Information card for entry 7206548

Structure parameters

• Formula: C152 H116 Ag5 Fe3 N18 O33 S5
• Calculated formula: C130.86 H81 Ag5 Fe3 N18 O23.94 S0.66
• Title of publication: The novel metalloligand [Fe(bppd)3] (bppd = 1,3-bis(4-pyridyl)-1,3-propanedionate) for the crystal engineering of heterometallic coordination networks with different silver salts. Anionic control of the structures
• Authors of publication: Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Visconti, Marco
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 5891
• a: 27.6841 ± 0.0011 Å
• b: 27.6841 ± 0.0011 Å
• c: 17.4801 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11602.1 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.2368
• Residual factor for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections: 0.455
• Weighted residual factors for all reflections included in the refinement: 0.4279
• Goodness-of-fit parameter for all reflections: 1.429
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No