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Information card for entry 7016583
Preview
Coordinates | 7016583.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C88 H80 Fe2 P4 S2 |
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Calculated formula | C88 H80 Fe2 P4 S2 |
SMILES | c1(ccc(c2ccc([Fe]34567([cH]8[cH]3[cH]4[cH]5[cH]68)[P](CC[P]7(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)s2)s1)[Fe]12345([cH]6[cH]1[cH]2[cH]3[cH]46)[P](CC[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1 |
Title of publication | Making organometallic molecular wires via oxidative ligand coupling. |
Authors of publication | Johno, Keita; Tanaka, Yuya; Koike, Takashi; Akita, Munetaka |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 32 |
Pages of publication | 8089 - 8091 |
a | 20.417 ± 0.002 Å |
b | 16.518 ± 0.004 Å |
c | 23.503 ± 0.004 Å |
α | 90° |
β | 113.439 ± 0.008° |
γ | 90° |
Cell volume | 7272 ± 2 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.167 |
Residual factor for significantly intense reflections | 0.0812 |
Weighted residual factors for significantly intense reflections | 0.1842 |
Weighted residual factors for all reflections included in the refinement | 0.2119 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
Diffraction radiation wavelength | 0.71073 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/7016583.html
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Users of the data should acknowledge the original authors of the
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