Information card for entry 4341366

Structure parameters

• Formula: C78 H109 Co2 N2 Na3 O13
• Calculated formula: C78 H109 Co2 N2 Na3 O13
• SMILES: c12c(cc(C)cc2C[N]23[Co]456[O]1[Na]1([O]7c8c(C[N]9%10Cc%11c([O]([Co]%127%10[O](c7c(C9)cc(cc7C)C)[Na]([O]5c5c(cc(C)cc5C2)C)([OH]61%12)([O]1CCCC1)[O]1CCCC1)[Na]([O]1CCCC1)([O]1CCCC1)[O]4c1c(C)cc(C)cc1C3)c(cc(C)c%11)C)cc(cc8C)C)([O]1CCCC1)[O]1CCCC1)C
• Title of publication: Synthesis and Structural Features of Co(II) and Co(III) Complexes Supported by Aminotrisphenolate Ligand Scaffolds.
• Authors of publication: Martín, Carmen; Whiteoak, Christopher J.; Martin, Eddy; Escudero-Adán, Eduardo C; Galán-Mascarós, José Ramón; Kleij, Arjan W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 11675 - 11681
• a: 13.7435 ± 0.0014 Å
• b: 26.138 ± 0.003 Å
• c: 21.02 ± 0.002 Å
• α: 90°
• β: 90.337 ± 0.002°
• γ: 90°
• Cell volume: 7550.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No