Information card for entry 4301279

Structure parameters

• Formula: C36 H28 Cu Fe2 N6 O6
• Calculated formula: C36 H28 Cu Fe2 N6 O6
• SMILES: [Cu]([n]1cccc2c1nc([c]13[Fe]456789%10([cH]([cH]7[cH]14)[cH]3%10)[cH]1[cH]8[cH]9[cH]5[cH]61)cc2)([n]1cccc2ccc(nc12)[c]12[cH]3[Fe]4567891([cH]3[cH]7[cH]28)[cH]1[cH]6[cH]4[cH]5[cH]91)(ON(=O)=O)ON(=O)=O
• Title of publication: Mixed-Metal Assemblies Involving Ferrocene-Naphthyridine Hybrids
• Authors of publication: Nabanita Sadhukhan; Jitendra K. Bera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 978 - 990
• a: 12.4048 ± 0.0008 Å
• b: 16.6158 ± 0.001 Å
• c: 15.8849 ± 0.001 Å
• α: 90°
• β: 95.666 ± 0.001°
• γ: 90°
• Cell volume: 3258.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No