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Information card for entry 4300065
Preview
Coordinates | 4300065.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H60 Br Mo3 N3 P6 S7 Se6 |
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Calculated formula | C72 H60 Br Mo3 N3 P6 S7 Se6 |
SMILES | c1(ccccc1)P1(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=[Se][Mo]234567([S]8[S]2[Mo]29%10%1168([S]3[Mo]3687%10([S]2[S]93)([S]4[S]56)[Se]=P(c2ccccc2)(c2ccccc2)N=P(c2ccccc2)(c2ccccc2)[Se]8)[Se]=P(c2ccccc2)(c2ccccc2)N=P(c2ccccc2)(c2ccccc2)[Se]%11)[Se]1.[Br-] |
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 | 21.076 ± 0.003 Å |
b | 21.076 ± 0.003 Å |
c | 75.848 ± 0.015 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 29178 ± 8 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 8 |
Space group number | 167 |
Hermann-Mauguin space group symbol | R -3 c :H |
Hall space group symbol | -R 3 2"c |
Residual factor for all reflections | 0.1547 |
Residual factor for significantly intense reflections | 0.0927 |
Weighted residual factors for significantly intense reflections | 0.2145 |
Weighted residual factors for all reflections included in the refinement | 0.2402 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.327 |
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/4300065.html
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