Information card for entry 7012979

Structure parameters

• Formula: C29 H45 N4 P V
• Calculated formula: C29 H45 N4 P V
• SMILES: [V]123(P(c4ccccc4)c4ccccc4)[N](=C(C)C=C(N2CC[N]3(CC)CC)C)CC[N]1(CC)CC
• Title of publication: Vanadium complexes incorporating the ?-diketiminato ligand L. Syntheses and structures of LV(OSO2CF3)2 and LVPPh2
• Authors of publication: Neculai, Dante; Mirela Neculai, Ana; Roesky, Herbert W.; Herbst-Irmer, Regine; Walfort, Bernhard; Stalke, Dietmar
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 14
• Pages of publication: 2831
• a: 12.74 ± 0.003 Å
• b: 14.466 ± 0.003 Å
• c: 15.247 ± 0.003 Å
• α: 90°
• β: 93.55 ± 0.03°
• γ: 90°
• Cell volume: 2804.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No