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Information card for entry 7010503
Preview
Coordinates | 7010503.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H44 B Cl2 F4 Mo N3 |
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Calculated formula | C38 H44 B Cl2 F4 Mo N3 |
SMILES | [Mo]12345(C#[N]c6c(cccc6C)C)(C#[N]c6c(cccc6C)C)([N](=C1CCl)c1c(cccc1C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)Cl.[B](F)(F)(F)[F-] |
Title of publication | Molybdenum-based alkyne‒isocyanide coupling reactions: synthesis of a reactive diiminometallacyclopentene complex |
Authors of publication | Adams, Christopher J.; Anderson, Kirsty M.; Bartlett, Ian M.; Connelly, Neil G.; Orpen, A. Guy; Paget, Timothy J.; Phetmung, Hirihattaya; Smith, David W. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2001 |
Journal issue | 8 |
Pages of publication | 1284 |
a | 15.989 ± 0.005 Å |
b | 15.553 ± 0.005 Å |
c | 16.489 ± 0.005 Å |
α | 90° |
β | 113.917 ± 0.014° |
γ | 90° |
Cell volume | 3748 ± 2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1248 |
Residual factor for significantly intense reflections | 0.0566 |
Weighted residual factors for significantly intense reflections | 0.1025 |
Weighted residual factors for all reflections included in the refinement | 0.1279 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/7010503.html
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