Information card for entry 4076430

Structure parameters

• Common name: 4a
• Formula: C31 H55 Ca N3 O2 Si2
• Calculated formula: C31 H55 Ca N3 O2 Si2
• 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: 10.6913 ± 0.0009 Å
• b: 15.342 ± 0.0011 Å
• c: 22.2988 ± 0.0017 Å
• α: 90°
• β: 96.069 ± 0.004°
• γ: 90°
• Cell volume: 3637.1 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No