Information card for entry 7708800

Structure parameters

• Formula: C9 H2 K N5 O3
• Calculated formula: C9 H2 K N5 O3
• Title of publication: Coordination polymers of 5-substituted 1,2,3,4-tetracyanocyclopentadienides: structural and electrochemical properties of complex compounds of 5-amino- and 5-nitro-tetracyanocyclopentadienide
• Authors of publication: Nimax, Patrick; Rotthowe, Nils; Zoller, Florian; Blockhaus, Tobias; Wagner, Friedrich Ernst; Fattakhova-Rohlfing, Dina; Sünkel, Karlheinz
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 6.5523 ± 0.0002 Å
• b: 10.7066 ± 0.0004 Å
• c: 15.8675 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1113.15 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No