Information card for entry 7027339

Structure parameters

• Formula: C36 H88 Cr2 N16 Ni3 O32
• Calculated formula: C36 H76 Cr2 N16 Ni3 O32.012
• Title of publication: Nickel complexes with tris(2-aminoethyl)amine (tren): [Ni3(tren)4(H2O)2][Cr(ox)3]2·6H2O (ox = oxalate), {[Ni2(tren)3][ClO4]4·H2O}n, and [Ni2(tren)2(aepd)][ClO4]4·2H2O (aepd = N-(2-aminoethyl)pyrrolidine-3,4-diamine). Synthesis, structure and magnetism †
• Authors of publication: Masters, Vanessa M.; Bernhardt, Paul V.; Gahan, Lawrence R.; Moubaraki, Boujemaa; Murray, Keith S.; Berry, Kevin J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 14
• Pages of publication: 2323
• a: 9.043 ± 0.001 Å
• b: 24.151 ± 0.003 Å
• c: 15.318 ± 0.002 Å
• α: 90°
• β: 96.619 ± 0.007°
• γ: 90°
• Cell volume: 3323.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2008
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections: 0.2746
• Weighted residual factors for significantly intense reflections: 0.2013
• Goodness-of-fit parameter for all reflections: 1.005
• Goodness-of-fit parameter for significantly intense reflections: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No