Information card for entry 2017748

Structure parameters

• Chemical name: Bis[μ~3~-1,8-bis(triisopropylsilylamido)naphthalene]bis(tetrahydrofuran)di- μ~3~-oxido-dimanganese(III)disodium
• Formula: C64 H112 Mn2 N4 Na2 O4 Si4
• Calculated formula: C64 H112 Mn2 N4 Na2 O4 Si4
• SMILES: c12cccc3cccc(N([Mn]45(N1[Si](C(C)C)(C(C)C)C(C)C)[O]([Na][O]1CCCC1)[Mn]15(N(c5cccc6cccc(N1[Si](C(C)C)(C(C)C)C(C)C)c56)[Si](C(C)C)(C(C)C)C(C)C)[O]4[Na][O]1CCCC1)[Si](C(C)C)(C(C)C)C(C)C)c23
• Title of publication: Bis[μ~3~-1,8-bis(triisopropylsilylamido)naphthalene]bis(tetrahydrofuran)di-μ~3~-oxido-dimanganese(III)disodium
• Authors of publication: Blake, Alexander J.; Harris, Naomi A.; Kays, Deborah L.; Lewis, William; Moxey, Graeme J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m204 - m206
• a: 25.209 ± 0.002 Å
• b: 17.6946 ± 0.0015 Å
• c: 15.5541 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6938.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes