Information card for entry 4000323

Structure parameters

• Formula: C38 H31 Bi Cl2 N2 Ni O11
• Calculated formula: C38 H31 Bi Cl2 N2 Ni O11
• SMILES: c1ccc2c(c1)O[Ni]13[N](=C2)CC[N]3=Cc2c(O1)cccc2.C1(c2ccccc2O)=O[Bi]23(O1)(OC(=[O]2)c1ccccc1O)OC(=[O]3)c1ccccc1O.ClCCl
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• a: 10.663 ± 0.002 Å
• b: 19.361 ± 0.004 Å
• c: 19.245 ± 0.004 Å
• α: 90°
• β: 103.5 ± 0.03°
• γ: 90°
• Cell volume: 3863.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No