Information card for entry 4310421

Structure parameters

• Chemical name: 4,16-bis(picolinaldimine)-[2.2]paracyclophane (BPPc)
• Formula: C28 H24 N4
• Calculated formula: C28 H24 N4
• SMILES: c1(cc2ccc1CCc1cc(c(cc1)CC2)/N=C/c1ncccc1)/N=C/c1ncccc1
• Title of publication: Binuclear Rhenium(I) Complexes with Bridging [2.2]Paracyclophane-Diimine Ligands: Probing Electronic Coupling through π-π Interactions
• Authors of publication: P.J. Ball; Tanya Rarog Shtoyko; Jeanette A. Krause Bauer; Warren J. Oldham; William B. Connick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 622 - 632
• a: 8.2238 ± 0.0011 Å
• b: 15.336 ± 0.002 Å
• c: 8.4532 ± 0.0011 Å
• α: 90°
• β: 98.578 ± 0.003°
• γ: 90°
• Cell volume: 1054.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1017
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No