Information card for entry 7238481

Structure parameters

• Formula: C28 H28 Cl2 Fe N2 O Pd S
• Calculated formula: C28 H28 Cl2 Fe N2 O Pd S
• Title of publication: Platinum(ii) and palladium(ii) complexes derived from 1-ferrocenylmethyl-3,5-diphenylpyrazole. Coordination, cyclometallation or transannulation?
• Authors of publication: López, Concepción; González, Asensio; Bosque, Ramon; Basu, Pradipta K.; Font-Bardía, Mercè; Calvet, Teresa
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 1986
• a: 15.938 ± 0.005 Å
• b: 13.226 ± 0.005 Å
• c: 26.424 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5570 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.2041
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No