Information card for entry 7719672

Structure parameters

• Formula: C36 H48 N7 V
• Calculated formula: C36 H48 N7 V
• Title of publication: Exploring early transition metal coordination: a synthetic and computational study of tripodal ligand complexes.
• Authors of publication: Moore, Jewelianna M.; Vaught, Brennan M.; Miller, Tabitha J.; Nunn, George; Elford, Lindsey S.; Gullett, Kelly L.; Walton, Paul H.; Fout, Alison R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 43
• Pages of publication: 16177 - 16182
• a: 10.5749 ± 0.0009 Å
• b: 20.9201 ± 0.0015 Å
• c: 14.2707 ± 0.0011 Å
• α: 90°
• β: 95.455 ± 0.004°
• γ: 90°
• Cell volume: 3142.8 ± 0.4 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No