Information card for entry 4507720

Structure parameters

• Formula: C30 H54 Mn8 Na4 O30
• Calculated formula: C30 H54.72 Mn8 Na4 O30
• SMILES: [Na+].C1(=[O][Mn]3OC(C)=[O][Mn]5OC(=[O][Mn]6OC(C)=[O][Mn](O1)OC(=[O][Mn]1OC(C)=[O][Mn](OC(C)=[O]3)OC(=[O][Mn](OC(C)=[O][Mn](OC(C)=[O]6)OC(=[O]1)C)[O]=C(C)O5)C)C)C)C.CO.[Na+].[Na+].[Na+].CO.CO.CO.CO.CO
• Title of publication: Mn8@Na8Cube-in-Cube SBBs-Based Heterometallic Coordination Network with Unprecedented (39.46)8Topological Mn8(μ4-OMe)6Cubes
• Authors of publication: Liu, Min-Min; Han, Cai-Yun; Qin, Ying-Lian; Zhang, Xian-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 1386
• a: 13.6066 ± 0.0002 Å
• b: 13.6066 ± 0.0002 Å
• c: 13.6066 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2519.12 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 229
• Hermann-Mauguin space group symbol: I m -3 m
• Hall space group symbol: -I 4 2 3
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.2164
• Weighted residual factors for all reflections included in the refinement: 0.2313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No