Information card for entry 7103322

Structure parameters

• Formula: C55.5 H79 Br4 Cl3 Cu4 Fe2 N2 P6
• Calculated formula: C54 H76 Br4 Cu4 Fe2 N2 P6
• Title of publication: Synthesis and unprecedented coordination behaviour of a novel 1,2,3-triphosphaferrocene complex.
• Authors of publication: Deng, Shining; Schwarzmaier, Christoph; Eichhorn, Christiane; Scherer, Otto; Wolmershäuser, Gotthelf; Zabel, Manfred; Scheer, Manfred
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 34
• Pages of publication: 4064 - 4066
• a: 15.1002 ± 0.001 Å
• b: 15.5709 ± 0.0011 Å
• c: 16.395 ± 0.0012 Å
• α: 110.545 ± 0.007°
• β: 94.432 ± 0.006°
• γ: 104.171 ± 0.006°
• Cell volume: 3442.8 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No