Information card for entry 2230686

Structure parameters

• Chemical name: Di-μ-oxido-bis[(1,4,8,11-tetraazacyclotetradecane- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')dimanganese(III,IV)] bis(tetraphenylborate) chloride acetonitrile disolvate
• Formula: C72 H94 B2 Cl Mn2 N10 O2
• Calculated formula: C72 H94 B2 Cl Mn2 N10 O2
• Title of publication: Di-μ-oxido-bis[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')dimanganese(III,IV)] bis(tetraphenylborate) chloride acetonitrile disolvate
• Authors of publication: Olmstead, Marilyn M.; Boyce, David W.; Bria, Lauren E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m824 - m825
• a: 11.437 ± 0.002 Å
• b: 11.713 ± 0.002 Å
• c: 13.967 ± 0.003 Å
• α: 104.136 ± 0.003°
• β: 97.697 ± 0.003°
• γ: 107.627 ± 0.003°
• Cell volume: 1684.9 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes