Information card for entry 4071726

Structure parameters

• Formula: C38 H32 Fe O4 P2 Pt
• Calculated formula: C38 H31 Fe O4 P2 Pt
• SMILES: [Pt]12([P]([c]34[Fe]56789%10%11([c]%12([P]1(c1ccccc1)c1ccccc1)[cH]5[cH]6[cH]7[cH]8%12)[cH]3[cH]9[cH]%10[cH]4%11)(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: 10.562 ± 0.003 Å
• b: 10.742 ± 0.003 Å
• c: 15.34 ± 0.004 Å
• α: 84.819 ± 0.006°
• β: 72.969 ± 0.006°
• γ: 73.107 ± 0.005°
• Cell volume: 1592.3 ± 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: 0.1618
• Residual factor for significantly intense reflections: 0.1491
• Weighted residual factors for significantly intense reflections: 0.3901
• Weighted residual factors for all reflections included in the refinement: 0.3953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No