Information card for entry 4075191

Structure parameters

• Formula: C38 H64 O4 P2 Pd2 W2
• Calculated formula: C38 H64 O4 P2 Pd2 W2
• SMILES: [P](C(C)(C)C)(C(C)(C)C)(C(C)(C)C)[Pd]1234[W]56789(C1=O)(C2=O)([cH]1[cH]7[cH]6[cH]8[cH]51)[W]1256783(C(=O)[Pd]498([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C1=O)[cH]1[cH]7[cH]6[cH]5[cH]21
• Title of publication: Unsaturated Cyclopentadienyl-Molybdenum and Tungsten Carbonyl Cluster Complexes Containing Pd- and Pt(PBut3) Groups
• Authors of publication: Adams, Richard D.; Hollandsworth, Carl B.; Smith, Jack L.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2673
• a: 23.96 ± 0.005 Å
• b: 11.018 ± 0.003 Å
• c: 17.221 ± 0.004 Å
• α: 90°
• β: 115.926 ± 0.004°
• γ: 90°
• Cell volume: 4088.7 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No