Information card for entry 7704214

Structure parameters

• Formula: C92 H104 Br4 Cu4 Fe2 P4
• Calculated formula: C92 H104 Br4 Cu4 Fe2 P4
• Title of publication: Bulky 1,1'-bisphosphanoferrocenes and their coordination behaviour towards Cu(i).
• Authors of publication: Dey, Subhayan; Buzsáki, Daniel; Bruhn, Clemens; Kelemen, Zsolt; Pietschnig, Rudolf
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 6668 - 6681
• a: 12.8345 ± 0.0003 Å
• b: 15.7867 ± 0.0004 Å
• c: 25.8517 ± 0.0006 Å
• α: 90°
• β: 103.724 ± 0.002°
• γ: 90°
• Cell volume: 5088.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No