Information card for entry 4101373

Structure parameters

• Formula: C68 H104 Al2 Mg N4 O4
• Calculated formula: C68 H104 Al2 Mg N4 O4
• Title of publication: Soluble molecular compounds with the Mg-O-Al structural motif: a model approach for the fixation of organometallics on a MgO surface.
• Authors of publication: Nembenna, Sharanappa; Roesky, Herbert W; Mandal, Swadhin K; Oswald, Rainer B; Pal, Aritra; Herbst-Irmer, Regine; Noltemeyer, Mathias; Schmidt, Hans-Georg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 40
• Pages of publication: 13056 - 13057
• a: 16.067 ± 0.002 Å
• b: 23.113 ± 0.002 Å
• c: 18.001 ± 0.002 Å
• α: 90°
• β: 102.06 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 6537.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No