Information card for entry 4303184

Structure parameters

• Formula: C30 H54 Mn N3 Na O Si
• Calculated formula: C30 H54 Mn N3 Na O Si
• SMILES: [Mn]1([N]2([Na]3([N](C)(C)CC[N]3(C)C)[O](c3c1ccc1c3cccc1)C)C(C)(C)CCCC2(C)C)C[Si](C)(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: 9.736 ± 0.003 Å
• b: 11.466 ± 0.003 Å
• c: 15.81 ± 0.004 Å
• α: 78.302 ± 0.004°
• β: 79.619 ± 0.004°
• γ: 84.163 ± 0.004°
• Cell volume: 1696.1 ± 0.8 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: 0.05
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No