Information card for entry 4301647

Structure parameters

• Common name: thallium(I) nitrosodicyanmethanide
• Chemical name: Thallium(I) Nitrosodicyanomethanide
• Formula: C3 N3 O Tl
• Calculated formula: C3 N3 O Tl
• SMILES: C(C#N)(=N[O-])C#N.[Tl+]
• Title of publication: Monovalent K, Cs, Tl, and Ag Nitrosodicyanomethanides: Completely Different 3D Networks with Useful Properties of Luminescent Materials and Nonelectric Sensors for Gases
• Authors of publication: Garrett Glover; Nikolay Gerasimchuk; Richard Biagioni; Konstantin V. Domasevitch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2371 - 2382
• a: 15.5346 ± 0.0012 Å
• b: 8.2402 ± 0.0005 Å
• c: 10.5347 ± 0.0009 Å
• α: 90°
• β: 129.692 ± 0.006°
• γ: 90°
• Cell volume: 1037.68 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No