Information card for entry 4317407

Structure parameters

• Formula: C15 H13 B F4 O
• Calculated formula: C15 H13 B F4 O
• SMILES: c12cc(C)cc(C)c1oc1c2cc[cH+]cc1.[B](F)(F)(F)[F-]
• Title of publication: Molybdenum Complexes with Linked Cycloheptatrienyl-Phenolate Ligands
• Authors of publication: Matthias Tamm; Thomas Bannenberg; Bernd Dreßel; Roland Fröhlich; Christiane Holst
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 47 - 59
• a: 7.012 ± 0.004 Å
• b: 16.498 ± 0.003 Å
• c: 12.121 ± 0.002 Å
• α: 90°
• β: 98.59 ± 0.03°
• γ: 90°
• Cell volume: 1386.5 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.2636
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.2486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No