Information card for entry 2013705

Structure parameters

• Chemical name: catena-poly[[[tetraaquamagnesium(I)]-μ-4,4'-bipyridine-κ^2^N:N'] diiodide bis(4,4'-bipyridine) solvate]
• Formula: C30 H32 I2 Mg N6 O4
• Calculated formula: C30 H32 I2 Mg N6 O4
• SMILES: [I-].[I-].[I-].[I-].[Mg]([OH2])([OH2])([OH2])([OH2])[n]1ccc(cc1)c1cc[n](cc1)[Mg]([OH2])([OH2])([OH2])([OH2])[n]1ccc(cc1)c1ccn(cc1).c1cc(ccn1)c1ccncc1.c1cc(ccn1)c1ccncc1.c1cc(ccn1)c1ccncc1.c1cc(ccn1)c1ccncc1
• Title of publication: Magnesium iodide‒4,4'-bipyridine‒water (1/3/4) and strontium iodide‒4,4'-bipyridine‒propan-1-ol (1/2.5/2)
• Authors of publication: Skelton, Brian W.; Waters, A. Fiona; Whitaker, Claire R.; White, Allan H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m435 - m438
• a: 27.574 ± 0.007 Å
• b: 9.018 ± 0.004 Å
• c: 16.974 ± 0.003 Å
• α: 90°
• β: 125.23 ± 0.02°
• γ: 90°
• Cell volume: 3448 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections: 1.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes