Information card for entry 1100149

Structure parameters

• Chemical name: Diaqua-bis(1,10-phenanthroline-N,N')cobalt(II) acetate hexahydrate
• Formula: C28 H38 Co N4 O12
• Calculated formula: C28 H38 Co N4 O12
• SMILES: [Co]12([OH2])([OH2])([n]3c4c5[n]2cccc5ccc4ccc3)[n]2c3c4[n]1cccc4ccc3ccc2.[O-]C(=O)C.O=C([O-])C.O.O.O.O.O.O
• Title of publication: Unexpected formation and crystal structures of the mixed ligand complexes [Cu(OAc)(bipy)2]Cl.4H2O.1/2MeOH and [Co(OH2)2(phen)2](AcO)2. 6H2O
• Authors of publication: Carballo, Rosa; Covelo, Berta; Vazquez-Lopez, Ezequiel M.; Garcia-Martinez, Emilia
• Journal of publication: Z. Anorg. Allg. Chem.
• Year of publication: 2003
• Journal volume: 629
• Pages of publication: 244 - 248
• a: 9.556 ± 0.0017 Å
• b: 13.408 ± 0.003 Å
• c: 14.48 ± 0.003 Å
• α: 108.097 ± 0.004°
• β: 94.267 ± 0.005°
• γ: 110.194 ± 0.004°
• Cell volume: 1620.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1578
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.724
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No