Crystallography Open Database

Information card for entry 7021810

Preview

Coordinates	7021810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57.5 H72.75 Br3.75 Ir N7 Rh2
Calculated formula	C57.5 H72.75 Br3.75 Ir0.99 N7 Rh2.01
Title of publication	Heterotrimetallic complexes of a phenylene-bridged tricarbene ligand.
Authors of publication	Maity, Ramananda; Schulte To Brinke, Christian; Hahn, F. Ekkehardt
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	36
Pages of publication	12857 - 12860
a	22.4122 ± 0.0004 Å
b	22.547 ± 0.0004 Å
c	22.8436 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	11543.5 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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