Information card for entry 4077232

Structure parameters

• Formula: C19 H31 B F4
• Calculated formula: C19 H31 B F4
• SMILES: C1(=CC(=C[C+](C=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C.[B](F)(F)(F)[F-]
• Title of publication: Molybdenum Complexes with Sterically Demanding Cycloheptatrienyl Ligands
• Authors of publication: Tamm, Matthias; Bannenberg, Thomas; Dressel, Bernd; Fröhlich, Roland; Kunz, Doris
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 5
• Pages of publication: 900
• a: 10.223 ± 0.005 Å
• b: 10.936 ± 0.003 Å
• c: 18.195 ± 0.006 Å
• α: 90°
• β: 101.57 ± 0.04°
• γ: 90°
• Cell volume: 1992.8 ± 1.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• 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: 0.1625
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No