Information card for entry 7061031

Structure parameters

• Formula: C16 H14 Mn N8 O10
• Calculated formula: C16 H14 Mn N8 O10
• Title of publication: Effects of transition metal cations and temperature on the luminescence of a 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate anion
• Authors of publication: Gurskiy, Stanislav I.; Maklakov, Sergey S.; Dmitrieva, Natalia E.; Tafeenko, Viktor A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 46
• Pages of publication: 21684 - 21691
• a: 6.963 ± 0.002 Å
• b: 8.591 ± 0.001 Å
• c: 10.532 ± 0.002 Å
• α: 105.2 ± 0.02°
• β: 97.89 ± 0.02°
• γ: 109.8 ± 0.02°
• Cell volume: 554 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No