Information card for entry 7010413

Structure parameters

• Common name: [2-(_7-C7H7)-7,11-F2-2,1-MoTeB10H8]
• Formula: C7 H15 B10 F2 Mo Te
• Calculated formula: C7 H15 B10 F2 Mo Te
• SMILES: [Te]1234[Mo]56789%10%11%12%13([cH]%14[cH]5[cH]6[cH]7[cH]8[cH]9[cH]%10%14)[BH]561[BH]172[BH]283[BH]34%11[BH]498[BH]872[BH]261[B]1%125(F)[B]%1334(F)[BH]9821
• Title of publication: Synthesis, structure, spectroscopic and electrochemical study of the paramagnetic compound [2-(η7-C7H7)-7,11-F2-2,1-closo-MoTeB10H8]
• Authors of publication: Fabrizia Fabrizi di Biani; Franco Laschi; Piero Zanello; George Ferguson; James Trotter; Gerald M. O'Riordan; Trevor R. Spalding
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 1520 - 1523
• a: 16.7598 ± 0.0018 Å
• b: 12.55 ± 0.0011 Å
• c: 7.2607 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1527.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No