Information card for entry 7040980

Structure parameters

• Formula: C49 H61 O15 P3 Zn5
• Calculated formula: C49 H61 O15 P3 Zn5
• SMILES: C[Zn]12[O]=P([O]3[Zn]45(C)[O](P(=[O]1)(Oc1ccccc1)Oc1ccccc1)[Zn]1(C)[O]4([Zn]35(C)[O]1P(Oc1ccccc1)(Oc1ccccc1)=[O]2)[Zn](C)([O]1CCCC1)[O]1CCCC1)(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: 12.443 ± 0.002 Å
• b: 12.963 ± 0.002 Å
• c: 20.208 ± 0.003 Å
• α: 71.335 ± 0.01°
• β: 76.664 ± 0.009°
• γ: 65.261 ± 0.008°
• Cell volume: 2786.9 ± 0.8 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: 0.1642
• Residual factor for significantly intense reflections: 0.1309
• Weighted residual factors for significantly intense reflections: 0.2484
• Weighted residual factors for all reflections included in the refinement: 0.2614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No