Information card for entry 2203205

Structure parameters

• Common name: [PV2+]2[Br-]^.^MeOH'
• Chemical name: N,N'-Dibenzyl-4,7-phenanthrolinium dibromide methanol solvate
• Formula: C27 H26 Br2 N2 O
• Calculated formula: C27 H26 Br2 N2 O
• SMILES: [Br-].[Br-].OC.[n+]1(cccc2c3ccc[n+](c3ccc12)Cc1ccccc1)Cc1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-Dibenzyl-4,7-phenanthrolinium dibromide methanol solvate
• Authors of publication: Marilyn M. Olmstead; Jeff T. Suri; Bakthan Singaram
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o275 - o277
• a: 21.134 ± 0.004 Å
• b: 7.639 ± 0.0015 Å
• c: 14.384 ± 0.003 Å
• α: 90°
• β: 98.625 ± 0.007°
• γ: 90°
• Cell volume: 2295.9 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0334
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes