Information card for entry 2233945

Structure parameters

• Chemical name: (Picolinato-κ^2^<i>N</i>,<i>O</i>)[Tris(2-isopropyl-1<i>H</i>-imidazol- 4-yl-κ<i>N</i>^3^)phosphane]cobalt(II) nitrate
• Formula: C24 H31 Co N8 O5 P
• Calculated formula: C24 H31 Co N8 O5 P
• SMILES: [Co]123([n]4c(P(c5c[nH]c(C(C)C)[n]15)c1c[nH]c(C(C)C)[n]21)c[nH]c4C(C)C)[n]1c(C(=O)O3)cccc1.N(=O)(=O)[O-]
• Title of publication: (Picolinato-κ^2^<i>N</i>,<i>O</i>)[tris(2-isopropyl-1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)phosphane]cobalt(II) nitrate
• Authors of publication: Reiss, Guido J.; Börgardts, Markus; Kunz, Peter C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m265 - m266
• a: 15.4012 ± 0.0005 Å
• b: 10.7035 ± 0.0003 Å
• c: 17.8548 ± 0.0005 Å
• α: 90°
• β: 90.491 ± 0.003°
• γ: 90°
• Cell volume: 2943.2 ± 0.15 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• 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: 0.0585
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes