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Information card for entry 4089504
Preview
Coordinates | 4089504.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H14 Mo O2 |
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Calculated formula | C17 H14 Mo O2 |
SMILES | [Mo]123456(C#[O])([cH]7c8ccccc8[cH]1[c]37C)(C#[O])[cH]1[cH]6[cH]2[cH]4[cH]51 |
Title of publication | Toward the Synthesis of Indenyl Molybdenum Compound [(η3-Ind)(η5-Cp)Mo(CO)2]: Modified Compounds and Structure of a Previously Unrecognized Intermediate |
Authors of publication | Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Lodinský, Jakub; Dostál, Libor; Padělková, Zdeňka |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 12 |
Pages of publication | 3502 |
a | 11.13 ± 0.0006 Å |
b | 6.304 ± 0.0002 Å |
c | 20.0651 ± 0.0016 Å |
α | 90° |
β | 96.324 ± 0.005° |
γ | 90° |
Cell volume | 1399.27 ± 0.14 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 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 | 0.0347 |
Residual factor for significantly intense reflections | 0.0265 |
Weighted residual factors for significantly intense reflections | 0.0599 |
Weighted residual factors for all reflections included in the refinement | 0.0645 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4089504.html
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