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Information card for entry 4115140
Preview
Coordinates | 4115140.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Me4C2Cp2Cr(CO)(H)B(C6F5)3 |
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Formula | C42 H28 B Cr F15 O |
Calculated formula | C42 H28 B Cr F15 O |
SMILES | [CrH]123456789([cH]%10[c]4([cH]3[cH]2[c]1%10[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C(C([c]15[cH]6[cH]7[cH]8[cH]91)(C)C)(C)C)C#[O].Cc1ccccc1 |
Title of publication | Zwitterionic Ring-Borylatedansa-Chromocene Complexes |
Authors of publication | Piet-Jan Sinnema; Pamela J. Shapiro; David Min Jin Foo; Brendan Twamley |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 10996 - 10997 |
a | 11.078 ± 0.0011 Å |
b | 12.1571 ± 0.0012 Å |
c | 16.0434 ± 0.0016 Å |
α | 106.75 ± 0.01° |
β | 101.15 ± 0.01° |
γ | 108.26 ± 0.01° |
Cell volume | 1866.8 ± 0.4 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 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 | 0.0837 |
Residual factor for significantly intense reflections | 0.0671 |
Weighted residual factors for significantly intense reflections | 0.1259 |
Weighted residual factors for all reflections included in the refinement | 0.1317 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.227 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4115140.html
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Users of the data should acknowledge the original authors of the
structural data.