Information card for entry 7116283

Structure parameters

• Formula: C76 H77 As5 B Cl6 Cu3 F4 Fe P6
• Calculated formula: C76 H77 As5 B Cl6 Cu3 F4 Fe P6
• Title of publication: Organometallic polyphosphorus and -arsenic ligands as linkers between pre-assembled linear Cu(I) fragments.
• Authors of publication: Fleischmann, Martin; Dütsch, Luis; Moussa, Mehdi Elsayed; Schindler, Andrea; Balázs, Gábor; Lescop, Christophe; Scheer, Manfred
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 14
• Pages of publication: 2893
• a: 12.5858 ± 0.0001 Å
• b: 24.4849 ± 0.0002 Å
• c: 27.9362 ± 0.0002 Å
• α: 90°
• β: 98.748 ± 0.001°
• γ: 90°
• Cell volume: 8508.73 ± 0.12 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 9
• 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: 0.0549
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No