Information card for entry 4076434

Structure parameters

• Common name: 7b
• Formula: C34 H42 Mg N4 O2
• Calculated formula: C34 H42 Mg N4 O2
• SMILES: c1ccc(n1[Mg]12([O]3CCCC3)([O]3CCCC3)n3cccc3C(=[N]1c1ccc(cc1)C)C)C(=[N]2c1ccc(cc1)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: 11.596 ± 0.005 Å
• b: 10.053 ± 0.005 Å
• c: 16.721 ± 0.005 Å
• α: 90°
• β: 127.922 ± 0.018°
• γ: 90°
• Cell volume: 1537.7 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No