Information card for entry 7009049

Structure parameters

• Formula: C12 H21 N5 O Sn
• Calculated formula: C12 H21 N5 O Sn
• SMILES: [Sn]([OH2])(n1nc(nn1)c1cccnc1)(CC)(CC)CC
• 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: 13.781 ± 0.002 Å
• b: 14.764 ± 0.002 Å
• c: 16.227 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3301.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.1351
• Weighted residual factors for significantly intense reflections: 0.1097
• Goodness-of-fit parameter for all reflections: 1.135
• Goodness-of-fit parameter for significantly intense reflections: 1.116
• Diffraction radiation wavelength: 0.7093 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No