Information card for entry 7013456

Structure parameters

• Formula: C36 H32 Cl3 Co2 Fe I O P S4
• Calculated formula: C36 H32 Cl3 Co2 Fe I O P S4
• Title of publication: The reaction of [{Co(?5-C5H5)}2{Fe(CO)2(PPh3)}(�3-S)(�3-CS)] and related complexes with carbon disulfide. Synthesis, structure and reactivity of [{Co(?5-C5H5)}2{Fe(CO)(L)}(�3-S)(�3-C2S3)] derivatives (L = PR3 and CNR)
• Authors of publication: Manning, Anthony R.; McAdam, C. John; Palmer, Anthony J.; Robinson, Brian H.; Simpson, Jim
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 4472
• a: 12.913 ± 0.0007 Å
• b: 20.9619 ± 0.001 Å
• c: 16.2086 ± 0.0008 Å
• α: 90°
• β: 100.293 ± 0.001°
• γ: 90°
• Cell volume: 4316.8 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 9
• 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: 0.0672
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No