Information card for entry 2228882

Structure parameters

• Chemical name: Aqua(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(formato- κ^2^<i>O</i>,<i>O</i>')(formato-κ<i>O</i>)cobalt(II) monohydrate
• Formula: C16 H18 Co N2 O6
• Calculated formula: C16 H18 Co N2 O6
• SMILES: [Co]12([n]4c(ccc5ccc6ccc([n]1c6c45)C)C)([OH2])([O]=CO2)OC=O.O
• Title of publication: Aqua(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(formato-κ^2^<i>O</i>,<i>O</i>')(formato-κ<i>O</i>)cobalt(II) monohydrate
• Authors of publication: Ni, Sheng-Liang; Xia, Ping; Cao, Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m39 - m40
• a: 7.422 ± 0.0015 Å
• b: 10.441 ± 0.002 Å
• c: 11.419 ± 0.002 Å
• α: 82.92 ± 0.03°
• β: 81.62 ± 0.03°
• γ: 76.01 ± 0.03°
• Cell volume: 845.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes