Information card for entry 2216392

Structure parameters

• Chemical name: catena-Poly[[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')sodium(I)]- μ-aqua-[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')sodium(I)]-μ-aqua] dibromide 1,10-phenanthroline solvate]
• Formula: C36 H34 Br2 N6 Na2 O5
• Calculated formula: C36 H34 Br2 N6 Na2 O5
• SMILES: [Na+].[Na+].[Br-].[Br-].n1cccc2c1c1ncccc1cc2.n1cccc2c1c1ncccc1cc2.n1cccc2c1c1ncccc1cc2.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')sodium(I)]-μ-aqua-[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')sodium(I)]-μ-aqua] dibromide 1,10-phenanthroline solvate]
• Authors of publication: Jun Zhai; Handong Yin; Daqi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3006 - m3006
• a: 12.833 ± 0.005 Å
• b: 11.445 ± 0.005 Å
• c: 24.888 ± 0.01 Å
• α: 90°
• β: 93.696 ± 0.006°
• γ: 90°
• Cell volume: 3648 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1365
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes