Information card for entry 4343101

Structure parameters

• Formula: C35 H37 Cl5 Co N8
• Calculated formula: C35 H37 Cl5 Co N8
• SMILES: [Co]123(Cl)[n]4c5nc6c(c4N=C4N3C(=CC3=[N]2C(=Nc2[n]1c5nc1ccccc21)C(C3(C)C)(C)C)C(C4(C)C)(C)C)cccc6.ClCCl.ClCCl
• Title of publication: A Series of [Co(Mabiq)Cl2-n] (n = 0, 1, 2) Compounds and Evidence for the Elusive Bimetallic Form.
• Authors of publication: Puttock, Emma V.; Banerjee, Priyabrata; Kaspar, Manuel; Drennen, Liam; Yufit, Dmitry S.; Bill, Eckhard; Sproules, Stephen; Hess, Corinna R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5864 - 5873
• a: 11.6266 ± 0.0008 Å
• b: 21.9485 ± 0.0015 Å
• c: 15.0135 ± 0.001 Å
• α: 90°
• β: 108.541 ± 0.002°
• γ: 90°
• Cell volume: 3632.4 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No