Information card for entry 2214551

Structure parameters

• Chemical name: Di-μ-oxido-bis{[1,3-bis(tetramethylguanidino)propane- κ^2^<i>N</i>,<i>N</i>']bromidomanganese(III)}
• Formula: C26 H60 Br2 Mn2 N12 O2
• Calculated formula: C26 H60 Br2 Mn2 N12 O2
• SMILES: C(=[N]1CCC[N](=C(N(C)C)N(C)C)[Mn]231(O[Mn]13([N](=C(N(C)C)N(C)C)CCC[N]1=C(N(C)C)N(C)C)(O2)Br)Br)(N(C)C)N(C)C
• Title of publication: Di-μ-oxido-bis{[1,3-bis(tetramethylguanidino)propane-κ^2^<i>N</i>,<i>N</i>']bromidomanganese(III)}
• Authors of publication: Neuba, Adam; Seewald, Oliver; Flörke, Ulrich; Henkel, Gerald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2099 - m2100
• a: 19.592 ± 0.004 Å
• b: 9.2077 ± 0.0017 Å
• c: 19.767 ± 0.004 Å
• α: 90°
• β: 90.03 ± 0.01°
• γ: 90°
• Cell volume: 3565.9 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0458
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0977
• 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: No
• Has Fobs: Yes