Information card for entry 7016623

Structure parameters

• Formula: C140 H120 B8 F32 N40 Ni4 S6
• Calculated formula: C139 H118.5 B4.5 F18 N39.5 Ni4 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: 43.1698 ± 0.0008 Å
• b: 18.8181 ± 0.0004 Å
• c: 20.4261 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16593.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.1723
• Residual factor for significantly intense reflections: 0.1381
• Weighted residual factors for significantly intense reflections: 0.3704
• Weighted residual factors for all reflections included in the refinement: 0.3966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.433
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No