Information card for entry 7027722

Structure parameters

• Formula: C18 H10 Fe2 O6 P S
• Calculated formula: C18 H10 Fe2 O6 P S
• Title of publication: Synthesis of a sulfido-capped triiron cluster with bridging phosphido ligands and its reactions with alkynes, phosphites and phosphines †
• Authors of publication: Choi, Nick; Conole, Gráinne; Kessler, Margalith; King, Jason D.; Mays, Martin J.; McPartlin, Mary; Pateman, Giles E.; Solan, Gregory A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 22
• Pages of publication: 3941
• a: 10.271 ± 0.002 Å
• b: 10.675 ± 0.002 Å
• c: 11.517 ± 0.002 Å
• α: 102.19 ± 0.03°
• β: 102.93 ± 0.03°
• γ: 117.93 ± 0.03°
• Cell volume: 1011.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.0845
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No