Crystallography Open Database

Information card for entry 4112470

Preview

Coordinates	4112470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H167 B2 F48 P6 Rh6
Calculated formula	C124 H164 B2 F49 P6 Rh6
Title of publication	[(iPr3P)6Rh6H12]2+: A High-Hydride Content Octahedron that Bridges the Gap between Late and Early Transition Metal Clusters
Authors of publication	Michael J. Ingleson; Mary F. Mahon; Paul R. Raithby; Andrew S. Weller
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	4784 - 4785
a	13.337 ± 0.0001 Å
b	17.418 ± 0.0002 Å
c	17.832 ± 0.0002 Å
α	73.225 ± 0.001°
β	68.281 ± 0.001°
γ	88.46 ± 0.001°
Cell volume	3669.7 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0477
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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