Information card for entry 7216299

Structure parameters

• Common name: Fluorene-tetracianoquinodimethane complex
• Formula: C25 H14 N4
• Calculated formula: C25 H16 N4
• Title of publication: Synthesis, structural and spectroscopic study of the donor?acceptor complexes between fluorene and D2h cyano molecular building blocksElectronic supplementary information (ESI) available: The 6 model structures 1a, 1b, 2a, 2b, 3a and 3b after periodic full geometry optimisation have been submitted in MOLDRAW format. See http://www.rsc.org/suppdata/ce/b3/b308380b/
• Authors of publication: Arrais, Aldo; Boccaleri, Enrico; Croce, Gianluca; Milanesio, Marco; Orlando, Roberto; Diana, Eliano
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 68
• Pages of publication: 388
• a: 11.011 ± 0.003 Å
• b: 13.105 ± 0.003 Å
• c: 6.789 ± 0.001 Å
• α: 90°
• β: 103.57 ± 0.04°
• γ: 90°
• Cell volume: 952.3 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No