Information card for entry 7052272

Structure parameters

• Formula: C93 H88 Ce2 N16
• Calculated formula: C93 H88 Ce2 N16
• Title of publication: Synthesis and magnetic properties of cerium macrocyclic complexes with tetramethyldibenzotetraaza[14]annulene, tmtaaH2
• Authors of publication: Walter, Marc D.; Fandos, Rosa; Andersen, Richard A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 1065
• a: 11.4172 ± 0.0013 Å
• b: 11.5432 ± 0.0013 Å
• c: 16.4193 ± 0.0018 Å
• α: 107.72 ± 0.002°
• β: 90.261 ± 0.002°
• γ: 107.884 ± 0.002°
• Cell volume: 1950.1 ± 0.4 ų
• Cell temperature: 136 ± 2 K
• Ambient diffraction temperature: 136 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No