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Information card for entry 2241809
Preview
Coordinates | 2241809.cif |
---|---|
Structure factors | 2241809.hkl |
Original IUCr paper | HTML |
Common name | Tricarbonylchlorido{1-[(pyridin-2-ylmethylidene)amino]adamantane}rhenium(I) |
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Chemical name | Tricarbonylchlorido{1-[(pyridin-2-ylmethylidene)amino]tricyclo[3.3.1.1^3,7^]\ decane}rhenium(I) |
Formula | C19 H20 Cl N2 O3 Re |
Calculated formula | C19 H20 Cl N2 O3 Re |
SMILES | [Re]1(Cl)([N](C23CC4CC(C2)CC(C4)C3)=Cc2[n]1cccc2)(C#[O])(C#[O])C#[O] |
Title of publication | Synthesis and crystal structure of tricarbonylchlorido{1-[(pyridin-2-ylmethylidene)amino]adamantane}rhenium(I) |
Authors of publication | Jimenez, Jorge; Chakraborty, Indranil; Mascharak, Pradip |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2016 |
Journal volume | 72 |
Journal issue | 9 |
Pages of publication | 1276 - 1279 |
a | 6.955 ± 0.0006 Å |
b | 21.7483 ± 0.0019 Å |
c | 12.4482 ± 0.0011 Å |
α | 90° |
β | 94.509 ± 0.001° |
γ | 90° |
Cell volume | 1877.1 ± 0.3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 6 |
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 | 0.031 |
Residual factor for significantly intense reflections | 0.0232 |
Weighted residual factors for significantly intense reflections | 0.0476 |
Weighted residual factors for all reflections included in the refinement | 0.0501 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2241809.html
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