Information card for entry 1519538

Structure parameters

• Formula: C24 H24 Cl2 Cu2 N10 O12
• Calculated formula: C24 H24 Cl2 Cu2 N10 O12
• SMILES: [Cu]123(n4[n]5[Cu]6([OH2])([n]7ccccc7c7n6[n]2c(n7)c2[n]3cccc2)[n]2c(c5nc4c3[n]1cccc3)cccc2)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: C24H24Cl2Cu2N10O12
• Authors of publication: Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2003
• Pages of publication: 986
• a: 9.3024 ± 0.0005 Å
• b: 9.7983 ± 0.0006 Å
• c: 10.0972 ± 0.0006 Å
• α: 110.719 ± 0.002°
• β: 109.62 ± 0.002°
• γ: 102.964 ± 0.002°
• Cell volume: 746.81 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0841
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No