Crystallography Open Database

Information card for entry 7108793

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Coordinates	7108793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H53 Cl2 F6 Ir2 N6 P
Calculated formula	C41 H53 Cl2 F5 Ir2 N6 P0.833333
Title of publication	Metal center dependent coordination modes of a tricarbene ligand
Authors of publication	Ramananda Maity; Arnab Rit; Christian Schulte to Brinke; Constantin G. Daniliuc; F. Ekkehardt Hahn
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	49
Pages of publication	1011
a	26.9202 ± 0.0006 Å
b	26.9202 ± 0.0006 Å
c	34.3435 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	21554.2 ± 1.1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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