Crystallography Open Database

Information card for entry 4073000

Preview

Coordinates	4073000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.25 H47 P2 Ru
Calculated formula	C39 H44 P2 Ru
SMILES	[Ru]1234([P](C5CCCCC5)C5CCCCC5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[c]13cccc[c]451
Title of publication	A Highly Reactive Ruthenium Phosphido Complex Exhibiting Ru−P π-Bonding
Authors of publication	Derrah, Eric J.; Pantazis, Dimitrios A.; McDonald, Robert; Rosenberg, Lisa
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	6
Pages of publication	1473
a	10.3907 ± 0.0013 Å
b	13.5621 ± 0.0016 Å
c	25.866 ± 0.003 Å
α	90°
β	100.432 ± 0.002°
γ	90°
Cell volume	3584.8 ± 0.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
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	0.094
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1434
Weighted residual factors for all reflections included in the refinement	0.1576
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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