Information card for entry 7009306

Structure parameters

• Formula: C20 H19 N4 O Tl
• Calculated formula: C20 H19 N4 O 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: 8.413 ± 0.003 Å
• b: 9.509 ± 0.003 Å
• c: 12.148 ± 0.005 Å
• α: 81.02 ± 0.03°
• β: 78.17 ± 0.03°
• γ: 85.76 ± 0.03°
• Cell volume: 938.6 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0433
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections: 0.1311
• Weighted residual factors for significantly intense reflections: 0.0978
• Goodness-of-fit parameter for all reflections: 0.919
• Goodness-of-fit parameter for significantly intense reflections: 0.909
• Diffraction radiation wavelength: 0.7093 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No