Information card for entry 7109652

Structure parameters

• Common name: Naphthalenebishydraziimide
• Formula: C44 H46 F6 N4 O8
• Calculated formula: C44 H46 F6 N4 O8
• Title of publication: A tetrastable naphthalenediimide: anion induced charge transfer, single and double electron transfer for combinational logic gates
• Authors of publication: M. R. Ajayakumar; Geeta Hundal; Pritam Mukhopadhyay
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7684
• a: 12.939 ± 0.005 Å
• b: 16.079 ± 0.006 Å
• c: 10.585 ± 0.004 Å
• α: 90°
• β: 96.796 ± 0.011°
• γ: 90°
• Cell volume: 2186.7 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.2018
• Residual factor for significantly intense reflections: 0.1315
• Weighted residual factors for significantly intense reflections: 0.3415
• Weighted residual factors for all reflections included in the refinement: 0.387
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No