Information card for entry 4324631

Structure parameters

• Formula: C39 H48 Cl3 Fe N10 O P
• Calculated formula: C39 H48 Cl3 Fe N10 O P
• SMILES: [Fe]12345678([c]9([c]1([c]2([c]3([c]49c1cnn(c1)C)c1cnn(c1)C)c1cnn(c1)C)c1cnn(c1)C)c1cnn(c1)C)[c]1([cH]5[cH]6[cH]7[cH]81)P(=O)(C(C)(C)C)C(C)(C)C.C(Cl)(Cl)Cl
• Title of publication: Pentasubstituted Ferrocene and Dirhodium(II) Tetracarboxylate as Building Blocks for Discrete Fullerene-Like and Extended Supramolecular Structures
• Authors of publication: Lok H. Tong; Laure Guénée; Alan F. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2450 - 2457
• a: 9.0221 ± 0.0008 Å
• b: 10.469 ± 0.0009 Å
• c: 22.543 ± 0.002 Å
• α: 94.647 ± 0.011°
• β: 98.548 ± 0.011°
• γ: 96.76 ± 0.011°
• Cell volume: 2080.4 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0941
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No