Information card for entry 7008648

Structure parameters

• Formula: C24 H20 Co F6 N6 O4 P
• Calculated formula: C24 H20 Co F6 N6 O4 P
• SMILES: [Co]12345678([cH]9[cH]1[cH]2[cH]3[c]49C(=O)Nn1c(c2ccccn2)nnc1c1ccccn1)[cH]1[cH]5[cH]6[cH]7[c]81C(=O)O.[P](F)(F)(F)(F)(F)[F-].O
• Title of publication: Novel organometallic building blocks for molecular crystal engineering. Part 4. Synthesis and characterization of mono- and bis-amido derivatives of [Co(III)(eta5-C5H4COOH)2]+ and their utilization as ligands.
• Authors of publication: Braga, Dario; Polito, Marco; Giaffreda, Stefano L.; Grepioni, Fabrizia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 16
• Pages of publication: 2766 - 2773
• a: 7.7355 ± 0.0002 Å
• b: 13.1359 ± 0.0004 Å
• c: 13.535 ± 0.0004 Å
• α: 105.762 ± 0.001°
• β: 90.145 ± 0.001°
• γ: 101.518 ± 0.001°
• Cell volume: 1294.61 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No