Information card for entry 7010996

Structure parameters

• Formula: C24 H32 F12 Mo O6 P4
• Calculated formula: C24 H32 F12 Mo O6 P4
• SMILES: [Mo]12345678([P](OC)(OC)OC)([P](OC)(OC)OC)([cH]9[cH]1[c]12cccc[c]31[cH]49)[cH]1[cH]5[c]26[c]7(cccc2)[cH]81.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 12.447 ± 0.017 Å
• b: 18.044 ± 0.023 Å
• c: 14.977 ± 0.019 Å
• α: 90°
• β: 99.99 ± 0.01°
• γ: 90°
• Cell volume: 3313 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No