Information card for entry 4071720

Structure parameters

• Formula: C46 H54 B N2 O V
• Calculated formula: C46 H54 B N2 O V
• SMILES: [V]1234([O]5CCCC5)(=Nc5ccc(cc5)C)(N(C(C)C)C(C)C)[cH]5[cH]1[cH]2[cH]3[cH]45.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Relative Reactivity of the Metal−Amido versus Metal−Imido Bond in Linked Cp-Amido and Half-Sandwich Complexes of Vanadium
• Authors of publication: Bouwkamp, Marco W.; Batinas, Aurora A.; Witte, Peter T.; Hubregtse, Ton; Dam, Jeroen; Meetsma, Auke; Teuben, Jan H.; Hessen, Bart
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 16
• Pages of publication: 4071
• a: 9.2873 ± 0.0009 Å
• b: 12.827 ± 0.001 Å
• c: 16.83 ± 0.002 Å
• α: 93.63 ± 0.002°
• β: 94.974 ± 0.002°
• γ: 104.1 ± 0.001°
• Cell volume: 1929.8 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2059
• Weighted residual factors for all reflections included in the refinement: 0.2313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No