Information card for entry 4304823

Structure parameters

• Formula: C36 H28 N4
• Calculated formula: C36 H28 N4
• SMILES: [N](#[C])c1c2cccc1CCc1c([N]#[C])c(ccc1)CCc1c([N]#[C])c(ccc1)CCc1c([N]#[C])c(ccc1)CC2
• Title of publication: Multipoint Anchoring of the [2.2.2.2]Metacyclophane Motif to a Gold Surface via Self-Assembly: Coordination Chemistry of a Cyclic Tetraisocyanide Revisited
• Authors of publication: Masaharu Toriyama; Tiffany R. Maher; Thomas C. Holovics; Kumar Vanka; Victor W. Day; Cindy L. Berrie; Ward H. Thompson; Mikhail V. Barybin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3284 - 3291
• a: 12.8787 ± 0.0005 Å
• b: 14.0977 ± 0.0006 Å
• c: 16.1673 ± 0.0006 Å
• α: 90°
• β: 106.795 ± 0.002°
• γ: 90°
• Cell volume: 2810.13 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0601
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No