Information card for entry 2016132

Structure parameters

• Common name: trans-Bis(3-aminoflavone-κ^2^<i>N</i>,<i>O</i>)bis(perchlorato-κ<i>O</i>) copper(II)
• Chemical name: trans-bis(3-amino-2-phenyl-4H-1-benzopyran-4-one- κ^2^N,O^4^)bis(perchlorato-κO)copper(II)
• Formula: C30 H22 Cl2 Cu N2 O12
• Calculated formula: C30 H22 Cl2 Cu N2 O12
• SMILES: [Cu]12([O]=C3C([NH2]1)=C(Oc1ccccc13)c1ccccc1)([O]=C3C([NH2]2)=C(Oc1ccccc13)c1ccccc1)(OCl(=O)(=O)=O)OCl(=O)(=O)=O
• Title of publication: <i>trans</i>-Bis(3-aminoflavone-κ^2^<i>N</i>,<i>O</i>)bis(perchlorato-κ<i>O</i>)copper(II), a new potential antitumour agent
• Authors of publication: Rybarczyk-Pirek, Agnieszka J.; Małecka, Magdalena; Glinka, Łukasz; Ochocki, Justyn
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m410 - m412
• a: 5.4957 ± 0.0006 Å
• b: 11.6909 ± 0.0014 Å
• c: 11.7435 ± 0.0014 Å
• α: 103.142 ± 0.01°
• β: 101.398 ± 0.009°
• γ: 98.332 ± 0.009°
• Cell volume: 705.88 ± 0.15 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes