Information card for entry 7015608

Structure parameters

• Formula: C47 H40 Cu3 Fe4 N2 O12 P S4
• Calculated formula: C47 H40 Cu3 Fe4 N2 O12 P S4
• Title of publication: Structural variations, electrochemical properties and computational studies on monomeric and dimeric Fe-Cu carbide clusters, forming copper-based staple arrays.
• Authors of publication: Pergola, Roberto Della; Bruschi, Maurizio; Sironi, Annalisa; Manassero, Mario; Manassero, Carlo; Strumolo, Donatella; Fedi, Serena; Zanello, Piero
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 20
• Pages of publication: 5464 - 5475
• a: 20.3661 ± 0.001 Å
• b: 18.7116 ± 0.0009 Å
• c: 28.4567 ± 0.0014 Å
• α: 90°
• β: 95.72 ± 0.001°
• γ: 90°
• Cell volume: 10790.3 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Goodness-of-fit parameter for all reflections: 0.975
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No