Information card for entry 1519734

Structure parameters

• Formula: C68 H52 Cl6 Cr2 N24 O30 Zn2
• Calculated formula: C68 H48 Cl6 Cr2 N24 O30 Zn2
• SMILES: [Zn]12([O]3[Cr]456([O]7[Zn]89%10([O]%11[Cr]%12([n]%13ccccc%13c%13[n]%12c(ccc%13)C%11=N[N]9=C(N)c9[n]%10cccc9)[n]9ccccc9)[N](N=C7c7[n]4c(c4[n]5cccc4)ccc7)=C(N)c4[n]8cccc4)[n]4c(cccc4C3=N[N]1=C(N)c1[n]2cccc1)c1[n]6cccc1)[n]1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: C68H52Cl6Cr2N24O30Zn2
• 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: 978
• a: 14.146 ± 0.005 Å
• b: 15.602 ± 0.005 Å
• c: 20.484 ± 0.005 Å
• α: 81.484 ± 0.005°
• β: 71.672 ± 0.005°
• γ: 71.901 ± 0.005°
• Cell volume: 4073 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.189
• Residual factor for significantly intense reflections: 0.1425
• Weighted residual factors for significantly intense reflections: 0.4083
• Weighted residual factors for all reflections included in the refinement: 0.4307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.606
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No