Information card for entry 4303185

Structure parameters

• Formula: C35 H61 Mn N4 Na O
• Calculated formula: C35 H61 Mn N4 Na O
• SMILES: [Mn]1(N2C(C)(C)CCCC2(C)C)[N]2([Na]3([N](C)(C)CC[N]3(C)C)[O](c3c1cc1c(c3)cccc1)C)C(C)(C)CCCC2(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: 32.418 ± 0.007 Å
• b: 11.587 ± 0.003 Å
• c: 19.77 ± 0.004 Å
• α: 90°
• β: 99.003 ± 0.004°
• γ: 90°
• Cell volume: 7335 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No