Information card for entry 7028974

Structure parameters

• Formula: C54 H71 Cl4 Fe K N4 O8 Zn2
• Calculated formula: C54 H72 Cl4 Fe K N4 O8 Zn2
• Title of publication: A tetradentate metalloligand: synthesis and coordination behaviour of a 2-pyridyl-substituted cyclobutadiene iron complex.
• Authors of publication: Rezaei Rad, Babak; Herrmann, Dirk; Lescop, Christophe; Wolf, Robert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4247 - 4250
• a: 13.8686 ± 0.0008 Å
• b: 14.35 ± 0.0005 Å
• c: 16.1195 ± 0.0007 Å
• α: 90°
• β: 114.168 ± 0.006°
• γ: 90°
• Cell volume: 2926.8 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No