Crystallography Open Database

Information card for entry 4075574

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H51 B9 Ir2 O Se2
Calculated formula	C33 H51 B9 Ir2 O Se2
Title of publication	Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand
Authors of publication	Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	14
Pages of publication	3508
a	12.388 ± 0.008 Å
b	17.128 ± 0.01 Å
c	19.889 ± 0.012 Å
α	90°
β	91.302 ± 0.01°
γ	90°
Cell volume	4219 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1293
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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