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Information card for entry 4108576
Preview
Coordinates | 4108576.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C91 H64 F19.5 N6.5 O8 P7.25 Re3 |
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Calculated formula | C91 H64 F19.5 N6.5 O8 P7.25 Re3 |
SMILES | [P](F)(F)(F)(F)(F)[F-].c1cccc2c3cccc[n]3[Re](C#[O])([P](c3ccccc3)(c3ccccc3)C#C[P]([Re]3([P](c4ccccc4)(c4ccccc4)C#C[P]([Re]4(C#[O])(C#[O])(C#[O])[n]5c(c6cccc[n]46)cccc5)(c4ccccc4)c4ccccc4)(C#[O])(C#[O])[n]4ccccc4c4cccc[n]34)(c3ccccc3)c3ccccc3)(C#[O])(C#[O])[n]12.CC#N.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Systematic Synthesis, Isolation, and Photophysical Properties of Linear-Shaped Re(I) Oligomers and Polymers with 2-20 Units |
Authors of publication | Youhei Yamamoto; Shuhei Sawa; Yusuke Funada; Tatsuki Morimoto; Magnus Falkenström; Hiroshi Miyasaka; Sayaka Shishido; Tomoji Ozeki; Kazuhide Koike; Osamu Ishitani |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 14659 - 14674 |
a | 24.9802 ± 0.0001 Å |
b | 24.9802 ± 0.0001 Å |
c | 30.8551 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 19253.9 ± 0.17 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 87 |
Hermann-Mauguin space group symbol | I 4/m |
Hall space group symbol | -I 4 |
Residual factor for all reflections | 0.0539 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.1562 |
Weighted residual factors for all reflections included in the refinement | 0.1598 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
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/4108576.html
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