Information card for entry 8102050

Structure parameters

• Chemical name: 2-(μ-2-oxyphenyl)-1-(2-(μ-2-oxybenzyl)aminoethyl)-3-(2-(2-oxybenzyl)- bis(aminoethyl))imidazolidine-dicopper(II) nitrate trihydrate
• Formula: C29 H38 Cu2 N6 O9
• Calculated formula: C29 H38 Cu2 N6 O9
• Title of publication: Crystal structure of 2-(μ-2-oxyphenyl)-1-(2-(μ-2-oxy- benzyl)aminoethyl)-3-(2-(2-oxybenzyl)-bis(aminoethyl))-imidazolidine- dicopper(II) nitrate trihydrate, [Cu~2~(C~29~H~32~N~5~O~3~)][NO~3~] · 3H~2~O
• Authors of publication: Du, Q.-Y.; Wang, J.-G.; Qin, J.-H.; Ju, F.-Y.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 4
• Pages of publication: 489 - 491
• a: 21.9985 ± 0.0013 Å
• b: 18.2546 ± 0.0013 Å
• c: 18.3326 ± 0.0014 Å
• α: 90°
• β: 121.959 ± 0.001°
• γ: 90°
• Cell volume: 6246 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No