Information card for entry 4309464

Structure parameters

• Common name: Pd2(DAniF)4
• Formula: C60 H60 N8 O8 Pd2
• Calculated formula: C60 H60 N8 O8 Pd2
• SMILES: C1=[N](c2ccc(OC)cc2)[Pd]234[N](c5ccc(cc5)OC)=CN(c5ccc(OC)cc5)[Pd]4([N](=CN2c2ccc(OC)cc2)c2ccc(OC)cc2)([N](=CN3c2ccc(OC)cc2)c2ccc(OC)cc2)N1c1ccc(OC)cc1
• Title of publication: Searching for Precursors to Metal-Metal Bonded Dipalladium Species: A Study of Pd24+ Complexes
• Authors of publication: John F. Berry; F. Albert Cotton; Sergey A. Ibragimov; Carlos A. Murillo; Xiaoping Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6129 - 6137
• a: 10.306 ± 0.003 Å
• b: 10.337 ± 0.003 Å
• c: 13.774 ± 0.005 Å
• α: 81.103 ± 0.005°
• β: 76.788 ± 0.005°
• γ: 81.146 ± 0.006°
• Cell volume: 1400.6 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No