Crystallography Open Database

Information card for entry 4063868

Preview

Coordinates	4063868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60.5 H49 Cl3 F9 Ir O6 Os P4 S
Calculated formula	C60.5 H49 Cl3 F9 Ir O6 Os P4 S
Title of publication	Alkyne/Methylene Coupling at Adjacent Iridium/Osmium Centers: Facile Carbon−Carbon and Carbon−Oxygen Bond Formation
Authors of publication	MacDougall, Tiffany J.; Llamazares, Angela; Kuhnert, Oliver; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	5
Pages of publication	952
a	12.4449 ± 0.0009 Å
b	19.1398 ± 0.0014 Å
c	25.8758 ± 0.0019 Å
α	90°
β	97.674 ± 0.001°
γ	90°
Cell volume	6108.2 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
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	0.0299
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0674
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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