Information card for entry 4349340

Structure parameters

• Formula: C82 H92 Mg2 N10 O
• Calculated formula: C82 H92 Mg2 N10 O
• Title of publication: Induction and Rationalization of Supramolecular Chirality in the Tweezer-Diamine Complexes: Insights from Experimental and DFT Studies.
• Authors of publication: Dhamija, Avinash; Ikbal, Sk Asif; Rath, Sankar Prasad
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 24
• Pages of publication: 13014 - 13026
• a: 13.5777 ± 0.0009 Å
• b: 14.3089 ± 0.001 Å
• c: 22.2385 ± 0.0015 Å
• α: 84.186 ± 0.002°
• β: 72.658 ± 0.001°
• γ: 63.291 ± 0.001°
• Cell volume: 3681.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.122
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No