Information card for entry 4078362

Structure parameters

• Formula: C29 H38 Cl Mo P3
• Calculated formula: C29 H38 Cl Mo P3
• SMILES: [Mo]1234(Cl)([P](C)(C)c5ccccc5)([P](C)(C)c5ccccc5)([P](C)(C)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Four-Legged Piano Stool Molybdenum(II) Compounds without Carbonyl Ligands. 4. Cyclopentadienylmolybdenum(II) Complexes with 16-Electron and 18-Electron Configurations
• Authors of publication: Abugideiri, Fatima; Fettinger, James C.; Keogh, D. Webster; Poli, Rinaldo
• Journal of publication: Organometallics
• Year of publication: 1996
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 4407
• a: 11.7902 ± 0.0008 Å
• b: 15.2863 ± 0.0011 Å
• c: 16.2122 ± 0.0011 Å
• α: 90°
• β: 105.288 ± 0.006°
• γ: 90°
• Cell volume: 2818.5 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1022
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections: 0.121
• Weighted residual factors for significantly intense reflections: 0.1067
• Goodness-of-fit parameter for all reflections: 1.117
• Goodness-of-fit parameter for significantly intense reflections: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No