Information card for entry 7238482

Structure parameters

• Formula: C45 H38 Cl3 Fe N2 P Pd
• Calculated formula: C45 H38 Cl3 Fe N2 P Pd
• 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: 9.817 ± 0.006 Å
• b: 11.219 ± 0.005 Å
• c: 19.794 ± 0.009 Å
• α: 76.47 ± 0.03°
• β: 82.46 ± 0.03°
• γ: 69.94 ± 0.03°
• Cell volume: 1987.9 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No