Information card for entry 7202172

Structure parameters

• Common name: dithiooxamide-1,10-phenanthroline (1/1)
• Chemical name: dithiooxamide-1,10-phenanthroline (1/1)
• Formula: C26 H20 N6 S2
• Calculated formula: C26 H20 N6 S2
• Title of publication: Strong N‒H⋯N hydrogen bonds and weak N‒H⋯S  C interactions in controlling the structure of the co-crystals of dithiooxamide with nitrogen heterocycles
• Authors of publication: Piotrkowska, Barbara; Wasilewska, Aleksandra; Gdaniec, Maria; Połoński, Tadeusz
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 1421
• a: 10.7438 ± 0.0009 Å
• b: 10.022 ± 0.0009 Å
• c: 10.9457 ± 0.001 Å
• α: 90°
• β: 96.11 ± 0.007°
• γ: 90°
• Cell volume: 1171.88 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No