Information card for entry 7226312

Structure parameters

• Formula: C40 H42 K N3 O2
• Calculated formula: C40 H42 K N3 O2
• SMILES: c1(ccc(n1[K]12([O]3CCCC3)[O]3CCCC3)C=[N]1C(c1ccccc1)c1ccccc1)C=[N]2C(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: 13.68 ± 0.0005 Å
• b: 16.187 ± 0.0003 Å
• c: 16.4227 ± 0.0006 Å
• α: 90°
• β: 108.696 ± 0.004°
• γ: 90°
• Cell volume: 3444.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0436
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No