Information card for entry 2210814

Structure parameters

• Chemical name: Di-μ-bromo-bis{aqua[(5-bromo-1H-imidazol-4-ylmethylene)(2-pyridylmethyl)amine- κ^3^N,N',N'']nickel(II)} dibromide
• Formula: C20 H22 Br6 N8 Ni2 O2
• Calculated formula: C20 H22 Br6 N8 Ni2 O2
• SMILES: c12C[N]3=Cc4c(Br)[nH]c[n]4[Ni]43([OH2])([n]2cccc1)[Br][Ni]12([n]3ccccc3C[N]1=Cc1c([nH]c[n]21)Br)([OH2])[Br]4.[Br-].[Br-]
• Title of publication: Di-μ-bromo-bis{aqua[(5-bromo-1<i>H</i>-imidazol-4-ylmethylene)(2-pyridylmethyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']nickel(II)} dibromide
• Authors of publication: Hsiao-Ting Wang; Yong-Yi Song; Michael Y. Chiang; Wen-Feng Zeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2464 - m2466
• a: 8.4833 ± 0.0017 Å
• b: 9.4187 ± 0.0019 Å
• c: 10.748 ± 0.002 Å
• α: 90.16 ± 0.03°
• β: 107.77 ± 0.03°
• γ: 111.4 ± 0.03°
• Cell volume: 755.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1293
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes