Information card for entry 7015609

Structure parameters

• Formula: C55 H54 Cl2 Cu6 Fe8 N10 O24
• Calculated formula: C55 H52 Cl2 Cu6 Fe8 N10 O24
• 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: 13.9712 ± 0.0008 Å
• b: 26.587 ± 0.0015 Å
• c: 20.2166 ± 0.0011 Å
• α: 90°
• β: 94.27 ± 0.001°
• γ: 90°
• Cell volume: 7488.7 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Goodness-of-fit parameter for all reflections: 0.978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No