Information card for entry 2019874

Structure parameters

• Common name: <i>catena</i>-Poly[[[triaquamagnesium(II)]-μ-5,5'-(azanediyl)ditetrazolato-κ^3^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^5^] hemi{bis[μ-5,5'-(azanediyl)ditetrazolato-κ^3^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^2^]bis[triaquamagnesium(II)]} monohydrate]
• Formula: C4 H16 Mg2 N18 O7
• Calculated formula: C4 H16 Mg2 N18 O7
• SMILES: O.[Mg]12([OH2])([OH2])([OH2])n3c(Nc4n1nnn4)nn[n]3[Mg]1([OH2])([OH2])([OH2])n3c(Nc4nnnn14)nn[n]23.O.[Mg]1([OH2])([OH2])([OH2])n2c(Nc3n1nnn3)nn[n]2[Mg]1([OH2])([OH2])([OH2])n2c(Nc3nnnn13)nnn2
• Title of publication: Syntheses and crystal structures of two magnesium‒tetrazole compounds in salt and polymeric forms
• Authors of publication: Bensegueni, Mohamed Abdellatif; Cherouana, Aouatef; Dahaoui, Slimane
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• a: 10.193 ± 0.003 Å
• b: 23.924 ± 0.002 Å
• c: 7.284 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1776.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes