Information card for entry 7009305

Structure parameters

• Formula: C13 H24 N5 O6 Tl
• Calculated formula: C13 H24 N5 O6 Tl
• Title of publication: Thallium(I)- and organothallium(III)-substituted mono-, bis- and tris-tetrazoles: synthesis and supramolecular structures
• Authors of publication: Bhandari, Sonali; Mahon, Mary F.; Molloy, Kieran C.; Palmer, Julie S.; Sayers, Stephen F.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 1053
• a: 11.922 ± 0.002 Å
• b: 8.5 ± 0.001 Å
• c: 19.517 ± 0.003 Å
• α: 90°
• β: 104.41 ± 0.01°
• γ: 90°
• Cell volume: 1915.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections: 0.2024
• Weighted residual factors for significantly intense reflections: 0.1972
• Goodness-of-fit parameter for all reflections: 1.192
• Goodness-of-fit parameter for significantly intense reflections: 1.192
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No