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Information card for entry 4326802
Preview
Coordinates | 4326802.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H39 Fe2 Mo2 O7 P S |
---|---|
Calculated formula | C35 H39 Fe2 Mo2 O7 P S |
SMILES | [Mo]123456([Fe]7([Fe]1(P1[Mo]89%10%11%12%13%14%15%16([cH]%17[cH]%11[cH]%10[cH]9[cH]8%17)[c]81[c]%12([cH]%13[c]%14([cH]%15[c]%168C(C)(C)C)C(C)(C)C)C(C)(C)C)([S]27)(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61 |
Title of publication | A Thiophosphinidene Complex as a Vehicle in Phosphinidene Transmetalation: Easy Formation and Cleavage of a P-S Bond |
Authors of publication | Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Miguel A. Ruiz |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 10561 - 10563 |
a | 10.5384 ± 0.0007 Å |
b | 19.874 ± 0.0011 Å |
c | 20.0473 ± 0.0013 Å |
α | 90° |
β | 119.116 ± 0.004° |
γ | 90° |
Cell volume | 3668.1 ± 0.4 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 7 |
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 | 0.0579 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1091 |
Weighted residual factors for all reflections included in the refinement | 0.1187 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation probe | x-ray |
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/4326802.html
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Users of the data should acknowledge the original authors of the
structural data.