Information card for entry 4074485

Structure parameters

• Formula: C56 H78 Mg2 N4 O2
• Calculated formula: C56 H76 Mg2 N4 O2
• SMILES: [Mg]12(c3c(cc(cc3C)C)C)[O](c3c(cc(cc3CN3C=1N(C=C3)C)C(C)(C)C)C(C)(C)C)[Mg]1([O]2c2c(cc(cc2CN2C=1N(C=C2)C)C(C)(C)C)C(C)(C)C)c1c(cc(cc1C)C)C
• Title of publication: Deprotonation Attempts on Imidazolium Salt Tethered by Substituted Phenol and Construction of Its Magnesium Complex by Transmetalation
• Authors of publication: Zhang, Dao; Kawaguchi, Hiroyuki
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 5506 - 5509
• a: 12.325 ± 0.004 Å
• b: 25.461 ± 0.009 Å
• c: 17.227 ± 0.006 Å
• α: 90°
• β: 89.957 ± 0.005°
• γ: 90°
• Cell volume: 5406 ± 3 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No