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Information card for entry 7040600
Preview
Coordinates | 7040600.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H38 Cl4 Mo4 O12 |
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Calculated formula | C12 H38 Cl4 Mo4 O12 |
SMILES | C[O]1[Mo]234(OC)(OC)([O](C)[Mo]56783([O]2(C)[Mo]23148([O](C)[Mo]73(OC)(OC)([O]5C)([O]62C)Cl)([OH]C)Cl)([OH]C)Cl)Cl |
Title of publication | Tri-, tetra-, and hexanuclear mixed-valence molybdenum clusters: structural diversity and catalysis of acetylene hydrogenation. |
Authors of publication | Kuznetsov, Denis A.; Bazhenova, Tamara A.; Fedyanin, Ivan V.; Martynenko, Vyacheslav M.; Shestakov, Alexander F.; Petrova, Galina N.; Komarova, Natal'ya S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 41 |
Pages of publication | 16309 - 16316 |
a | 8.7762 ± 0.0003 Å |
b | 8.8015 ± 0.0003 Å |
c | 9.9874 ± 0.0004 Å |
α | 68.8208 ± 0.0018° |
β | 89.0869 ± 0.0019° |
γ | 72.587 ± 0.002° |
Cell volume | 682.7 ± 0.04 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.042 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.0966 |
Weighted residual factors for all reflections included in the refinement | 0.0979 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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