Information card for entry 1519222

Structure parameters

• Formula: C12 H28 Cl2 Co N2 O4
• Calculated formula: C12 H30 Cl2 Co N2 O4
• SMILES: [Co](Cl)(Cl)([NH2]CC(OCC)OCC)[NH2]CC(OCC)OCC
• Title of publication: C12H28Cl2CoN2O4
• Authors of publication: Kelly, Dave G.; Gelbrich, Thomas; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1999
• Pages of publication: 808
• a: 14.0554 ± 0.0004 Å
• b: 14.0554 ± 0.0004 Å
• c: 9.5929 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1895.12 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No