Information card for entry 7040981

Structure parameters

• Formula: C20 H60 O26 P6 Zn9
• Calculated formula: C20 H60 O26 P6 Zn9
• SMILES: C[Zn]12[O]=P(OC)(OC)[O]3[Zn]4(C)[O]5=P([O]2[Zn]2([O]1=P([O]1[Zn]3(C)[O]34[Zn]4(C)[O]6=P([O]7[Zn]8(C)[O]9P(=[O][Zn]6(C)[O]4P(=[O]4[Zn]9(C)[O]28[Zn]51374)(OC)OC)(OC)OC)(OC)OC)(OC)OC)C)(OC)OC
• Title of publication: Alkylzinc diorganophosphates: synthesis, structural diversity and unique ability to incorporate zincoxane units.
• Authors of publication: Wolska-Pietkiewicz, Małgorzata; Swierkosz, Adam; Justyniak, Iwona; Grala, Agnieszka; Sokołowski, Kamil; Lewiński, Janusz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 47
• Pages of publication: 18813 - 18816
• a: 12.8404 ± 0.0002 Å
• b: 12.5132 ± 0.0002 Å
• c: 16.2848 ± 0.0003 Å
• α: 90°
• β: 100.804 ± 0.002°
• γ: 90°
• Cell volume: 2570.17 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0314
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No