Information card for entry 7010995

Structure parameters

• Formula: C18 H14 Br2 Mo
• Calculated formula: C18 H14 Br2 Mo
• SMILES: [Mo]12345678(Br)(Br)([cH]9[c]%101cccc[c]2%10[cH]3[cH]49)[cH]1[cH]5[c]26[c]7(cccc2)[cH]81
• Title of publication: Bis-indenyl molybdenum(IV) halide complexes: synthesis and X-ray studies
• Authors of publication: Michael G. B. Drew; Vitor Félix; Carlos C. Romão; Beatriz Royo
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 4
• Pages of publication: 584 - 590
• a: 15.134 ± 0.017 Å
• b: 14.522 ± 0.019 Å
• c: 29.774 ± 0.033 Å
• α: 90°
• β: 104.27 ± 0.01°
• γ: 90°
• Cell volume: 6342 ± 13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1382
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No