Information card for entry 2006891

Structure parameters

• Formula: C19 H26 Cl Co N4 O7
• Calculated formula: C19 H26 Cl Co N4 O7
• SMILES: [Co]1234(OC(=O)C[NH]2CCC[NH]3CC(=O)O1)[n]1cccc2c1c1[n]4cccc1cc2.[Cl-].O.O.O
• Title of publication: β-(1,10-Phenanthroline)(1,3-propanediamine-<i>N</i>,<i>N</i>'-diacetato)cobalt(III) Chloride Trihydrate
• Authors of publication: Hartshorn, Richard M.; Robinson, Ward T.; Telfer, Shane G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1757 - 1759
• a: 8.715 ± 0.006 Å
• b: 10.229 ± 0.005 Å
• c: 25.007 ± 0.012 Å
• α: 90°
• β: 96.17 ± 0.04°
• γ: 90°
• Cell volume: 2216 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 115 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes