Information card for entry 7110343

Structure parameters

• Formula: C78 H60 Cu4 Fe6 N4 O18 P4 S2
• Calculated formula: C78 H60 Cu4 Fe6 N4 O18 P4 S2
• Title of publication: Vapochemically and mechanochemically reversible polymerization/depolymerization of S-Fe-Cu carbonyl clusters
• Authors of publication: Chien-Nan Lin; Wei-Ting Jhu; Minghuey Shieh
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1134
• a: 35.4086 ± 0.001 Å
• b: 10.2025 ± 0.0003 Å
• c: 24.5709 ± 0.0008 Å
• α: 90°
• β: 107.17 ± 0.002°
• γ: 90°
• Cell volume: 8480.8 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No