Information card for entry 2007139

Structure parameters

• Formula: C68 H104 Cl6 Mn N4
• Calculated formula: C68 H104 Cl6 Mn N4
• SMILES: [NH+]1(CCCCC1)C1(CCCCC1)c1ccccc1.[Mn](Cl)(Cl)([Cl-])[Cl-].[Cl-].[NH+]1(CCCCC1)C1(CCCCC1)c1ccccc1.[NH+]1(CCCCC1)C1(CCCCC1)c1ccccc1.[NH+]1(CCCCC1)C1(CCCCC1)c1ccccc1.[Cl-]
• Title of publication: Tetrakis[1-(1-phenylcyclohexyl)piperidinium] Tetrachloromanganate(II) Dichloride
• Authors of publication: Chang, Ning-Leh; Lynch, Vincent M.; Simonsen, Stanley H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 475 - 476
• a: 15.747 ± 0.001 Å
• b: 15.747 ± 0.001 Å
• c: 13.148 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3260.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.0842
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No