Information card for entry 2014747

Structure parameters

• Chemical name: [μ-N,N'-Bis(2-aminoethyl)oxamidato(2-)]bis[(4,5-diazafluoren-9-one)perchloratocopper(II)] 4,5-diazafluoren-9-one disolvate
• Formula: C50 H36 Cl2 Cu2 N12 O14
• Calculated formula: C50 H36 Cl2 Cu2 N12 O14
• SMILES: c12c(ccc[n]1[Cu]13[N](CC[NH2]1)=C1C(=[N]4[Cu](O1)([n]1c5c(ccc1)C(=O)c1cccnc51)[NH2]CC4)O3)C(=O)c1c2nccc1.Cl(=O)(=O)(=O)[O-].n1c2c(ccc1)C(=O)c1c2nccc1.Cl(=O)(=O)(=O)[O-].n1c2c(ccc1)C(=O)c1cccnc21
• Title of publication: [μ-<i>N</i>,<i>N</i>'-Bis(2-aminoethyl)oxamidato(2–)]bis[(4,5-diazafluoren-9-one)perchloratocopper(II)] 4,5-diazafluoren-9-one disolvate
• Authors of publication: Li, Yan-Ping; Yang, Pin; Huang, Zi-Xiang; Xie, Fu-Xin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m7 - m9
• a: 26.5955 ± 0.0001 Å
• b: 11.4267 ± 0.0003 Å
• c: 16.5915 ± 0.0004 Å
• α: 90°
• β: 92.053 ± 0.001°
• γ: 90°
• Cell volume: 5038.9 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1004
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes