Information card for entry 7011069

Structure parameters

• Formula: C41.25 H34.5 Cl0.5 Fe2 N5 O4
• Calculated formula: C41.25 H34 Cl0.5 Fe2 N5 O4
• Title of publication: C2-Symmetric ligands containing hydrogen bond donors: synthesis and properties of Cu(II) complexes of 2,6-bis[N,N'-(2-carboxamidophenyl)carbamoyl]pyridine
• Authors of publication: Zahida Shirin; Joel Thompson; Louise Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold; A. S. Borovik
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1714 - 1720
• a: 9.5498 ± 0.0015 Å
• b: 12.0114 ± 0.0014 Å
• c: 16.472 ± 0.002 Å
• α: 75.037 ± 0.009°
• β: 87.88 ± 0.008°
• γ: 79.788 ± 0.013°
• Cell volume: 1796.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No