Crystallography Open Database

Information card for entry 4100875

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Coordinates	4100875.cif

Structure parameters

Formula	C60 H53 B F4 P2 Ru
Calculated formula	C60 H53 B F4 P2 Ru
SMILES	[Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([P](c6ccccc6)(c6ccccc6)c6ccccc6)([CH]6[CH]1=CC(CC=6C)(c1ccccc1)c1ccccc1)[cH]1[cH]5[cH]4[cH]3[cH]21.[B](F)(F)(F)[F-]
Authors of publication	Ober, Matthias; Müller, Heiko; Pieck, Carsten; Gierlich, Johannes; Carell, Thomas
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
a	12.3577 ± 0.0002 Å
b	21.2622 ± 0.0004 Å
c	19.8755 ± 0.0003 Å
α	90°
β	106.17 ± 0.001°
γ	90°
Cell volume	5015.73 ± 0.15 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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