Information card for entry 4075188

Structure parameters

• Formula: C38 H64 Mo2 O4 P2 Pt2
• Calculated formula: C38 H64 Mo2 O4 P2 Pt2
• SMILES: [P](C(C)(C)C)(C(C)(C)C)(C(C)(C)C)[Pt]123[Mo]456789%10%11(C(=O)[Pt]%12%11([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[C]5(=O)[Mo]5%11%13%143%10%12([C]16=O)(C2=O)[cH]1[cH]5[cH]%11[cH]%13[cH]%141)[cH]1[cH]7[cH]9[cH]8[cH]41
• 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: 25.3036 ± 0.0011 Å
• b: 10.6197 ± 0.0005 Å
• c: 16.9923 ± 0.0007 Å
• α: 90°
• β: 114.6 ± 0.001°
• γ: 90°
• Cell volume: 4151.7 ± 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: 0.0237
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No