Information card for entry 4078363

Structure parameters

• Formula: C36 H39 Cl Mo P2
• Calculated formula: C36 H39 Cl Mo P2
• SMILES: [Mo]12345(Cl)([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• 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: 11.1404 ± 0.0012 Å
• b: 17.6283 ± 0.0015 Å
• c: 16.936 ± 0.002 Å
• α: 90°
• β: 107.922 ± 0.009°
• γ: 90°
• Cell volume: 3164.6 ± 0.6 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: 0.0649
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.0812
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No