Information card for entry 4343102

Structure parameters

• Formula: C33 H33 Co N8
• Calculated formula: C33 H33 Co N8
• SMILES: [Co]123N4C5=CC6=[N]3C(=Nc3[n]2c(nc2ccccc32)c2[n]1c(N=C4C(C5(C)C)(C)C)c1ccccc1n2)C(C6(C)C)(C)C
• 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: 10.199 ± 0.003 Å
• b: 20.351 ± 0.006 Å
• c: 26.781 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5559 ± 3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No