Crystallography Open Database

Information card for entry 7002097

7002096 << 7002097 >> 7002098

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Coordinates	7002097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H63 N2 O2 P2 Ru
Calculated formula	C58 H63 N2 O2 P2 Ru
Title of publication	[Ru(NHC)(xantphos)(CO)H2] complexes: intramolecular C‒H activation and applications in C‒C bond formation
Authors of publication	Ledger, Araminta E. W.; Mahon, Mary F.; Whittlesey, Michael K.; Williams, Jonathan M. J.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	35
Pages of publication	6941
a	11.545 ± 0.0002 Å
b	12.483 ± 0.0002 Å
c	19.488 ± 0.0003 Å
α	103.174 ± 0.001°
β	95.791 ± 0.001°
γ	114.276 ± 0.001°
Cell volume	2432.16 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0868
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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