Information card for entry 7000601

Structure parameters

• Formula: C17 H4 Cu2 Fe4 N2 O12
• Calculated formula: C17 H4 Cu2 Fe4 N2 O12
• Title of publication: Copolymerization of Fe4Cu2C(CO)12 moieties with bidentate N-ligands: synthesis and crystal structure of the [Fe4Cu2(μ6-C)(CO)12(μ-bipy)]4·8THF square tetramer and the infinite [Fe4Cu2(μ6-C)(CO)12(μ-L‒L)]∞zigzag chains
• Authors of publication: Femoni, Cristina; Della Pergola, Roberto; Iapalucci, Maria Carmela; Kaswalder, Francesco; Riccò, Mauro; Zacchini, Stefano
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1509 - 1511
• a: 9.977 ± 0.003 Å
• b: 15.892 ± 0.006 Å
• c: 15.024 ± 0.004 Å
• α: 90°
• β: 93.389 ± 0.009°
• γ: 90°
• Cell volume: 2378 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1284
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No