Information card for entry 2012832

Structure parameters

• Chemical name: Ethylenediammonium bis{bis[N-(2-aminoethyl)glycinato-κ^3^N,N',O]chromium(III)} tetrachloride dihydrate
• Formula: C18 H50 Cl4 Cr2 N10 O10
• Calculated formula: C18 H50 Cl4 Cr2 N10 O10
• SMILES: C1C(=O)O[Cr]234([NH]1CC[NH2]2)[NH](CC(=O)O4)CC[NH2]3.C([NH3+])C[NH3+].O.[Cl-].[Cl-].C1C(=O)O[Cr]234([NH]1CC[NH2]2)[NH](CC(=O)O4)CC[NH2]3.O.[Cl-].[Cl-]
• Title of publication: Ethylenediammonium bis{bis[<i>N</i>-(2-aminoethyl)glycinato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]chromium(III)} tetrachloride dihydrate at 293 and 100 K
• Authors of publication: Choi, Jong-Ha; Suzuki, Takayoshi; Subhan, Md. Abdus; Kaizaki, Sumio; Park, Yu Chul
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m409 - m412
• a: 12.5921 ± 0.0003 Å
• b: 7.5227 ± 0.0001 Å
• c: 18.2511 ± 0.0004 Å
• α: 90°
• β: 95.915 ± 0.001°
• γ: 90°
• Cell volume: 1719.66 ± 0.06 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: 0.031
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No