Information card for entry 7113722

Structure parameters

• Common name: (4,4'-bipyridine)-(squarate)-(bis-aquo)-iron(ii) trihydrated
• Chemical name: (4,4'-bipyridine)-(squarate)-(bis-aquo)-iron(II) trihydrated
• Formula: C14 H18 Fe N2 O9
• Calculated formula: C14 H18 Fe N2 O9
• Title of publication: The first unequivocally ferromagnetically coupled squarato complex: origin of the ferromagnetism in an interlocked 3D Fe(II) system
• Authors of publication: Konar, Sanjit; Corbella, Montserrat; Zangrando, Ennio; Ribas, Joan; Chaudhuri, Nirmalendu Ray
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 1424 - 1425
• a: 20.198 ± 0.004 Å
• b: 11.456 ± 0.003 Å
• c: 8.099 ± 0.002 Å
• α: 90°
• β: 109.07 ± 0.02°
• γ: 90°
• Cell volume: 1771.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0585
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Duplicate of: 7103703
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No