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Information card for entry 4324631
Preview
Coordinates | 4324631.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H48 Cl3 Fe N10 O P |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/4324631.html
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