Information card for entry 4071725

Structure parameters

• Formula: C38 H32 Fe O4 P2 Pd
• Calculated formula: C38 H32 Fe O4 P2 Pd
• SMILES: [Pd]12([P]([c]34[Fe]56789%10%11([cH]3[cH]5[cH]6[cH]47)[c]3([cH]8[cH]9[cH]%10[cH]%113)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)CC2C(=O)O
• Title of publication: Unusual Hydrogenation of Fumarate Anion Followed by Metal−Carbon Bond Formation: Synthesis and Characterization of Two Metallochelates
• Authors of publication: Bar, Arun Kumar; Chakrabarty, Rajesh; Mukherjee, Partha Sarathi
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3806
• a: 10.647 ± 0.003 Å
• b: 10.747 ± 0.003 Å
• c: 15.536 ± 0.005 Å
• α: 85.044 ± 0.005°
• β: 72.925 ± 0.005°
• γ: 72.852 ± 0.005°
• Cell volume: 1623.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No