Information card for entry 7036863

Structure parameters

• Formula: C56 H54 Mg N4 O2
• Calculated formula: C56 H54 Mg N4 O2
• SMILES: c1ccc(n1[Mg]12([O]3CCCC3)([O]3CCCC3)n3cccc3C=[N]1C(c1ccccc1)(c1ccccc1)c1ccccc1)C=[N]2C(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.9208 ± 0.0012 Å
• b: 9.9609 ± 0.0015 Å
• c: 12.4778 ± 0.0012 Å
• α: 108.752 ± 0.011°
• β: 92.798 ± 0.009°
• γ: 106.729 ± 0.012°
• Cell volume: 1104.5 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No