Information card for entry 2241483

Structure parameters

• Chemical name: Dibromidotetrakis(propan-2-ol-κ<i>O</i>)nickel(II)
• Formula: C12 H32 Br2 Ni O4
• Calculated formula: C12 H32 Br2 Ni O4
• SMILES: Br[Ni]([OH]C(C)C)([OH]C(C)C)([OH]C(C)C)([OH]C(C)C)Br
• Title of publication: Crystal structure of dibromidotetrakis(propan-2-ol-κ<i>O</i>)nickel(II)
• Authors of publication: Lv, Yaokang; Liu, Mingxian; Ji, Lvlv; Zhang, Cheng; Ouyang, Mi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: m263 - m264
• a: 5.8341 ± 0.0007 Å
• b: 10.4902 ± 0.0015 Å
• c: 16.613 ± 0.002 Å
• α: 90°
• β: 97.074 ± 0.004°
• γ: 90°
• Cell volume: 1009 ± 0.2 ų
• Cell temperature: 199 ± 2 K
• Ambient diffraction temperature: 199 ± 2 K
• Number of distinct elements: 5
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes