Information card for entry 7023143

Structure parameters

• Formula: C71 H103 N8 O20 P4 Zn4
• Calculated formula: C71 H92 N8 O20 P4 Zn4
• SMILES: [Zn]12([O]=P3(O[Zn]4([O]=P(O2)(O[Zn]2([O]=P(O1)(O[Zn](O3)([O]=P(O4)(O2)Oc1c(cccc1C(C)C)C(C)C)[n]1ccc(N)cc1)Oc1c(cccc1C(C)C)C(C)C)[n]1ccc(N)cc1)Oc1c(cccc1C(C)C)C(C)C)[n]1ccc(N)cc1)Oc1c(cccc1C(C)C)C(C)C)[n]1ccc(N)cc1.OC.OC.OC.O
• Title of publication: Cationic D4R zinc phosphate-anionic polyoxometalate hybrids: synthesis, spectra, structure and catalytic studies.
• Authors of publication: Kalita, Alok Ch; Roch-Marchal, Catherine; Murugavel, Ramaswamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 26
• Pages of publication: 9755 - 9763
• a: 17.1735 ± 0.0004 Å
• b: 22.6186 ± 0.0004 Å
• c: 22.4028 ± 0.0005 Å
• α: 90°
• β: 103.887 ± 0.002°
• γ: 90°
• Cell volume: 8447.8 ± 0.3 ų
• Cell temperature: 109 ± 2 K
• Ambient diffraction temperature: 109 ± 2 K
• Number of distinct elements: 6
• 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: 0.0861
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No