Information card for entry 7117484

Structure parameters

• Formula: C34 H30 N5 Nb O13
• Calculated formula: C34 H30 N5 Nb O13
• Title of publication: Relatively strong intramolecular antiferromagnetic coupling in a neutral CrIII2NbV2 heterobimetallic molecular square
• Authors of publication: Willian X. C. Oliveira; Cynthia L. M. Pereira; Carlos B. Pinheiro; Joan Cano; Francesc Lloret; Miguel Julve
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 11806
• a: 8.934 ± 0.0012 Å
• b: 11.3774 ± 0.001 Å
• c: 17.883 ± 0.002 Å
• α: 78.587 ± 0.009°
• β: 78.363 ± 0.011°
• γ: 70.115 ± 0.01°
• Cell volume: 1657.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0706
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No