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Information card for entry 7000148
Preview
Coordinates | 7000148.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H39 B10 N2 O Re |
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Calculated formula | C21 H39 B10 N2 O Re |
SMILES | [Re]123456([C]789([BH]%10%111[BH]1%127[BH]7%138[BH]829[BH]29%13[BH]%13%127[BH]7%111[BH]13%10[BH]482[BH]9%1371)[NH]5C(C)(C)C)(C#[O])(C=C6C(C)(C)C)C#[N]c1c(C)cccc1C |
Title of publication | Alkyne coupling at a rhenium-monocarborane substrate: synthesis of Re,B-eta2:sigma-butadienyl complexes. |
Authors of publication | Du, Shaowu; Kautz, Jason A.; McGrath, Thomas D.; Stone, F Gordon A |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2005 |
Journal issue | 22 |
Pages of publication | 3672 - 3680 |
a | 10.6011 ± 0.0009 Å |
b | 11.5856 ± 0.001 Å |
c | 22.6485 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2781.7 ± 0.4 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0474 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for significantly intense reflections | 0.1085 |
Weighted residual factors for all reflections included in the refinement | 0.1103 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
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/7000148.html
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