Information card for entry 7001310

Structure parameters

• Formula: C94 H108 B6 Cd4 F26 N24 O10
• Calculated formula: C94 H98 B6 Cd4 F26 N24 O10
• 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: 13.8873 ± 0.0011 Å
• b: 27.175 ± 0.002 Å
• c: 14.4995 ± 0.0011 Å
• α: 90°
• β: 99.468 ± 0.004°
• γ: 90°
• Cell volume: 5397.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0985
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.406
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No