Information card for entry 7011793

Structure parameters

• Chemical name: bis(dimethylpropylene-urea)dibromonickel(II)
• Formula: C12 H24 Br2 N4 Ni O2
• Calculated formula: C12 H24 Br2 N4 Ni O2
• SMILES: [Ni](Br)(Br)([O]=C1N(CCCN1C)C)[O]=C1N(CCCN1C)C
• Title of publication: Reactivity of five- and six-coordinated solvates. A complex formation and crystallographic study of the nickel(II) bromide and iodide systems in dimethyl sulfoxide and N,N'-dimethylpropyleneurea
• Authors of publication: Bobicz, Dorota; Kristiansson, Olof; Persson, Ingmar
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4201 - 4205
• a: 8.021 ± 0.004 Å
• b: 8.554 ± 0.005 Å
• c: 26.606 ± 0.014 Å
• α: 90°
• β: 93.968 ± 0.009°
• γ: 90°
• Cell volume: 1821.1 ± 1.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No