Information card for entry 4311166

Structure parameters

• Formula: C28 H37 Gd N O17
• Calculated formula: C28 H36 Gd N O17
• Title of publication: Structure of Discrete (H2O)12 Clusters Present in the Cavity of Polymeric Interlinked Metallocycles of Nd(III) or Gd(III) and a Podand Ligand
• Authors of publication: Subhadip Neogi; G. Savitha; Parimal K. Bharadwaj
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3771 - 3773
• a: 10.861 ± 0.005 Å
• b: 11.6 ± 0.005 Å
• c: 13.806 ± 0.005 Å
• α: 95.385 ± 0.005°
• β: 103.105 ± 0.005°
• γ: 108.467 ± 0.005°
• Cell volume: 1580.8 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0291
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No