Information card for entry 4307444

Structure parameters

• Formula: C34 H50 N5 Ni2 O23 Tm
• Calculated formula: C34 H50 N5 Ni2 O23 Tm
• SMILES: [Tm]1234567([O]8[Ni]9%10([O]=C(C=C8c8[n]6c(ccc8)C6[O]1[Ni]1([O]=C(C=6)C)([O]=C(C=C([O]21)c1[n]7c(ccc1)C([O]39)=CC(=[O]%10)C)C)([OH]C)[OH]C)C)([OH2])[OH]C)(ON(=[O]4)=O)[O]=N(O5)=O.O=N(=O)[O-].OC.O(CC)CC
• Title of publication: Series of Trinuclear NiIILnIIINiII Complexes Derived from 2,6-Di(acetoacetyl)pyridine: Synthesis, Structure, and Magnetism
• Authors of publication: Takuya Shiga; Nobuhiro Ito; Akiko Hidaka; Hisashi Ōkawa; Susumu Kitagawa; Masaaki Ohba
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3492 - 3501
• a: 10.8582 ± 0.0001 Å
• b: 14.8577 Å
• c: 16.5084 ± 0.0002 Å
• α: 109.178 ± 0.0007°
• β: 100.118 ± 0.0007°
• γ: 110.285 ± 0.0008°
• Cell volume: 2229.86 ± 0.04 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No