Information card for entry 7009048

Structure parameters

• Formula: C12 H19 N5 Sn
• Calculated formula: C12 H19 N5 Sn
• Title of publication: Synthesis of functionalised (triorganostannyl)tetrazoles: supramolecular structures of n-[2-(triorganostannyl)tetrazol-5-yl]pyridine (n = 2, 3 or 4)†
• Authors of publication: Bhandari, Sonali; Frost, Christopher G.; Hague, Catherine E.; Mahon, Mary F.; Molloy, Kieran C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 663
• a: 8.263 ± 0.001 Å
• b: 8.263 ± 0.001 Å
• c: 38.991 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2305.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for all reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0426
• Goodness-of-fit parameter for all reflections: 1.132
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.7093 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No