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Information card for entry 7039967
Preview
Coordinates | 7039967.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H37 I2 N3 O2 P2 W |
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Calculated formula | C21 H37 I2 N3 O2 P2 W |
SMILES | [W]12(I)(I)([n]3c(N([P]1(C(C)C)C(C)C)C)cccc3N([P]2(C(C)C)C(C)C)C)(C#[O])C#[O] |
Title of publication | Structural diversity of halocarbonyl molybdenum and tungsten PNP pincer complexes through ligand modifications. |
Authors of publication | Aguiar, Sara R M M de; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 35 |
Pages of publication | 13834 - 13845 |
a | 22.2679 ± 0.0006 Å |
b | 15.9254 ± 0.0005 Å |
c | 15.3571 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5446 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 7 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0402 |
Residual factor for significantly intense reflections | 0.0261 |
Weighted residual factors for significantly intense reflections | 0.0284 |
Weighted residual factors for all reflections included in the refinement | 0.0307 |
Goodness-of-fit parameter for significantly intense reflections | 1.44 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.37 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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