Information card for entry 7113116

Structure parameters

• Formula: C16 H47 Mn N2 Na Si5
• Calculated formula: C16 H47 Mn N2 Na Si5
• SMILES: [Mn]1([N]([Na][N]1([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(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: 10.2226 ± 0.0003 Å
• b: 11.9296 ± 0.0003 Å
• c: 12.0857 ± 0.0003 Å
• α: 97.18 ± 0.001°
• β: 100.7 ± 0.001°
• γ: 93.377 ± 0.001°
• Cell volume: 1431.78 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102830
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No