Information card for entry 7040979

Structure parameters

• Formula: C27.5 H64 O16 P4 Zn4
• Calculated formula: C27.5 H64 O16 P4 Zn4
• SMILES: C(C)(C)(C)[Zn]12[O]3P(=[O][Zn]4(C(C)(C)C)[O](P(=[O]2)(OC)OC)[Zn]2(C(C)(C)C)[O]=P([O]1[Zn]3(C(C)(C)C)[O]=P([O]42)(OC)OC)(OC)OC)(OC)OC.Cc1ccccc1
• 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: 11.542 ± 0.0001 Å
• b: 15.798 ± 0.0002 Å
• c: 25.605 ± 0.0004 Å
• α: 78.419 ± 0.001°
• β: 83.387 ± 0.001°
• γ: 89.908 ± 0.001°
• Cell volume: 4542.24 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0457
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No