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Information card for entry 4326577
Preview
Coordinates | 4326577.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (eta6-C6H6)MoI2(CNArDipp2)2 |
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Formula | C68 H80 I2 Mo N2 |
Calculated formula | C68 H80 I2 Mo N2 |
SMILES | [Mo]12345(I)(I)(C#[N]c6c(cccc6c6c(cccc6C(C)C)C(C)C)c6c(cccc6C(C)C)C(C)C)(C#[N]c6c(cccc6c6c(cccc6C(C)C)C(C)C)c6c(cccc6C(C)C)C(C)C)[cH]6[cH]1[cH]2[cH]3[cH]4[cH]56 |
Title of publication | Oxidative Decarbonylation of m-Terphenyl Isocyanide Complexes of Molybdenum and Tungsten: Precursors to Low-Coordinate Isocyanide Complexes |
Authors of publication | Treffly B. Ditri; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 10448 - 10459 |
a | 15.891 ± 0.009 Å |
b | 18.193 ± 0.01 Å |
c | 22.629 ± 0.012 Å |
α | 90° |
β | 110.253 ± 0.007° |
γ | 90° |
Cell volume | 6138 ± 6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0495 |
Residual factor for significantly intense reflections | 0.0353 |
Weighted residual factors for significantly intense reflections | 0.0769 |
Weighted residual factors for all reflections included in the refinement | 0.0836 |
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 | No |
Has Fobs | No |
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