Information card for entry 7000207

Structure parameters

• Common name: Zn((Me2pz)2C(C6H2(tBu)2O)Me
• Chemical name: Zn{(Me2pz)2C(C6H2(tBu)2O}Me
• Formula: C26 H38 N4 O Zn
• Calculated formula: C26 H38 N4 O Zn
• SMILES: [Zn]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)C
• 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: 10.1798 ± 0.0002 Å
• b: 11.0522 ± 0.0003 Å
• c: 12.7119 ± 0.0003 Å
• α: 69.3059 ± 0.0011°
• β: 85.6402 ± 0.0011°
• γ: 79.8464 ± 0.0011°
• Cell volume: 1316.83 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections included in the refinement: 0.0335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No