Information card for entry 2004290

Structure parameters

• Formula: C30 H44 Mo2 N2 O4
• Calculated formula: C30 H44 Mo2 N2 O4
• SMILES: [c]12([c]3([c]4([Mo]513(C#[O])([c]4([c]25CCN(C)C)C)(C#[O])[Mo]1234([c]5([c]1([c]2([c]3([c]45CCN(C)C)C)C)C)C)(C#[O])C#[O])C)C)C
• Title of publication: Non-Coordination of the Dimethylamino Group in a Dinuclear Molybdenum Complex with the 1-[2-(Dimethylamino)ethyl]-2,3,4,5-tetramethylcyclopentadienyl Ligand
• Authors of publication: Stammler, H.-G.; Jutzi, P.; Neumann, B.; Kristen, M. O.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2496 - 2498
• a: 9.561 ± 0.002 Å
• b: 16.723 ± 0.004 Å
• c: 10.536 ± 0.003 Å
• α: 90°
• β: 115.87 ± 0.02°
• γ: 90°
• Cell volume: 1515.8 ± 0.7 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 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: 0.1282
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections: 0.222
• Weighted residual factors for significantly intense reflections: 0.1482
• Goodness-of-fit parameter for all reflections: 1.009
• Goodness-of-fit parameter for significantly intense reflections: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No