Information card for entry 4317411

Structure parameters

• Formula: C43 H38 Mo O3 P2
• Calculated formula: C43 H38 Mo O3 P2
• SMILES: [Mo]1234(C5(C=CC=C[CH]1=[CH]25)c1cc(cc(c1O3)C)C)(C#[O])(C#[O])[P](CC[P]4(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Molybdenum Complexes with Linked Cycloheptatrienyl-Phenolate Ligands
• Authors of publication: Matthias Tamm; Thomas Bannenberg; Bernd Dreßel; Roland Fröhlich; Christiane Holst
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 47 - 59
• a: 10.202 ± 0.001 Å
• b: 10.211 ± 0.001 Å
• c: 19.783 ± 0.001 Å
• α: 92.62 ± 0.01°
• β: 98.02 ± 0.01°
• γ: 119.01 ± 0.01°
• Cell volume: 1769.3 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No