Information card for entry 7021992

Structure parameters

• Formula: C26 H40 N4 O4 Si2 Zn
• Calculated formula: C26 H40 N4 O4 Si2 Zn
• SMILES: [Zn]12([O]=c3n(C2(n2c(=O)cccc2)n2ccccc2=[O]1)cccc3)N([Si](C)(C)C)[Si](C)(C)C.O(CC)CC
• Title of publication: Synthesis and structural characterization of tris(2-pyridonyl)methyl complexes of zinc and thallium: a new class of metallacarbatranes and a monovalent thallium alkyl compound.
• Authors of publication: Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 39
• Pages of publication: 14053 - 14057
• a: 10.347 ± 0.003 Å
• b: 10.513 ± 0.003 Å
• c: 15.117 ± 0.005 Å
• α: 102.776 ± 0.005°
• β: 105.658 ± 0.005°
• γ: 97.886 ± 0.005°
• Cell volume: 1509.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No