Information card for entry 7008696

Structure parameters

• Formula: C40 H50 Cl4 Mn2 N16 O17
• Calculated formula: C40 H50 Cl4 Mn2 N16 O17
• 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: 14.0752 ± 0.0003 Å
• b: 18.062 ± 0.0003 Å
• c: 20.9482 ± 0.0004 Å
• α: 90°
• β: 98.438 ± 0.001°
• γ: 90°
• Cell volume: 5267.93 ± 0.17 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No