Information card for entry 2237598

Structure parameters

• Chemical name: <i>cis</i>-Chlorido(methylamine)bis(propane-1,3-diamine)cobalt(III) dichloride monohydrate
• Formula: C7 H27 Cl3 Co N5 O
• Calculated formula: C7 H27 Cl3 Co N5 O
• SMILES: C1CC[NH2][Co]2([NH2]1)([NH2]CCC[NH2]2)([NH2]C)Cl.O.[Cl-].[Cl-]
• Title of publication: <i>cis</i>-Chlorido(methylamine)bis(propane-1,3-diamine)cobalt(III) dichloride monohydrate
• Authors of publication: Maheshwaran, Velusamy; Manjunathan, Munisamy; Anbalagan, Krishnamoorthy; Thiruselvam, Viswanathan; Ponnuswamy, Mondikalipudur Nanjappagounder
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m205 - m206
• a: 7.4752 ± 0.0006 Å
• b: 7.9065 ± 0.0006 Å
• c: 14.4663 ± 0.0013 Å
• α: 76.022 ± 0.006°
• β: 76.907 ± 0.007°
• γ: 73.779 ± 0.004°
• Cell volume: 784.96 ± 0.12 ų
• Cell temperature: 292 K
• Ambient diffraction temperature: 292 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes