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Information card for entry 8101722
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Coordinates | 8101722.cif |
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Common name | Ind*(CO)3MoRu(CO)2Cp |
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Chemical name | (η^5^-indenyl) (η^5^-cyclopentadienyl) pentacarbonylcarbonyl molybdenum ruthenium |
Formula | C19 H12 Mo O5 Ru |
Calculated formula | C19 H12 Mo O5 Ru |
SMILES | [cH]12[c]34[c]5(cccc3)[cH]3[cH]1[Mo]2453(C#[O])(C#[O])C#[O].[Ru]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O] |
Title of publication | Crystal structure of (η^5^-indenyl) (η^5^-cyclopentadienyl) pentacarbonyl molybdenum ruthenium (Mo-Ru), (C~5~H~5~)(CO)~2~MoRu (CO)~3~(C~9~H~7~) |
Authors of publication | T. Straub; M. Nissinen |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2005 |
Journal volume | 220 |
Journal issue | 2 |
Pages of publication | 133 - 134 |
a | 10.0098 ± 0.0002 Å |
b | 8.7334 ± 0.0002 Å |
c | 19.445 ± 0.0006 Å |
α | 90° |
β | 97.046 ± 0.001° |
γ | 90° |
Cell volume | 1687.04 ± 0.07 Å3 |
Cell temperature | 173 ± 0.2 K |
Ambient diffraction temperature | 173 ± 0.2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0262 |
Residual factor for significantly intense reflections | 0.0229 |
Weighted residual factors for significantly intense reflections | 0.055 |
Weighted residual factors for all reflections included in the refinement | 0.0565 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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