Information card for entry 2203060

Structure parameters

• Formula: C12 H26 N4 Ni O7
• Calculated formula: C12 H26 N4 Ni O7
• SMILES: C1[NH2][Ni]2([NH2]CC[NH2]2)([OH2])([NH2]C1)[OH2].c1c(ccc(c1)C(=O)[O-])C(=O)[O-].O
• Title of publication: <i>cis</i>-Diaquabis(ethylenediamine)nickel(II) benzene-1,4-dicarboxylate monohydrate
• Authors of publication: Shiu, Kom-Bei; Yen, Chia-Hung; Liao, Fen-Ling; Wang, Sue-Lein
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m121 - m122
• a: 12.489 ± 0.001 Å
• b: 20.4936 ± 0.0016 Å
• c: 8.4365 ± 0.0006 Å
• α: 90°
• β: 122.191 ± 0.001°
• γ: 90°
• Cell volume: 1827.3 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes