Information card for entry 7051207

Structure parameters

• Formula: C10 H28 F6 N5 Ni O2 P
• Calculated formula: C10 H28 F6 N5 Ni O2 P
• SMILES: [Ni]123(ON=[O]1)([N](CC[NH]2C)(C)C)[NH](CC[N]3(C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis of N3−/SCN− bridged polynuclear complexes of nickel(II) using N,N,N'-trimethylethane-1,2-diamine as a blocking ligand: low temperature magnetic study and single crystal structure of [Ni(μ1,1-N3)(μ1,3-N3)(N,N,N'-Me3en)]n
• Authors of publication: Montserrat Monfort; Inmaculada Resino; Joan Ribas; Xavier Solans; Mercé Font-Bardia
• Journal of publication: New J. Chem.
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 12
• Pages of publication: 1577 - 1582
• a: 12.698 ± 0.002 Å
• b: 10.1097 ± 0.0014 Å
• c: 15.698 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2015.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections: 0.1184
• Weighted residual factors for significantly intense reflections: 0.0945
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.078
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No