Information card for entry 2216783

Structure parameters

• Chemical name: Bis(2,2'-bipyridine)[5,5'-iminobis(tetrazolato)]nickel(II) hexahydrate
• Formula: C22 H29 N13 Ni O6
• Calculated formula: C22 H29 N13 Ni O6
• SMILES: [Ni]123(n4c(nnn4)Nc4n1nnn4)([n]1c(c4[n]2cccc4)cccc1)[n]1ccccc1c1[n]3cccc1.O.O.O.O.O.O
• Title of publication: Bis(2,2'-bipyridine)[5,5'-iminobis(tetrazolato)]nickel(II) hexahydrate
• Authors of publication: Liu, Xing-Ping; Zhang, Chi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3063 - m3064
• a: 13.3435 ± 0.0003 Å
• b: 13.3741 ± 0.0003 Å
• c: 15.9408 ± 0.0003 Å
• α: 90°
• β: 96.166 ± 0.001°
• γ: 90°
• Cell volume: 2828.29 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes