Crystallography Open Database

Information card for entry 4067714

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Coordinates	4067714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H35 F6 N2 O P Ru
Calculated formula	C31 H35 F6 N2 O P Ru
Title of publication	Reactions of Cyclometalated Oxazoline Half-Sandwich Complexes of Iridium and Ruthenium with Alkynes and CO
Authors of publication	Davies, David L.; Al-Duaij, Omar; Fawcett, John; Singh, Kuldip
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	6
Pages of publication	1413
a	15.3684 ± 0.0008 Å
b	8.6735 ± 0.0005 Å
c	22.3405 ± 0.0012 Å
α	90°
β	96.764 ± 0.001°
γ	90°
Cell volume	2957.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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