Information card for entry 2203789

Structure parameters

• Formula: C52 H64 Co N10 O10
• Calculated formula: C52 H64 Co N10 O10
• SMILES: c1(ccc(cc1)Cc1ccc(N)cc1)[NH2][Co]([NH2]c1ccc(cc1)Cc1ccc(N)cc1)([NH2]c1ccc(cc1)Cc1ccc(N)cc1)([NH2]c1ccc(cc1)Cc1ccc(N)cc1)([OH2])[OH2].N(=O)(=O)[O-].O.N(=O)(=O)[O-].O
• Title of publication: <i>trans</i>-Diaquatetrakis(4,4'-methylenediphenylamine-κ<i>N</i>)cobalt(II) dinitrate dihydrate
• Authors of publication: Nordell, Karen J.; Schultz, Kristin N.; Smith, Mark D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m857 - m858
• a: 9.2265 ± 0.0005 Å
• b: 11.6587 ± 0.0006 Å
• c: 11.9719 ± 0.0007 Å
• α: 80.92 ± 0.001°
• β: 87.804 ± 0.001°
• γ: 89.488 ± 0.001°
• Cell volume: 1270.73 ± 0.12 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: 0.0521
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes