Information card for entry 7036865

Structure parameters

• Formula: C60 H62 N4 O3 Sr
• Calculated formula: C60 H62 N4 O3 Sr
• SMILES: [Sr]12([O]3CCCC3)([O]3CCCC3)(n3cccc3C=[N]1C(c1ccccc1)(c1ccccc1)c1ccccc1)n1cccc1C=[N]2C(c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
• 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: 11.5131 ± 0.0013 Å
• b: 13.2509 ± 0.0013 Å
• c: 18.1457 ± 0.0015 Å
• α: 75.334 ± 0.008°
• β: 78.968 ± 0.009°
• γ: 71.14 ± 0.01°
• Cell volume: 2516.1 ± 0.5 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: 0.0975
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.2361
• Weighted residual factors for all reflections included in the refinement: 0.248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No