Information card for entry 7016625

Structure parameters

• Formula: C23 H21 B2 Cd F8 N7 O3
• Calculated formula: C23 H21 B2 Cd F8 N7 O3
• SMILES: [Cd]1234([n]5ccccc5c5[n]1n(cc5)Cc1ccc(Cn5[n]3c(c3[n]2cccc3)cc5)[o]41)[F][B](F)(F)F.[B](F)(F)(F)[F-].CN(=O)=O
• Title of publication: Molecular squares, cubes and chains from self-assembly of bis-bidentate bridging ligands with transition metal dications.
• Authors of publication: Stephenson, Andrew; Ward, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10360 - 10369
• a: 7.1886 ± 0.0005 Å
• b: 13.5594 ± 0.001 Å
• c: 15.0061 ± 0.0011 Å
• α: 104.558 ± 0.003°
• β: 101.438 ± 0.003°
• γ: 102.818 ± 0.003°
• Cell volume: 1329.49 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No