Information card for entry 4345064

Structure parameters

• Formula: C10 H10 Co N8 O4
• Calculated formula: C10 H10 Co N8 O4
• SMILES: [Co]([n]1c(cc[nH]c1=O)N)([n]1c(=O)[nH]ccc1N)(N=C=O)N=C=O
• Title of publication: Cytosine Nucleobase Ligand: A Suitable Choice for Modulating Magnetic Anisotropy in Tetrahedrally Coordinated Mononuclear Co(II) Compounds.
• Authors of publication: Bruno, Rosaria; Vallejo, Julia; Marino, Nadia; De Munno, Giovanni; Krzystek, J.; Cano, Joan; Pardo, Emilio; Armentano, Donatella
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 1857 - 1864
• a: 7.4076 ± 0.0005 Å
• b: 8.6627 ± 0.0006 Å
• c: 11.62 ± 0.0008 Å
• α: 97.195 ± 0.003°
• β: 93.976 ± 0.003°
• γ: 103.077 ± 0.002°
• Cell volume: 716.91 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1209
• 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