Information card for entry 4076433

Structure parameters

• Common name: 7a
• Formula: C38 H50 Mg N4 O
• Calculated formula: C38 H50 Mg N4 O
• SMILES: [Mg]12([O]3CCCC3)(n3cccc3C=[N]1c1c(cccc1C(C)C)C(C)C)n1cccc1C=[N]2c1c(cccc1C(C)C)C(C)C
• Title of publication: Preparation and Structure of Iminopyrrolyl and Amidopyrrolyl Complexes of Group 2 Metals
• Authors of publication: Panda, Tarun K.; Yamamoto, Keishi; Yamamoto, Koji; Kaneko, Hiroshi; Yang, Yi; Tsurugi, Hayato; Mashima, Kazushi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 2268
• a: 11.676 ± 0.005 Å
• b: 21.378 ± 0.005 Å
• c: 17.882 ± 0.005 Å
• α: 90°
• β: 127.853 ± 0.017°
• γ: 90°
• Cell volume: 3524 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.1047
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No