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Information card for entry 4300063
Preview
Coordinates | 4300063.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H40 Br6 Mo3 N2 S7 |
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Calculated formula | C16 H40 Br6 Mo3 N2 S7 |
SMILES | [Mo]123456([Mo]789%10([Mo]%11%121(Br)(Br)([S]27)([S]9[S]%10%11)[S]5[S]6%12)(Br)(Br)[S]3[S]48)(Br)Br.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC |
Title of publication | Reactivity of the [Mo3(μ3-S)(μ2-S2)3Br6]2- Anion toward the Imidodiphosphinochalcogenido Ligands [N(QPPh2)2]- (Q = S, Se): Synthesis and Characterization of [Mo3(μ3-S)(μ2-S2)3{N(QPPh2)2}3]Br |
Authors of publication | Virginie Béreau; Christopher G. Pernin; James A. Ibers |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 854 - 856 |
a | 18.928 ± 0.013 Å |
b | 12.769 ± 0.009 Å |
c | 29.5 ± 0.02 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7130 ± 9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0706 |
Residual factor for significantly intense reflections | 0.0344 |
Weighted residual factors for significantly intense reflections | 0.0689 |
Weighted residual factors for all reflections included in the refinement | 0.0769 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.819 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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