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Information card for entry 7101157
Preview
Coordinates | 7101157.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H48 B F24 N6 O3 Re |
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Calculated formula | C56 H48 B F24 N6 O3 Re |
SMILES | [Re]([n]1[nH]c(cc1)C(C)(C)C)([n]1[nH]c(cc1)C(C)(C)C)([n]1[nH]c(cc1)C(C)(C)C)(C#[O])(C#[O])C#[O].[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
Title of publication | Cationic fac-tris(pyrazole) complexes as anion receptors. |
Authors of publication | Sonia Nieto; Julio Perez; Victor Riera; Daniel Miguel; Celedonio Alvarez |
Journal of publication | Chemical Communications |
Year of publication | 2005 |
Journal issue | 4 |
a | 10.819 ± 0.006 Å |
b | 15.76 ± 0.008 Å |
c | 19.839 ± 0.01 Å |
α | 74.846 ± 0.011° |
β | 76.806 ± 0.009° |
γ | 82.664 ± 0.01° |
Cell volume | 3170 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0568 |
Residual factor for significantly intense reflections | 0.0408 |
Weighted residual factors for significantly intense reflections | 0.0904 |
Weighted residual factors for all reflections included in the refinement | 0.1009 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/7101157.html
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Users of the data should acknowledge the original authors of the
structural data.