Information card for entry 7113117

Structure parameters

• Formula: C24 H72 Mn2 N4 Na2 O Si8
• Calculated formula: C24 H72 Mn2 N4 Na2 O Si8
• SMILES: [Mn]12[O]34[Na]([N]1([Si](C)(C)C)[Si](C)(C)C)[N]([Mn]3[N]([Na]4[N]2([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Manganese(II)‒lithium and ‒sodium inverse crown ether (ICE) complexes
• Authors of publication: Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; Newton, Sean; Wright, Dominic S.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 3
• Pages of publication: 308 - 310
• a: 8.8889 ± 0.0002 Å
• b: 10.8003 ± 0.0003 Å
• c: 12.7193 ± 0.0004 Å
• α: 95.656 ± 0.001°
• β: 108.382 ± 0.001°
• γ: 98.832 ± 0.001°
• Cell volume: 1130.89 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102831
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No