Crystallography Open Database

Information card for entry 4108583

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Coordinates	4108583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H138 N6 P6 Rh3
Calculated formula	C81 H138 N6 P6 Rh3
Title of publication	Competitive C-I versus C-CN Reductive Elimination from a RhIII Complex. Selectivity is Controlled by the Solvent
Authors of publication	Moran Feller; Mark A. Iron; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; David Milstein
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	14374 - 14375
a	17.1419 ± 0.0004 Å
b	27.4558 ± 0.0008 Å
c	19.2037 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	9038.1 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1391
Goodness-of-fit parameter for all reflections included in the refinement	1.174
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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