Information card for entry 7006220

Structure parameters

• Formula: C16 H26 Co N2 O2 P2
• Calculated formula: C16 H26 Co N2 O2 P2
• SMILES: c1cc(C=O)n([Co](n2cccc2C=O)([P](C)(C)C)[P](C)(C)C)c1
• Title of publication: Bis(ketopyrrolyl) complexes of Co(II) stabilised by trimethylphosphine ligands.
• Authors of publication: Carabineiro, Sónia A; Gomes, Pedro T.; Veiros, Luís F; Freire, Cristina; Pereira, Laura C. J.; Henriques, Rui T.; Warren, John E.; Pascu, Sofia I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 46
• Pages of publication: 5460 - 5470
• a: 8.9836 ± 0.001 Å
• b: 11.384 ± 0.0012 Å
• c: 9.369 ± 0.001 Å
• α: 90°
• β: 94.408 ± 0.001°
• γ: 90°
• Cell volume: 955.33 ± 0.18 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0896
• Diffraction radiation wavelength: 0.6814 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No