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Information card for entry 4312493
Preview
Coordinates | 4312493.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H18 Br N4 O4 Re |
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Calculated formula | C15 H18 Br N4 O4 Re |
SMILES | [Re]1(Br)(C#[O])(C#[O])(C#[O])[n]2cccn2C(C)(C)n2ccc[n]12.C(=O)(C)C |
Title of publication | Synthesis and Properties of Rhenium Carbonyl Complexes of α,α'-Bis[(1-pyrenyl)pyrazol-1-yl]alkane Ligands |
Authors of publication | Daniel L. Reger; James R. Gardinier; Perry J. Pellechia; Mark D. Smith; Kenneth J. Brown |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 7635 - 7643 |
a | 8.5333 ± 0.0005 Å |
b | 9.948 ± 0.0005 Å |
c | 11.3607 ± 0.0006 Å |
α | 84.232 ± 0.001° |
β | 81.634 ± 0.001° |
γ | 83.35 ± 0.001° |
Cell volume | 944.28 ± 0.09 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0209 |
Residual factor for significantly intense reflections | 0.0196 |
Weighted residual factors for significantly intense reflections | 0.0461 |
Weighted residual factors for all reflections included in the refinement | 0.0466 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4312493.html
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