Information card for entry 7042341

Structure parameters

• Formula: C10 H28 N6 Ni O4
• Calculated formula: C10 H28 N6 Ni O4
• SMILES: C1C[NH]2CC[NH2][Ni]342([NH2]1)[NH2]CC[NH]3CC[NH2]4.C(=O)[O-].C(=O)[O-]
• Title of publication: Ni(II) formate complexes with bi- and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal properties.
• Authors of publication: Rühlig, Karoline; Abylaikhan, Akerke; Aliabadi, Azar; Kataev, Vladislav; Liebing, Simon; Schwalbe, Sebastian; Trepte, Kai; Ludt, Christian; Kortus, Jens; Büchner, Bernd; Rüffer, Tobias; Lang, Heinrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 12
• Pages of publication: 3963 - 3979
• a: 13.2477 ± 0.0005 Å
• b: 8.7413 ± 0.0003 Å
• c: 13.7152 ± 0.0005 Å
• α: 90°
• β: 92.087 ± 0.003°
• γ: 90°
• Cell volume: 1587.2 ± 0.1 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No