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Information card for entry 7020679
Preview
Coordinates | 7020679.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H42 P2 Pt S8 |
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Calculated formula | C48 H42 P2 Pt S8 |
SMILES | [Pt]1([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)(C#CC1=C(SC(=C2SC(=C(S2)C)C)S1)C)C#CC1=C(SC(S1)=C1SC(=C(S1)C)C)C |
Title of publication | Cis and trans-bis(tetrathiafulvalene-acetylide) platinum(II) complexes: syntheses, crystal structures, and influence of the ancillary ligands on their electronic properties. |
Authors of publication | Vacher, Antoine; Barrière, Frédéric; Camerel, Franck; Bergamini, Jean-François; Roisnel, Thierry; Lorcy, Dominique |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 2 |
Pages of publication | 383 - 394 |
a | 12.5211 ± 0.0004 Å |
b | 23.704 ± 0.0008 Å |
c | 33.0267 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9802.3 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0621 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.0905 |
Weighted residual factors for all reflections included in the refinement | 0.0959 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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