Information card for entry 4308299

Structure parameters

• Formula: C44 H60 Ba N2 O5
• Calculated formula: C44 H60 Ba N2 O5
• SMILES: [Ba](N(c1ccccc1)c1ccccc1)(N(c1ccccc1)c1ccccc1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• Title of publication: Syntheses and Structures of Alkaline Earth Metal Bis(diphenylamides)
• Authors of publication: Martin Gärtner; Reinald Fischer; Jens Langer; Helmar Görls; Dirk Walther; Matthias Westerhausen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5118 - 5124
• a: 19.5613 ± 0.0011 Å
• b: 11.9298 ± 0.0004 Å
• c: 9.1896 ± 0.0005 Å
• α: 90°
• β: 93.622 ± 0.002°
• γ: 90°
• Cell volume: 2140.22 ± 0.18 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No