Information card for entry 7040978

Structure parameters

• Formula: C64 H76 O16 P4 Zn4
• Calculated formula: C64 H76 O16 P4 Zn4
• SMILES: C(C)(C)(C)[Zn]12[O]=P([O]3[Zn]4(C(C)(C)C)[O]5P(Oc6ccccc6)(=[O][Zn](C(C)(C)C)([O]1P(=[O][Zn]35C(C)(C)C)(Oc1ccccc1)Oc1ccccc1)[O]2P(=[O]4)(Oc1ccccc1)Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
• 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: 13.3893 ± 0.0004 Å
• b: 13.6598 ± 0.0004 Å
• c: 20.3328 ± 0.0005 Å
• α: 88.293 ± 0.002°
• β: 87.214 ± 0.002°
• γ: 66.693 ± 0.002°
• Cell volume: 3411.05 ± 0.17 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: 0.0378
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No