Information card for entry 4075143

Structure parameters

• Formula: C53 H54 Al2 Ca N6
• Calculated formula: C53 H54 Al2 Ca N6
• Title of publication: Syntheses and Structure of Heterometallic Complexes Containing Tripodal Group 13 Ligands [RE(2-py)3]-(E = Al, In)†
• Authors of publication: García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Rogers, Michael C.; Silvia, Jared S.; Wright, Dominic S.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2561
• a: 9.493 ± 0.0019 Å
• b: 22.857 ± 0.005 Å
• c: 22.727 ± 0.005 Å
• α: 90°
• β: 94.8 ± 0.03°
• γ: 90°
• Cell volume: 4914 ± 1.8 ų
• Cell temperature: 393 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No