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Information card for entry 4335300
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4335300.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H26 B F24 N2 O3 Re S |
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Calculated formula | C47 H26 B F24 N2 O3 Re S |
SMILES | [Re]1([n]2c(c3[n]1cccc3)cccc2)([S](C)C)(C#[O])(C#[O])C#[O].c1c(C(F)(F)F)cc(cc1[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)C(F)(F)F |
Title of publication | Intramolecular Nucleophilic Addition to the 2 Position of Coordinated 2,2'-Bipyridine by a Deprotonated Dimethyl Sulfide Ligand |
Authors of publication | Rebeca Arévalo; Julio Pérez; Lucía Riera |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 6785 - 6787 |
a | 16.4783 ± 0.0002 Å |
b | 18.237 ± 0.0003 Å |
c | 16.6378 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4999.9 ± 0.14 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 8 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n 21 a |
Hall space group symbol | P -2ac -2n |
Residual factor for all reflections | 0.0436 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.1107 |
Weighted residual factors for all reflections included in the refinement | 0.1143 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4335300.html
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Users of the data should acknowledge the original authors of the
structural data.