Information card for entry 7700844

Structure parameters

• Formula: C95 H80 Cl4 Fe4 Hg2 P4 Pd2
• Calculated formula: C95 H80 Cl4 Fe4 Hg2 P4 Pd2
• Title of publication: Diferrocenylmercury diphosphine diastereomers with unique geometries: trans-chelation at Pd(ii) with short Hg(ii)Pd(ii) contacts.
• Authors of publication: Tagne Kuate, Alain C.; Lalancette, Roger A.; Bannenberg, Thomas; Tamm, Matthias; Jäkle, Frieder
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 35
• Pages of publication: 13430 - 13439
• a: 21.669 ± 0.004 Å
• b: 10.733 ± 0.002 Å
• c: 17.663 ± 0.004 Å
• α: 90°
• β: 99.85 ± 0.03°
• γ: 90°
• Cell volume: 4047.4 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No