Information card for entry 7108577

Structure parameters

• Formula: C39 H55 Li N6 O4 V2
• Calculated formula: C39 H55 Li N6 O4 V2
• SMILES: [V]12345678([V]9%10%11([NH]1c1ccccc1[NH]29)(Nc1ccccc1N%10)[NH]3c1ccccc1[NH]4%11)[cH]1[cH]5[cH]6[cH]7[cH]81.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: The redox effect of the [1,2-(NH)2C6H4]^2-^ ligand in the formation of transition metal compounds
• Authors of publication: Francesca A. Stokes; Lars Kloo; Yaokang Lv; Philip J. Harford; Andrew E. H. Wheatley; Dominic S. Wright
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11298
• a: 15.3041 ± 0.0001 Å
• b: 20.2762 ± 0.0003 Å
• c: 13.8669 ± 0.0002 Å
• α: 90°
• β: 114.35 ± 0.03°
• γ: 90°
• Cell volume: 3920.2 ± 0.9 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No