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Information card for entry 7010501
Preview
Coordinates | 7010501.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H59 B F4 Mo N4 O |
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Calculated formula | C50 H59 B F4 Mo N4 O |
SMILES | [Mo]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[N]c1c(C)cccc1C)(C#[N]c1c(C)cccc1C)(C#[N]c1c(C)cccc1C)C#[N]c1c(C)cccc1C.[B](F)(F)(F)[F-].C1CCOC1 |
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 | 17.409 ± 0.009 Å |
b | 13.762 ± 0.004 Å |
c | 20.048 ± 0.006 Å |
α | 90° |
β | 99.402 ± 0.018° |
γ | 90° |
Cell volume | 4739 ± 3 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.2035 |
Residual factor for significantly intense reflections | 0.0719 |
Weighted residual factors for significantly intense reflections | 0.1151 |
Weighted residual factors for all reflections included in the refinement | 0.158 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
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/7010501.html
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Users of the data should acknowledge the original authors of the
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