Information card for entry 7203334

Structure parameters

• Formula: C94 H82 Co2 N6 O10
• Calculated formula: C94 H82 Co2 N6 O10
• SMILES: c1(ccccc1)C1=CC2=[O][Co]3([n]4ccccc4)(O1)([n]1ccccc1)OC(=CC(=[O]3)c1ccccc1)c1cc(cc(C3=CC(c4ccccc4)=[O][Co]4([n]5ccccc5)([n]5ccccc5)(O3)OC(=CC(=[O]4)c3ccccc3)c3c(O)c2cc(C)c3)c1O)C.n1ccccc1.c1(ccccc1)C.n1ccccc1.c1(ccccc1)C
• Title of publication: Di- and trinuclear Co<small>^II</small> complexes of a bis-β-diketone ligand with variable conformation: structure and magnetic studies
• Authors of publication: Guillem Aromí; Helen Stoeckli-Evans; Simon J. Teat; Joan Cano; Joan Ribas
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 2635
• a: 11.1277 ± 0.0009 Å
• b: 11.9911 ± 0.0009 Å
• c: 15.5385 ± 0.0012 Å
• α: 88.681 ± 0.006°
• β: 78.05 ± 0.006°
• γ: 79.383 ± 0.006°
• Cell volume: 1993.5 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No