Crystallography Open Database

Information card for entry 4071499

Preview

Coordinates	4071499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.5 H34 B F10 Ir N2
Calculated formula	C39.5 H34 B F10 Ir N2
Title of publication	Chemical Behavior of a Pair of (COD)CpRh and −Ir Complexes with Pendant Peripheral −B(C6F5)2Groups†
Authors of publication	Herrmann, Christoph; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	10
Pages of publication	2328
a	9.378 ± 0.001 Å
b	11.921 ± 0.001 Å
c	17.189 ± 0.001 Å
α	70.04 ± 0.01°
β	79.63 ± 0.01°
γ	79.52 ± 0.01°
Cell volume	1761.6 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 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	0.0495
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0805
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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