Information card for entry 7001307

Structure parameters

• Formula: C168 H136 B10 F42 N48 Ni6
• Calculated formula: C168 H136 B9 F38 N48 Ni6
• Title of publication: Homonuclear and heteronuclear complexes of a four-armed octadentate ligand: synthetic control based on matching ligand denticity with metal ion coordination preferences
• Authors of publication: Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 21
• Pages of publication: 4199 - 4207
• a: 29.9778 ± 0.0007 Å
• b: 50.1664 ± 0.0012 Å
• c: 26.2454 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 39469.9 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1364
• Residual factor for significantly intense reflections: 0.1151
• Weighted residual factors for significantly intense reflections: 0.3365
• Weighted residual factors for all reflections included in the refinement: 0.3509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.44
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No