Information card for entry 4332673

Structure parameters

• Formula: C42 H54 N6 O23 P2 S2 Zn53
• Calculated formula: C42 H32 N6 O23 P2 S2 Zn3
• Title of publication: Three Novel Zinc(II) Sulfonate−Phosphonates with Tetranuclear or Hexanuclear Cluster Units
• Authors of publication: Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6424 - 6430
• a: 13.5396 ± 0.0001 Å
• b: 30.438 ± 0.0005 Å
• c: 15.7217 ± 0.0003 Å
• α: 90°
• β: 110.535 ± 0.001°
• γ: 90°
• Cell volume: 6067.5 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No