Information card for entry 7008694

Structure parameters

• Formula: C42 H51 Cl4 Fe2 N17 O16
• Calculated formula: C36 H42 Cl2 Fe2 N14 O8
• Title of publication: Dimetallic complexes of a structurally versatile pyridazine-containing Schiff-base macrocyclic ligand with pendant pyridine arms.
• Authors of publication: Weitzer, Markus; Brooker, Sally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 14
• Pages of publication: 2448 - 2454
• a: 14.496 Å
• b: 17.8357 ± 0.0003 Å
• c: 21.1804 ± 0.0004 Å
• α: 90°
• β: 105.417 ± 0.001°
• γ: 90°
• Cell volume: 5279.06 ± 0.14 ų
• Cell temperature: 84 ± 2 K
• Ambient diffraction temperature: 84 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No