Information card for entry 7226317

Structure parameters

• Formula: C56 H58 N3 Na O3
• Calculated formula: C56 H58 N3 Na O3
• SMILES: [Na]1([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)[n]2c(ccc2C=[N]1C(c1ccccc1)(c1ccccc1)c1ccccc1)/C=N/C(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 8.8522 ± 0.0003 Å
• b: 9.4272 ± 0.0003 Å
• c: 29.1528 ± 0.0008 Å
• α: 81.636 ± 0.003°
• β: 88.161 ± 0.002°
• γ: 74.457 ± 0.003°
• Cell volume: 2318.88 ± 0.13 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: 0.0507
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No