Information card for entry 7702585

Structure parameters

• Chemical name: (μ~2~-η^5^-dimethylaminomethylcyclopentadienyl)-(η^5^-cyclopentadienyl)-iron- (ferrocenylethynyl-dimethylsulfoxide-platinum(II)) 2(1/2 water solvate)
• Formula: C27 H33 Fe2 N O2 Pt S
• Calculated formula: C27 H31 Fe2 N O2 Pt S
• Title of publication: Acetylides of cycloplatinated ferrocenylamines; synthesis and redox chemistry†
• Authors of publication: McAdam, C. John; Blackie, Evan J.; Morgan, Joy L.; Mole, Sarah A.; Robinson, Brian H.; Simpson, Jim
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 16
• Pages of publication: 2362
• a: 29.924 ± 0.01 Å
• b: 10.132 ± 0.003 Å
• c: 19.366 ± 0.006 Å
• α: 90°
• β: 112.81 ± 0.007°
• γ: 90°
• Cell volume: 5412 ± 3 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 7
• 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: 0.0433
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No