Information card for entry 4311557

Structure parameters

• Chemical name: {2-bis(carboxymethyl)aminomethyl-6-(carboxymethyl) (hydroxycarbonylmethyl)aminomethyl-4-chlorophenoxy} triaquodicopper(II) trihydrate
• Formula: C16 H27 Cl Cu2 N2 O15
• Calculated formula: C16 H27 Cl Cu2 N2 O15
• Title of publication: Intra and Intermolecular Magnetic Interactions in a Series of Dinuclear Cu(II)/hxta Complexes {H5hxta =N,N'-(2-hydroxy-1,3-xylylene)-bis-(N-carboxymethylglycine)}: Correlation of Magnetic Properties with Geometry
• Authors of publication: Steve Laborda; Rodolphe Clérac; Christopher E. Anson; Annie K. Powell
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5931 - 5943
• a: 14.9546 ± 0.0014 Å
• b: 10.76 ± 0.0007 Å
• c: 15.2001 ± 0.0011 Å
• α: 90°
• β: 105.198 ± 0.01°
• γ: 90°
• Cell volume: 2360.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No