Crystallography Open Database

Information card for entry 4336047

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Structure parameters

Formula	C141 H123 O3 U
Calculated formula	C141 H123 O3 U
SMILES	[U]123456(Oc7c(cc(cc7C(c7ccccc7)c7ccccc7)C)C([c]71[cH]2[cH]3[cH]4[cH]5[cH]67)c1ccccc1)(Oc1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)Oc1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
Title of publication	Uranium(III) Complexes with Bulky Aryloxide Ligands Featuring Metal-Arene Interactions and Their Reactivity Toward Nitrous Oxide
Authors of publication	Sebastian M. Franke; Ba L. Tran; Frank W. Heinemann; Wolfgang Hieringer; Daniel J. Mindiola; Karsten Meyer
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10552 - 10558
a	18.122 ± 0.003 Å
b	14.25 ± 0.001 Å
c	45.534 ± 0.004 Å
α	90°
β	113.209 ± 0.01°
γ	90°
Cell volume	10807 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0625
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.215
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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