Information card for entry 4330438

Structure parameters

• Formula: C32 H62 Mn2 N2 O4 Si4
• Calculated formula: C32 H62 Mn2 N2 O4 Si4
• SMILES: N([Mn]1([O](c2ccccc2)[Mn](N([Si](C)(C)C)[Si](C)(C)C)([O]1c1ccccc1)[O]1CCCC1)[O]1CCCC1)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis, Structure, and Magnetic Studies of Manganese-Oxygen Clusters of Reduced Coordination Number, Featuring an Unchelated, 5-Coordinate Octanuclear Manganese Cluster with Water-Derived Oxo Ligands
• Authors of publication: Sandeep K. Kondaveeti; Shivaiah Vaddypally; Carol Lam; Daigorou Hirai; Ni Ni; Robert J. Cava; Michael J. Zdilla
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10095 - 10104
• a: 8.8769 ± 0.0007 Å
• b: 10.9042 ± 0.0008 Å
• c: 12.3175 ± 0.0009 Å
• α: 97.53 ± 0.002°
• β: 106.043 ± 0.001°
• γ: 107.005 ± 0.002°
• Cell volume: 1066.23 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No