Information card for entry 2223295

Structure parameters

• Chemical name: (Benzylamine)chloridobis(ethane-1,2-diamine)cobalt(III) dichloride hemihydrate
• Formula: C11 H26 Cl3 Co N5 O0.5
• Calculated formula: C11 H26 Cl3 Co N5 O0.5
• SMILES: [Co]12(Cl)([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]Cc1ccccc1.[Cl-].[Cl-].O
• Title of publication: (Benzylamine)chloridobis(ethane-1,2-diamine)cobalt(III) dichloride hemihydrate
• Authors of publication: Ravichandran, K.; Ramesh, P.; Tamilselvan, M.; Anbalagan, K.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1174 - m1175
• a: 20.9361 ± 0.0009 Å
• b: 7.2447 ± 0.0003 Å
• c: 24.434 ± 0.0009 Å
• α: 90°
• β: 106.44 ± 0.002°
• γ: 90°
• Cell volume: 3554.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes