Information card for entry 4342210

Structure parameters

• Common name: H(DECO), diethylamide-cyanoxime
• Chemical name: N,N'-diethylamono-2-oximino-cyanacetamide
• Formula: C7 H11 N3 O2
• Calculated formula: C7 H11 N3 O2
• SMILES: C(=N\O)(C#N)/C(=O)N(CC)CC
• Title of publication: 1D Polymeric Platinum Cyanoximate: A Strategy toward Luminescence in the Near-Infrared Region beyond 1000 nm.
• Authors of publication: Klaus, Danielle R.; Keene, Matthew; Silchenko, Svitlana; Berezin, Mikhail; Gerasimchuk, Nikolay
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1890 - 1900
• a: 8.5424 ± 0.001 Å
• b: 7.9608 ± 0.001 Å
• c: 13.2705 ± 0.0016 Å
• α: 90°
• β: 99.06 ± 0.002°
• γ: 90°
• Cell volume: 891.19 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No