Information card for entry 4338821

Structure parameters

• Formula: C11 H28 N2 Ni2 O16
• Calculated formula: C11 H28 N2 Ni2 O16
• SMILES: C1CC[N]23[Ni]45([N]1(CC(=O)O5)CC(=O)O4)(OC(=O)C2)OC(=O)C3.[OH2][Ni]([OH2])([OH2])([OH2])([OH2])[OH2].O.O
• Title of publication: Secrets of Solid State and Aqueous Solution Structures of [Ni(tmdta)](2-).
• Authors of publication: Meier, Roland; Platas-Iglesias, Carlos; Heinemann, Frank W.; Linti, Gerald; Schulte, Jürgen; Srivastava, Sunil K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6684 - 6697
• a: 13.213 ± 0.003 Å
• b: 11.612 ± 0.002 Å
• c: 13.676 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2098.3 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No