Crystallography Open Database

Information card for entry 4110809

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Coordinates	4110809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H40 Cl2 F6 Ir P
Calculated formula	C31 H40 Cl2 F6 Ir P
Title of publication	d8 Rhodium and Iridium Complexes of Corannulene
Authors of publication	Jay S. Siegel; Kim K. Baldridge; Anthony Linden; Reto Dorta
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	10644 - 10645
a	11.8311 ± 0.0002 Å
b	12.0968 ± 0.0002 Å
c	12.5093 ± 0.0002 Å
α	110.005 ± 0.001°
β	95.7554 ± 0.0009°
γ	111.352 ± 0.001°
Cell volume	1514.23 ± 0.05 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 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	0.0501
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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