Crystallography Open Database

Information card for entry 4121013

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Structure parameters

Formula	C114 H96 N2 O2 P4 Rh2
Calculated formula	C114 H96 N2 O2 P4 Rh2
SMILES	[Rh]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[O]=C(O1)c1c2ccc[n]3[Rh]([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)n4c(c23)c1ccc4.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
Title of publication	Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C-H Activations: From Spectator Metals to Metal-Free
Authors of publication	Vincent T. Annibale; Daniel A. Dalessandro; Datong Song
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	16175 - 16183
a	13.1773 ± 0.001 Å
b	13.8413 ± 0.0011 Å
c	25.516 ± 0.002 Å
α	86.638 ± 0.004°
β	82.439 ± 0.004°
γ	86.857 ± 0.004°
Cell volume	4600.3 ± 0.6 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	0.1169
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1369
Weighted residual factors for all reflections included in the refinement	0.159
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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