Information card for entry 2209329

Structure parameters

• Chemical name: 4,7-phenanthrolin-4-ium perrhenate
• Formula: C12 H9 N2 O4 Re
• Calculated formula: C12 H9 N2 O4 Re
• SMILES: c1ccc2c3cccnc3ccc2[nH+]1.[O-][Re](=O)(=O)=O
• Title of publication: 4,7-Phenanthrolin-4-ium perrhenate
• Authors of publication: Li Xian-Ping; Mei Guang-Quan; Huang Hai-Ping; Li Yi-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1281 - m1282
• a: 7.8374 ± 0.0016 Å
• b: 20.84 ± 0.004 Å
• c: 7.528 ± 0.0015 Å
• α: 90°
• β: 92.95 ± 0.03°
• γ: 90°
• Cell volume: 1227.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.04
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes