Information card for entry 4339710

Structure parameters

• Formula: C20 H42 Mn6 N15 Na2 O17
• Calculated formula: C20 H36 Mn6 N15 Na2 O17
• SMILES: [O]123[Mn]456(N=N#N)[O]7CC8(C)C[O]9[Mn]%1117(N=N#N)[O]1CC%12(C[O]%13[Mn]%14([O]%15CC(C)(C[O]5[Mn]5%15[O]%15CC%16(C)C[O]5[Mn]21%13(N=N#N)[O](C%16)[Mn]39%15(N=N#N)[O]4C8)C[O]6%14)([O]%11C%12)N=N#N)C.O.[Na+].[Na+].O.O.O
• Title of publication: Synthesis of a Mn6 cluster and its self-assembly of an azido-bridged polymer.
• Authors of publication: Mondal, Kartik Chandra; Drew, Mike G. B.; Mukherjee, Partha Sarathi
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 5625 - 5629
• a: 11.178 ± 0.011 Å
• b: 20.786 ± 0.012 Å
• c: 12.23 ± 0.02 Å
• α: 90°
• β: 115.784 ± 0.016°
• γ: 90°
• Cell volume: 2559 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1963
• Residual factor for significantly intense reflections: 0.1143
• Weighted residual factors for significantly intense reflections: 0.2918
• Weighted residual factors for all reflections included in the refinement: 0.3479
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No