Information card for entry 4122430

Structure parameters

• Formula: C55 H58 N5 V
• Calculated formula: C55 H58 N5 V
• SMILES: c1(C2c3cccc4C(c5ccccc5)=[N](c5c(cccc5C(C)C)C(C)C)[V]([N]=2c2c(cccc2C(C)C)C(C)C)([n]34)(Nc2ccccc2)=Nc2ccccc2)ccccc1
• Title of publication: N-N Bond Cleavage of 1,2-Diarylhydrazines and N-H Bond Formation via H-Atom Transfer in Vanadium Complexes Supported by a Redox-Active Ligand.
• Authors of publication: Milsmann, Carsten; Semproni, Scott P.; Chirik, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 34
• Pages of publication: 12099
• a: 9.095 ± 0.005 Å
• b: 25.897 ± 0.005 Å
• c: 19.745 ± 0.005 Å
• α: 90°
• β: 98.202 ± 0.005°
• γ: 90°
• Cell volume: 4603 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0525
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No