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Information card for entry 7056480
Preview
Coordinates | 7056480.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H44 Mo N4 O2 P2 S4 |
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Calculated formula | C62 H44 Mo N4 O2 P2 S4 |
SMILES | C1(S[Mo]23(Oc4ccccc4O2)(SC(C#N)=C(S3)C#N)SC=1C#N)C#N.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study |
Authors of publication | Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit |
Journal of publication | New J. Chem. |
Year of publication | 2017 |
a | 30.763 ± 0.006 Å |
b | 12.851 ± 0.002 Å |
c | 14.243 ± 0.002 Å |
α | 90° |
β | 103.561 ± 0.007° |
γ | 90° |
Cell volume | 5473.8 ± 1.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0714 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.1068 |
Weighted residual factors for all reflections included in the refinement | 0.1218 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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