Information card for entry 2225697

Structure parameters

• Chemical name: Diacetatobis(propane-1,3-diamine)nickel(II) dihydrate
• Formula: C10 H30 N4 Ni O6
• Calculated formula: C10 H30 N4 Ni O6
• SMILES: C1[NH2][Ni]2([NH2]CCC[NH2]2)([NH2]CC1)(OC(=O)C)OC(=O)C.O.O
• Title of publication: Diacetatobis(propane-1,3-diamine)nickel(II) dihydrate
• Authors of publication: Khan, Islam Ullah; Ejaz; Şahin, Onur; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m436 - m437
• a: 6.6268 ± 0.0003 Å
• b: 7.8164 ± 0.0003 Å
• c: 8.9123 ± 0.0004 Å
• α: 73.933 ± 0.002°
• β: 80.797 ± 0.003°
• γ: 75.323 ± 0.002°
• Cell volume: 427.12 ± 0.03 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes