Information card for entry 7042343

Structure parameters

• Formula: C11 H26 N3 Ni O4.5
• Calculated formula: C11 H26 N3 Ni O4.5
• SMILES: C1=[O][Ni]23([N](C)(C)CC[N]2(C)CC[N]3(C)C)(O1)OC=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: 30.8174 ± 0.0007 Å
• b: 8.5618 ± 0.0004 Å
• c: 13.1881 ± 0.0006 Å
• α: 90°
• β: 119.006 ± 0.003°
• γ: 90°
• Cell volume: 3043.2 ± 0.2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No