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Information card for entry 4080853
Preview
Coordinates | 4080853.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1691 [Mo(PNPMe-iPr)(CO)3H]BF4.CH2Cl2 (7d.CH2Cl2) |
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Chemical name | [Mo(PNPMe-iPr)(CO)3H]BF4.CH2Cl2 (7d.CH2Cl2) |
Formula | C23 H40 B Cl2 F4 Mo N3 O3 P2 |
Calculated formula | C23 H40 B Cl2 F4 Mo N3 O3 P2 |
SMILES | [MoH]12([P](N(c3[n]2c(N([P]1(C(C)C)C(C)C)C)ccc3)C)(C(C)C)C(C)C)(C#[O])(C#[O])C#[O].[B](F)(F)(F)[F-].C(Cl)Cl |
Title of publication | Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes. |
Authors of publication | Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 10 |
Pages of publication | 3042 - 3052 |
a | 8.4324 ± 0.0003 Å |
b | 23.4895 ± 0.0007 Å |
c | 16.2384 ± 0.0005 Å |
α | 90° |
β | 104.815 ± 0.002° |
γ | 90° |
Cell volume | 3109.46 ± 0.18 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 9 |
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 | 0.0253 |
Residual factor for significantly intense reflections | 0.0216 |
Weighted residual factors for significantly intense reflections | 0.0504 |
Weighted residual factors for all reflections included in the refinement | 0.0525 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4080853.html
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structural data.