Information card for entry 4328635

Structure parameters

• Formula: C36 H30 Cl2 Cu2 P2
• Calculated formula: C36 H30 Cl2 Cu2 P2
• Title of publication: Copper Ion Mediated Selective Cleavage of C-S Bond in Ferrocenylthiosemicarbazone Forming Mixed Geometrical [(PPh3)Cu(μ-S)2Cu(PPh3)2] Having Cu2S2Core: Toward a New Avenue in Copper-Sulfur Chemistry
• Authors of publication: Rathinasabapathi Prabhakaran; Palaniappan Kalaivani; Somanur V. Renukadevi; Rui Huang; Kittusamy Senthilkumar; Ramasamy Karvembu; Karuppannan Natarajan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3525 - 3532
• a: 17.428 ± 0.004 Å
• b: 20.418 ± 0.004 Å
• c: 18.156 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6461 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 0.762
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No