Information card for entry 7117450

Structure parameters

• Formula: C144 H124 B4 Cl0 Cu4 F16 N12 O0 P4
• Calculated formula: C144 H124 B4 Cu4 F16 N12 P4
• Title of publication: Supramolecular metallacycles with a 'pseudo double-paracyclophane' structure based on flexible π-conjugated linkers.
• Authors of publication: Shen, W.; El Sayed Moussa, M.; Yao, Y.; Lescop, C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 58
• Pages of publication: 11560 - 11563
• a: 15.189 ± 0.002 Å
• b: 15.957 ± 0.002 Å
• c: 23.446 ± 0.002 Å
• α: 107.923 ± 0.004°
• β: 101.304 ± 0.004°
• γ: 104.447 ± 0.004°
• Cell volume: 5001.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No