Information card for entry 4075189

Structure parameters

• Formula: C38 H64 Mo2 O4 P2 Pd2
• Calculated formula: C38 H64 Mo2 O4 P2 Pd2
• SMILES: [C]12(=O)[Mo]3456789%10(C(=O)[Pd]%1114([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Mo]14%12%13%14%1529([C]5(=O)[Pd]%10%11%15([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C1=O)[cH]1[cH]4[cH]%12[cH]%13[cH]%141)[cH]1[cH]3[cH]8[cH]7[cH]61
• 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: 24.2769 ± 0.0011 Å
• b: 10.9943 ± 0.0005 Å
• c: 17.3532 ± 0.0008 Å
• α: 90°
• β: 116.902 ± 0.001°
• γ: 90°
• Cell volume: 4130.5 ± 0.3 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: 0.0267
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No