Information card for entry 7034689

Structure parameters

• Formula: C14 H12 Cl3 Co N7
• Calculated formula: C14 H12 Cl3 Co N7
• SMILES: c1(N2Cc3cccc[n]3[Co]([n]3c(cccc3)C2)(Cl)Cl)nnc(Cl)nn1
• Title of publication: Structural, photophysical and magnetic properties of transition metal complexes based on the dipicolylamino-chloro-1,2,4,5-tetrazine ligand.
• Authors of publication: Nazarenko, Iuliia; Pop, Flavia; Sun, Qinchao; Hauser, Andreas; Lloret, Francesc; Julve, Miguel; El-Ghayoury, Abdelkrim; Avarvari, Narcis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 8855 - 8866
• a: 15.4148 ± 0.0007 Å
• b: 16.0564 ± 0.0009 Å
• c: 7.2026 ± 0.0004 Å
• α: 90°
• β: 95.494 ± 0.004°
• γ: 90°
• Cell volume: 1774.5 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1577
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No