Information card for entry 2224343

Structure parameters

• Chemical name: Di-μ-chlorido-bis(chlorido{2,2'-[3-(1<i>H</i>-imidazol-4-ylmethyl)-3- azapentane-1,5-diyl]diphthalimide}copper(II))
• Formula: C48 H42 Cl4 Cu2 N10 O8
• Calculated formula: C48 H42 Cl4 Cu2 N10 O8
• SMILES: C1c2c[nH]c[n]2[Cu]2([N]1(CCN1C(=O)c3ccccc3C1=O)CCN1C(=O)c3ccccc3C1=O)(Cl)[Cl][Cu]1([N](Cc3c[nH]c[n]13)(CCN1C(=O)c3ccccc3C1=O)CCN1C(=O)c3ccccc3C1=O)(Cl)[Cl]2
• Title of publication: Di-μ-chlorido-bis(chlorido{2,2'-[3-(1<i>H</i>-imidazol-4-ylmethyl)-3-azapentane-1,5-diyl]diphthalimide}copper(II))
• Authors of publication: Qi, Zhao-Peng; Wang, Ai-Dong; Zhang, Hui; Wang, Xi-Xi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1507 - m1508
• a: 8.4351 ± 0.0009 Å
• b: 14.6867 ± 0.0016 Å
• c: 20.1448 ± 0.0019 Å
• α: 90°
• β: 105.593 ± 0.004°
• γ: 90°
• Cell volume: 2403.8 ± 0.4 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: 0.0868
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes