Information card for entry 4332390

Structure parameters

• Formula: C40 H48 Mo2 O6 P2 Pd2
• Calculated formula: C40 H48 Mo2 O6 P2 Pd2
• SMILES: [P]([Pd]123456C(=O)[Mo]789%10%11%122([C]1(=O)[Pd]126%12([P](CC)(CC)CC)(C(=O)[Mo]6%12%13%1452(C3=O)([C]41=O)[cH]1[cH]6[cH]%12[cH]%13[c]%141c1ccccc1)C%11=O)[cH]1[cH]7[cH]8[cH]9[c]%101c1ccccc1)(CC)(CC)CC
• Title of publication: Comparative Bonding Behavior of Functional Cyclopentadienyl Ligands and Boron-Containing Analogues in Heterometallic Complexes and Clusters†
• Authors of publication: Croizat, Pierre; Auvray, Nicolas; Braunstein, Pierre; Welter, Richard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 5852 - 5866
• a: 10.9789 ± 0.001 Å
• b: 14.453 ± 0.002 Å
• c: 13.274 ± 0.002 Å
• α: 90°
• β: 105.73 ± 0.05°
• γ: 90°
• Cell volume: 2027.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1875
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No