 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
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	0.0318
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0666
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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