Information card for entry 7203019

Structure parameters

• Formula: C24 H22 Co N6 O6
• Calculated formula: C24 H22 Co N6 O6
• SMILES: [Co]123(ON(=[O]1)=O)(ON(=O)=O)[n]1ccccc1C[N]3(c1ccc(Cc3ccccn3)cc1)Cc1[n]2cccc1
• Title of publication: Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand
• Authors of publication: Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 997
• a: 9.3562 ± 0.0002 Å
• b: 10.2179 ± 0.0002 Å
• c: 13.8837 ± 0.0004 Å
• α: 101.079 ± 0.001°
• β: 96.15 ± 0.001°
• γ: 110.015 ± 0.001°
• Cell volume: 1202.18 ± 0.05 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0725
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No