Information card for entry 1100970

Structure parameters

• Formula: C7 H15 N O5 Sn
• Calculated formula: C7 H15 N O5 Sn
• SMILES: [Sn]12(C)(C)([NH](CC(=O)O1)CC(=O)O2)[OH]C
• Title of publication: Synthesis and Spectroscopic and X-ray Structural Characterization of R2SnIV-Oxydiacetate and -Iminodiacetate Complexes
• Authors of publication: Corrado Di Nicola; Agustin Galindo; John V. Hanna; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Eleonora Rivarola; Brian W. Skelton; Allan H. White
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3094 - 3102
• a: 10.6103 ± 0.0007 Å
• b: 6.7816 ± 0.0005 Å
• c: 15.501 ± 0.001 Å
• α: 90°
• β: 107.231 ± 0.001°
• γ: 90°
• Cell volume: 1065.31 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.044
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections: 1.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No