Information card for entry 7036860

Structure parameters

• Formula: C56 H54 N4 Na2 O2
• Calculated formula: C56 H54 N4 Na2 O2
• SMILES: c1(cccn12)C=[N](C(c1ccccc1)(c1ccccc1)c1ccccc1)[Na]2[O]1CCCC1
• Title of publication: Group 1 and group 2 metal complexes supported by a bidentate bulky iminopyrrolyl ligand: synthesis, structural diversity, and ε-caprolactone polymerization study.
• Authors of publication: Kottalanka, Ravi K.; Harinath, A.; Rej, Supriya; Panda, Tarun K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 19865 - 19879
• a: 9.3375 ± 0.0005 Å
• b: 17.8616 ± 0.0009 Å
• c: 15.0867 ± 0.001 Å
• α: 90°
• β: 111.528 ± 0.005°
• γ: 90°
• Cell volume: 2340.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No