Information card for entry 2202638

Structure parameters

• Formula: C58 H70 B2 N6 Ni2 O6
• Calculated formula: C58 H70 B2 N6 Ni2 O6
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C1C[NH]2CC[NH2][Ni]32([NH2]1)([O]=C1C(=[O][Ni]24([NH2]CC[NH]2CC[NH2]4)(O1)[OH2])O3)[OH2].[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:O^1'^,<i>O</i>^2'^-bis[aqua(diethylenetriamine-κ^3^<i>N</i>)nickel(II)] bis(tetraphenylborate)
• Authors of publication: Callejo, Lorena M.; Muga, Iñaki; Vitoria, Pablo; Reinoso, Santiago; Román, Pascual; Gutiérrez-Zorrilla, Juan M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m684 - m686
• a: 10.85 ± 0.001 Å
• b: 19.576 ± 0.003 Å
• c: 13.02 ± 0.002 Å
• α: 90°
• β: 98.52 ± 0.01°
• γ: 90°
• Cell volume: 2734.9 ± 0.6 ų
• Cell 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: 0.103
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes