Information card for entry 4301278

Structure parameters

• Formula: C37 H30 Cl4 Fe3 N4
• Calculated formula: C37 H30 Cl4 Fe3 N4
• SMILES: [Fe](Cl)(Cl)([n]1c2c(ccc1)ccc([c]13[Fe]456789%10([cH]([cH]14)[cH]5[cH]36)[cH]1[cH]%10[cH]8[cH]9[cH]71)n2)[n]1c2nc([c]34[Fe]56789%10%11([cH]%12[cH]5[cH]%11[cH]%10[cH]8%12)[cH]([cH]49)[cH]7[cH]36)ccc2ccc1.ClCCl
• 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: 13.5633 ± 0.0009 Å
• b: 27.3844 ± 0.0017 Å
• c: 9.3426 ± 0.0006 Å
• α: 90°
• β: 103.396 ± 0.001°
• γ: 90°
• Cell volume: 3375.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No