Information card for entry 7040288

Structure parameters

• Formula: C42 H48 N4 O3 V
• Calculated formula: C42 H48 N4 O3 V
• SMILES: [V]123(Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)C=[N]2c2c([N]3=Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O1)cc1nc3ccccc3nc1c2)=O
• Title of publication: Solid state π-π stacking and higher order dimensional crystal packing, reactivity, and electrochemical behaviour of salphenazine actinide and transition metal complexes.
• Authors of publication: Hardy, E. E.; Eddy, M. A.; Maynard, B. A.; Gorden, A. E. V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 36
• Pages of publication: 14243 - 14251
• a: 10.5213 ± 0.0004 Å
• b: 12.7581 ± 0.0005 Å
• c: 16.9448 ± 0.0006 Å
• α: 77.715 ± 0.001°
• β: 74.447 ± 0.001°
• γ: 79.226 ± 0.001°
• Cell volume: 2120.59 ± 0.14 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0591
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No