Information card for entry 4332393

Structure parameters

• Formula: C32 H50 Mo2 N2 O6 P2 Pd2
• Calculated formula: C32 H50 Mo2 N2 O6 P2 Pd2
• SMILES: [P]([Pd]123456C(=O)[Mo]789%10%11%125(C(=O)[Pd]5%136%12([P](CC)(CC)CC)(C(=O)[Mo]6%12%14%154%13(C1=O)([C]25=O)[cH]1[cH]6[cH]%12[cH]%14[c]%151N(C)C)[C]37=O)[cH]1[cH]8[cH]9[cH]%10[c]%111N(C)C)(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: 9.208 ± 0.001 Å
• b: 9.938 ± 0.001 Å
• c: 11.061 ± 0.001 Å
• α: 106.08 ± 0.05°
• β: 99.15 ± 0.05°
• γ: 102.49 ± 0.05°
• Cell volume: 923.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0541
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No