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Information card for entry 4313109
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Coordinates | 4313109.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Tetra-μ3-thio-tris[(methylcyclopentadienyl)molybdenum]- (triphenylarsine)nickel p-toluenesulfonate |
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Formula | C43 H43 As Mo3 Ni O3 S5 |
Calculated formula | C43 H43 As Mo3 Ni O3 S5 |
SMILES | [Mo]123456789([Mo]%10%11%12%13%14%15%16%17([Mo]%18%19%20%21%22%231([Ni]2%10([As](c1ccccc1)(c1ccccc1)c1ccccc1)([S]4%12)([S]5%18)[S]%13%19)([S]3%11)[c]1([cH]%20[cH]%21[cH]%22[cH]%231)C)[c]1([cH]%14[cH]%15[cH]%16[cH]%171)C)[c]1([cH]9[cH]8[cH]7[cH]61)C.S(=O)(=O)([O-])c1ccc(cc1)C |
Title of publication | A Complete Family of Isostructural Cluster Compounds with Cubane-like M3S4M' Cores (M = Mo, W; M' = Ni, Pd, Pt): Comparative Crystallography and Electrochemistry |
Authors of publication | Konrad Herbst; Piero Zanello; Maddalena Corsini; Nicola D'Amelio; Lutz Dahlenburg; Michael Brorson |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 974 - 981 |
a | 9.484 ± 0.001 Å |
b | 10.8772 ± 0.0006 Å |
c | 42.327 ± 0.004 Å |
α | 90° |
β | 92.1 ± 0.01° |
γ | 90° |
Cell volume | 4363.5 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.097 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for significantly intense reflections | 0.0737 |
Weighted residual factors for all reflections included in the refinement | 0.0885 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
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/4313109.html
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