Information card for entry 2220433

Structure parameters

• Chemical name: Bis(η^7^-cycloheptatrienyl)tri-μ-hydrido-dimolybdenum(0,I)
• Formula: C14 H17 Mo2
• Calculated formula: C14 H17 Mo2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]6[Mo]789%101345([H][Mo]1345%11%128([H]7)([cH]7[cH]1[cH]4[cH]%11[cH]%12[cH]5[cH]37)[H]%10)[cH]2C69
• Title of publication: Bis(η^7^-cycloheptatrienyl)tri-μ-hydrido-dimolybdenum(0,I)
• Authors of publication: Jones, Peter G.; Hrib, Cristian G.; Randoll, Sören; Wu, Xian; Tamm, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m96
• a: 17.844 ± 0.002 Å
• b: 11.3036 ± 0.0016 Å
• c: 6.2981 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1270.3 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.0154
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes