Information card for entry 7029368

Structure parameters

• Formula: C12 H13 Co N12
• Calculated formula: C12 H13 Co N12
• SMILES: [Co]12([NH](Cc3[n]2cccc3)Cc2[n]1cccc2)(N=N#N)(N=N#N)N=N#N
• Title of publication: Methylene bridge regulated geometrical preferences of ligands in cobalt(iii) coordination chemistry and phenoxazinone synthase mimicking activity.
• Authors of publication: Panja, Anangamohan; Shyamal, Milan; Saha, Amrita; Mandal, Tarun Kanti
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 14
• Pages of publication: 5443 - 5452
• a: 11.59 ± 0.003 Å
• b: 17.073 ± 0.005 Å
• c: 17.299 ± 0.005 Å
• α: 90 ± 0.005°
• β: 108.696 ± 0.004°
• γ: 90 ± 0.005°
• Cell volume: 3242.4 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1172
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.228
• Weighted residual factors for all reflections included in the refinement: 0.246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No