Information card for entry 7112012

Structure parameters

• Formula: C74 H68 Cu2 F12 I2 N6 P2
• Calculated formula: C74 H68 Cu2 F12 I2 N6 P2
• SMILES: c1(ccc2c3[n]1[Cu]([n]1c(c4c(cc(cc4C)C)C)ccc(c31)cc2)[n]1ccccc1/C=C/c1[n](cccc1)[Cu]1[n]2c(ccc3ccc4ccc([n]1c4c23)c1c(c(c(I)c(c1C)C)C)C)c1c(cc(cc1C)C)C)c1c(c(c(I)c(c1C)C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A five-component nanorotor with speed regulation
• Authors of publication: Soumen K. Samanta; Jan W. Bats; Michael Schmittel
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2364
• a: 11.4761 ± 0.0006 Å
• b: 12.0349 ± 0.0006 Å
• c: 14.8885 ± 0.0007 Å
• α: 107.877 ± 0.001°
• β: 106.825 ± 0.001°
• γ: 101.575 ± 0.001°
• Cell volume: 1776.14 ± 0.15 ų
• Cell temperature: 171 ± 2 K
• Ambient diffraction temperature: 171 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No