Information card for entry 7024193

Structure parameters

• Formula: C213 H296 B2 Mn6 N12 O27
• Calculated formula: C212.474 H272 B2 Mn6 N12 O27
• Title of publication: A Mn(III) triplesalen-based 1D pearl necklace: exchange interactions and zero-field splittings in a C3-symmetric Mn(III)6 complex.
• Authors of publication: Glaser, Thorsten; Heidemeier, Maik; Theil, Hubert; Stammler, Anja; Bögge, Hartmut; Schnack, Jürgen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 192 - 199
• a: 35.5493 ± 0.0017 Å
• b: 22.4228 ± 0.001 Å
• c: 30.9094 ± 0.0014 Å
• α: 90°
• β: 122.034 ± 0.001°
• γ: 90°
• Cell volume: 20886.7 ± 1.7 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.108
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No