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Information card for entry 7044225
Preview
Coordinates | 7044225.cif |
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Original paper (by DOI) | HTML |
Common name | [W(allyl)(triazolateCOOCH3,COOCH3)(bpy)(CO)2] |
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Formula | C21 H19 N5 O6 W |
Calculated formula | C21 H19 N5 O6 W |
SMILES | [W]123(C#[O])(C#[O])(n4nc(c(n4)C(=O)OC)C(=O)OC)([n]4ccccc4c4[n]1cccc4)[CH2]=[CH]2C3 |
Title of publication | Catalyst-free room-temperature iClick reaction of molybdenum(II) and tungsten(II) azide complexes with electron-poor alkynes: Structural preferences and kinetic studies |
Authors of publication | Schmid, Paul; Maier, Matthias; Pfeiffer, Hendrik; Belz, Anja; Henry, Lucas; Friedrich, Alexandra; Schönfeld, Fabian; Edkins, Katharina; Schatzschneider, Ulrich |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 11.697 ± 0.006 Å |
b | 9.262 ± 0.006 Å |
c | 19.887 ± 0.011 Å |
α | 90° |
β | 103.39 ± 0.02° |
γ | 90° |
Cell volume | 2096 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0299 |
Residual factor for significantly intense reflections | 0.0227 |
Weighted residual factors for significantly intense reflections | 0.0487 |
Weighted residual factors for all reflections included in the refinement | 0.0511 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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200875 (current) | 2017-09-14 | cif/ Adding structures of 7044220, 7044221, 7044222, 7044223, 7044224, 7044225 via cif-deposit CGI script. |
7044225.cif |
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Users of the data should acknowledge the original authors of the
structural data.