Information card for entry 4310422

Structure parameters

• Chemical name: 4,16-bis(benzophenone-imine)-[2.2]paracyclophane
• Formula: C42 H34 N2
• Calculated formula: C42 H34 N2
• SMILES: c1(ccccc1)C(=Nc1cc2ccc1CCc1cc(N=C(c3ccccc3)c3ccccc3)c(cc1)CC2)c1ccccc1
• 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: 13.659 ± 0.0015 Å
• b: 12.7292 ± 0.0014 Å
• c: 8.8871 ± 0.0009 Å
• α: 90°
• β: 94.056 ± 0.003°
• γ: 90°
• Cell volume: 1541.3 ± 0.3 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: 0.1293
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No