Information card for entry 4332672

Structure parameters

• Formula: C120 H102 N16 O35 P4 S4 Zn6
• Calculated formula: C120 H80 N16 O35 P4 S4 Zn6
• 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: 13.9916 ± 0.0004 Å
• b: 14.0668 ± 0.0004 Å
• c: 17.5288 ± 0.0005 Å
• α: 97.816 ± 0.001°
• β: 98.731 ± 0.001°
• γ: 114.932 ± 0.001°
• Cell volume: 3014.26 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.106
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.285
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No