Information card for entry 1519583

Structure parameters

• Formula: C24 H28 Cl3 N12 O16 Zn2
• Calculated formula: C24 H28 Cl3 N12 O16 Zn2
• SMILES: c1cccc2C(N)=[N]3[N]4=C(c5cccc6c7cccc8C(N)=[N]9N=C%10c%11cccc[n]%11[Zn]3([n]12)(N%10[Zn]49([n]56)([n]78)([OH2])[OH2])[OH2])N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O
• Title of publication: C24H28Cl3N12O16Zn2
• Authors of publication: Matthews, Craig J.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2004
• Pages of publication: 1066
• a: 20.502 ± 0.004 Å
• b: 11.575 ± 0.002 Å
• c: 15.431 ± 0.003 Å
• α: 90°
• β: 107.67 ± 0.02°
• γ: 90°
• Cell volume: 3489.2 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.113
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.1963
• Weighted residual factors for all reflections included in the refinement: 0.2127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No