Information card for entry 4307443

Structure parameters

• Formula: C34 H50 Er N5 Ni2 O23
• Calculated formula: C34 H50 Er N5 Ni2 O23
• SMILES: [Er]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)[OH2])C)([OH]C)[OH]C)(ON(=[O]4)=O)ON(=[O]5)=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: 10.8507 ± 0.0006 Å
• b: 14.87 ± 0.0006 Å
• c: 16.502 ± 0.0008 Å
• α: 109.139 ± 0.002°
• β: 100.197 ± 0.002°
• γ: 110.294 ± 0.002°
• Cell volume: 2228.7 ± 0.2 ų
• Cell temperature: 183.2 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: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No