Information card for entry 7006221

Structure parameters

• Formula: C18 H30 Co N2 O2 P2
• Calculated formula: C18 H30 Co N2 O2 P2
• SMILES: [Co]12(n3cccc3C(C)=[O]1)(n1cccc1C(C)=[O]2)([P](C)(C)C)[P](C)(C)C
• 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: 8.0704 ± 0.0005 Å
• b: 10.0296 ± 0.0005 Å
• c: 13.2877 ± 0.0008 Å
• α: 90°
• β: 92.07 ± 0.003°
• γ: 90°
• Cell volume: 1074.84 ± 0.11 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.0744
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No