Information card for entry 2216106

Structure parameters

• Chemical name: Diaquabis{2,4-dibromo-6-[2- (isopropylammonio)ethyliminomethyl]phenolato}nickel(II) dichloride hemihydrate
• Formula: C24 H37 Br4 Cl2 N4 Ni O4.5
• Calculated formula: C24 H37 Br4 Cl2 N4 Ni O4.5
• Title of publication: Diaquabis{2,4-dibromo-6-[2-(isopropylammonio)ethyliminomethyl]phenolato}nickel(II) dichloride hemihydrate
• Authors of publication: Chun-Bao Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2785 - m2786
• a: 12.685 ± 0.003 Å
• b: 7.045 ± 0.0014 Å
• c: 17.501 ± 0.004 Å
• α: 90°
• β: 106.57 ± 0.03°
• γ: 90°
• Cell volume: 1499 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0981
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes