Information card for entry 4317669

Structure parameters

• Common name: 3Zn-cluster
• Formula: C28 H46 Cl2 N8 O6 P2 Zn3
• Calculated formula: C28 H46 Cl2 N8 O6 P2 Zn3
• Title of publication: New Structural Forms in Molecular Metal Phosphonates: Novel Tri- and Hexanuclear Zinc(II) Cages Containing Phosphonate and Pyrazole Ligands
• Authors of publication: Vadapalli Chandrasekhar; Savariraj Kingsley; Brian Rhatigan; Matthew K. Lam.; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1030 - 1032
• a: 11.4031 ± 0.002 Å
• b: 12.0802 ± 0.002 Å
• c: 16.9566 ± 0.002 Å
• α: 89.9634 ± 0.006°
• β: 71.9449 ± 0.005°
• γ: 67.4876 ± 0.007°
• Cell volume: 2032.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2788
• Weighted residual factors for all reflections included in the refinement: 0.2943
• Goodness-of-fit parameter for all reflections included in the refinement: 2.372
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No