Information card for entry 2212510

Structure parameters

• Chemical name: Bis{4-bromo-2-[3-(dimethylamino)propyliminomethyl]phenolato}nickel(II)
• Formula: C24 H32 Br2 N4 Ni O2
• Calculated formula: C24 H32 Br2 N4 Ni O2
• SMILES: [Ni]1234([N](=Cc5c(ccc(c5)Br)O3)CCC[N]1(C)C)[N](=Cc1c(ccc(c1)Br)O4)CCC[N]2(C)C
• Title of publication: Bis{4-bromo-2-[3-(dimethylamino)propyliminomethyl]phenolato}nickel(II)
• Authors of publication: Li-Zhong Li; Li-Hua Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m749 - m750
• a: 10.111 ± 0.002 Å
• b: 14.812 ± 0.002 Å
• c: 17.56 ± 0.003 Å
• α: 90°
• β: 99.029 ± 0.002°
• γ: 90°
• Cell volume: 2597.3 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0872
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes