Information card for entry 7226316

Structure parameters

• Formula: C52 H50 Li N3 O2
• Calculated formula: C52 H50 Li N3 O2
• SMILES: [Li]1(n2c(ccc2/C=N/C(c2ccccc2)(c2ccccc2)c2ccccc2)C=[N]1C(c1ccccc1)(c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Alkali Metal Complexes Having Sterically Bulky Bis-Iminopyrrolyl Ligands ‒ Control of Dimeric to Monomeric Complex
• Authors of publication: Panda, Tarun Kanti Kanti; Anga, Srinivas; Banerjee, Indrani; Nayek, Hari Pada
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.08 ± 0.0008 Å
• b: 12.8271 ± 0.001 Å
• c: 18.6899 ± 0.0014 Å
• α: 92.384 ± 0.006°
• β: 95.649 ± 0.007°
• γ: 106.228 ± 0.007°
• Cell volume: 2074.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No