Information card for entry 4327552

Structure parameters

• Formula: C61 H72 Mn2 N15 Ni2 O19
• Calculated formula: C61 H72 Mn2 N15 Ni2 O19
• Title of publication: Preparation of Site-Differentiated Mixed Ligand and Mixed Ligand/Mixed Metal Metallacrowns
• Authors of publication: George Psomas; Ann J. Stemmler; Catherine Dendrinou-Samara; Jeffrey J. Bodwin; Manuela Schneider; Maria Alexiou; Jeff W. Kampf; Dimitris P. Kessissoglou; Vincent L. Pecoraro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1562 - 1570
• a: 28.322 ± 0.005 Å
• b: 9.765 ± 0.001 Å
• c: 25.021 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6919.9 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections: 0.1323
• Weighted residual factors for significantly intense reflections: 0.115
• Goodness-of-fit parameter for all reflections: 0.974
• Goodness-of-fit parameter for significantly intense reflections: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No