Information card for entry 2207859

Structure parameters

• Chemical name: 2,2':6',2''-Terpyridinium perrhenate
• Formula: C15 H12 N3 O4 Re
• Calculated formula: C15 H12 N3 O4 Re
• SMILES: [Re]([O-])(=O)(=O)=O.[nH+]1ccccc1c1nc(ccc1)c1ncccc1
• Title of publication: 2,2':6',2''-Terpyridinium perrhenate
• Authors of publication: Andrzej Kochel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m37 - m38
• a: 6.112 ± 0.004 Å
• b: 10.796 ± 0.002 Å
• c: 11.806 ± 0.002 Å
• α: 76.18 ± 0.03°
• β: 87.12 ± 0.03°
• γ: 74.16 ± 0.03°
• Cell volume: 727.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.073
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes