Information card for entry 7036862

Structure parameters

• Formula: C39 H42 Mg N2 O2
• Calculated formula: C39 H42 Mg N2 O2
• SMILES: [Mg]1([O]2CCCC2)([O]2CCCC2)(n2cccc2C=[N]1C(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccccc1
• 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: 9.53 ± 0.003 Å
• b: 17.85 ± 0.006 Å
• c: 20.35 ± 0.007 Å
• α: 109.89 ± 0.004°
• β: 96.251 ± 0.002°
• γ: 93.303 ± 0.003°
• Cell volume: 3219.3 ± 1.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0988
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No