Information card for entry 7009307

Structure parameters

• Formula: C16 H18 N4 O Tl
• Calculated formula: C16 H18 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: 7.596 ± 0.002 Å
• b: 9.862 ± 0.002 Å
• c: 11.388 ± 0.001 Å
• α: 108.88 ± 0.02°
• β: 97.69 ± 0.03°
• γ: 92.103 ± 0.012°
• Cell volume: 797 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 396 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections: 0.1065
• Weighted residual factors for significantly intense reflections: 0.1061
• Goodness-of-fit parameter for all reflections: 1.143
• Goodness-of-fit parameter for significantly intense reflections: 1.187
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No