Information card for entry 7000600

Structure parameters

• Formula: C23 H8 Cu2 Fe4 N2 O12
• Calculated formula: C23 H8 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: 12.8908 ± 0.0008 Å
• b: 12.4231 ± 0.0007 Å
• c: 17.3878 ± 0.001 Å
• α: 90°
• β: 100.308 ± 0.001°
• γ: 90°
• Cell volume: 2739.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No