Information card for entry 7016622

Structure parameters

• Formula: C136 H120 B8 Co4 F32 N40 O8 S6
• Calculated formula: C136 H120 B6 Co4 F24 N40 O8 S6
• 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: 25.7813 ± 0.0007 Å
• b: 18.2941 ± 0.0007 Å
• c: 39.8811 ± 0.0013 Å
• α: 90°
• β: 90.621 ± 0.003°
• γ: 90°
• Cell volume: 18808.6 ± 1.1 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: 0.1374
• Residual factor for significantly intense reflections: 0.1091
• Weighted residual factors for significantly intense reflections: 0.3171
• Weighted residual factors for all reflections included in the refinement: 0.3369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No