Crystallography Open Database

Information card for entry 4077848

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Coordinates	4077848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H64 Ge5 Ir3 O7
Calculated formula	C81 H64 Ge5 Ir3 O7
Title of publication	α-Cleavage of Phenyl Groups from GePh3Ligands in Iridium Carbonyl Cluster Complexes. A Mechanism and Its Role in the Synthesis of Bridging Germylene Ligands
Authors of publication	Adams, Richard D.; Fang, Fang; Zhang, Qiang; Hall, Michael B.; Trufan, Eszter
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	7
Pages of publication	2621
a	24.9277 ± 0.001 Å
b	20.8199 ± 0.0008 Å
c	29.1842 ± 0.0011 Å
α	90°
β	94.232 ± 0.001°
γ	90°
Cell volume	15105.1 ± 1 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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