Information card for entry 2223633

Structure parameters

• Chemical name: Chloridobis(ethane-1,2-diamine)(4-methylaniline)cobalt(III) dichloride monohydrate
• Formula: C11 H27 Cl3 Co N5 O
• Calculated formula: C11 H27 Cl3 Co N5 O
• SMILES: Cl[Co]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]c1ccc(cc1)C.[Cl-].[Cl-].O
• Title of publication: Chloridobis(ethane-1,2-diamine)(4-methylaniline)cobalt(III) dichloride monohydrate
• Authors of publication: Ravichandran, K.; Ramesh, P.; Mahalakshmi, C. Maharaja; Anbalagan, K.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1458 - m1459
• a: 7.3796 ± 0.0002 Å
• b: 10.8367 ± 0.0003 Å
• c: 12.1789 ± 0.0003 Å
• α: 75.201 ± 0.001°
• β: 74.671 ± 0.002°
• γ: 78.862 ± 0.001°
• Cell volume: 899.86 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0476
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes