Information card for entry 7016582

Structure parameters

• Formula: C80 H96 Cs2 Mn10 N18 O42
• Calculated formula: C80 H90 Cs2 Mn10 N18 O42
• Title of publication: Approaching polymetallic 'Assemblies of Assemblies' using ligands with multiple functionality - novel Mn(10)M(2) (M = alkali metal) chains with 'ionophoric' end cavities.
• Authors of publication: Anwar, Muhammad Usman; Dawe, Louise Nicole; Thompson, Laurence Kenneth
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 32
• Pages of publication: 8079 - 8082
• a: 21.111 ± 0.012 Å
• b: 17.0489 ± 0.001 Å
• c: 17.781 ± 0.001 Å
• α: 90°
• β: 92.586 ± 0.007°
• γ: 90°
• Cell volume: 6393 ± 4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.2794
• Weighted residual factors for all reflections included in the refinement: 0.2867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No