Information card for entry 4332392

Structure parameters

• Formula: C32 H46 B2 Mo2 N2 O6 Pd2
• Calculated formula: C32 H46 B2 Mo2 N2 O6 Pd2
• SMILES: [B]1234=[CH]5[C]6(=[CH]7[C]8(=[CH]4[Mo]49%1025678([Pd]253([N]1(C(C)C)C(C)C)C(=O)[Mo]13678%115([B]5%12(=[CH]1[C]3(C)=[CH]7[C]8(=[CH]6%12)C)[N]([Pd]%10%115(C4=O)C9=O)(C(C)C)C(C)C)(C2=O)C#[O])C#[O])C)C
• 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: 8.352 ± 0.005 Å
• b: 20.035 ± 0.005 Å
• c: 10.811 ± 0.005 Å
• α: 90°
• β: 103.05 ± 0.05°
• γ: 90°
• Cell volume: 1762.3 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No