Information card for entry 1551667

Structure parameters

• Formula: C36 H36 B3 Co2 F13 N8 O2
• Calculated formula: C36 H36 B3 Co2 F13 N8 O2
• SMILES: [Co]1234([F][Co]567(OO1)[N](Cc1[n]5cccc1)(Cc1[n]6cccc1)Cc1[n]7cccc1)[N](Cc1[n]2cccc1)(Cc1[n]3cccc1)Cc1[n]4cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Crystal Structure of a Dinuclear Co Complex with Doubly Bridged Fluoride and Peroxo Ligands: ^|^mu;-fluoro ^|^mu;-peroxo bis{tris(2-pyridylmethyl)amine} dicobalt(III) tris(tetrafluoroborate), [Co2(^|^mu;-F)(^|^mu;-O2)(tpa)2](BF4)3
• Authors of publication: SUENAGA, Yusaku; INOMATA, Masataka; UWAI, Kazuya; OKUDA, Koji; OKUBO, Takashi; MAEKAWA, Masahiko; KURODA-SOWA, Takayoshi
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2014
• Journal volume: 30
• Journal issue: 0
• Pages of publication: 57
• a: 10.452 ± 0.003 Å
• b: 12.529 ± 0.003 Å
• c: 16.708 ± 0.005 Å
• α: 106.41 ± 0.004°
• β: 106.916 ± 0.004°
• γ: 90.2807 ± 0.0013°
• Cell volume: 1999 ± 1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No