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Information card for entry 7055092
Preview
Coordinates | 7055092.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H32 Cl6 Mo2 N10 O10 S4 |
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Calculated formula | C42 H32 Cl6 Mo2 N10 O10 S4 |
Title of publication | Supramolecular frameworks of binuclear dioxomolybdenum(vi) complexes with ONS donor ligands using 4,4′-azopyridine as a pillar: crystal structure, DFT calculations and biological study |
Authors of publication | Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Mitra, Payel; Acharya, Krishnendu; Biswas, Sujan; Mondal, Tapan Kumar |
Journal of publication | New J. Chem. |
Year of publication | 2015 |
Journal volume | 39 |
Journal issue | 11 |
Pages of publication | 8681 |
a | 10.9255 ± 0.0007 Å |
b | 10.9637 ± 0.0007 Å |
c | 13.2353 ± 0.0008 Å |
α | 67.269 ± 0.006° |
β | 69.255 ± 0.005° |
γ | 67.937 ± 0.006° |
Cell volume | 1314 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0822 |
Residual factor for significantly intense reflections | 0.059 |
Weighted residual factors for significantly intense reflections | 0.1243 |
Weighted residual factors for all reflections included in the refinement | 0.1387 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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