Information card for entry 7000204

Structure parameters

• Common name: Mg((Me2pz)2C(C6H2(tBu)2O)Bu
• Chemical name: Mg{(Me2pz)2C(C6H2(tBu)2O}Bu
• Formula: C29 H44 Mg N4 O
• Calculated formula: C29 H44 Mg N4 O
• SMILES: [Mg]12([n]3n(c(cc3C)C)C(n3[n]1c(cc3C)C)c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)CCCC
• Title of publication: Sodium, magnesium and zinc complexes of mono(phenolate) heteroscorpionate ligands
• Authors of publication: Schofield, A. Daniel; Barros, Mariana Luna; Cushion, Michael G.; Schwarz, Andrew D.; Mountford, Philip
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 85 - 96
• a: 11.2537 ± 0.0002 Å
• b: 21.1315 ± 0.0005 Å
• c: 23.8492 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5671.5 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No