Information card for entry 7016626

Structure parameters

• Formula: C69 H63 B4 Cd2 F16 N21 O6 S3
• Calculated formula: C69 H63 B4 Cd2 F16 N21 O6 S3
• 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: 35.6228 ± 0.0008 Å
• b: 11.1598 ± 0.0002 Å
• c: 22.6321 ± 0.0007 Å
• α: 90°
• β: 108.367 ± 0.002°
• γ: 90°
• Cell volume: 8538.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1547
• Residual factor for significantly intense reflections: 0.1249
• Weighted residual factors for significantly intense reflections: 0.3818
• Weighted residual factors for all reflections included in the refinement: 0.4167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.767
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No