Information card for entry 4303186

Structure parameters

• Formula: C54 H108 Mn2 N8 Na2
• Calculated formula: C54 H108 Mn2 N8 Na2
• SMILES: c1(ccc(cc1)[Mn](N1C(C)(C)CCCC1(C)C)[N]1([Na]2[N](C)(C)CC[N]2(C)C)C(C)(C)CCCC1(C)C)[Mn]([N]1(C(C)(C)CCCC1(C)C)[Na]1[N](C)(C)CC[N]1(C)C)N1C(C)(C)CCCC1(C)C
• Title of publication: Alkali-Metal-Mediated Manganation(II) of Naphthalenes: Constructing Metalla-Anthracene and Metalla-Phenanthrene Structures
• Authors of publication: Victoria L. Blair; William Clegg; Robert E. Mulvey; Luca Russo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8863 - 8870
• a: 8.333 ± 0.003 Å
• b: 22.027 ± 0.007 Å
• c: 16.32 ± 0.005 Å
• α: 90°
• β: 91.466 ± 0.005°
• γ: 90°
• Cell volume: 2994.6 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.518
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No