Information card for entry 2224514

Structure parameters

• Chemical name: Bis(2-aminobenzonitrile)tetraaquacobalt(II) dichloride
• Formula: C14 H20 Cl2 Co N4 O4
• Calculated formula: C14 H20 Cl2 Co N4 O4
• SMILES: C(c1c(cccc1)N)#[N][Co]([N]#Cc1c(cccc1)N)([OH2])([OH2])([OH2])[OH2].[Cl-].[Cl-]
• Title of publication: Bis(2-aminobenzonitrile)tetraaquacobalt(II) dichloride
• Authors of publication: Ru, Zong-Ling; Wang, Guo-Xi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1688
• a: 12.492 ± 0.003 Å
• b: 6.5864 ± 0.0013 Å
• c: 12.608 ± 0.003 Å
• α: 90°
• β: 109.24 ± 0.03°
• γ: 90°
• Cell volume: 979.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes