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Information card for entry 7716795
Preview
Coordinates | 7716795.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H50 Cu2 N2 O14 |
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Calculated formula | C30 H50 Cu2 N2 O14 |
Title of publication | Synthesis, structural characterization, DFT and molecular dynamics simulations of dinuclear (μ-hydroxo)-bridged triethanolamine copper(II) complexes: efficient candidates towards visible light-mediated photo-Fenton degradation of organic dyes. |
Authors of publication | Chauhan, Chetan; Tanuj, ?; Kumar, Rajesh; Kumar, Jitendra; Sharma, Subhash; Benmansour, Samia; Kumar, Santosh |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2024 |
Journal volume | 53 |
Journal issue | 32 |
Pages of publication | 13638 - 13661 |
a | 9.1604 ± 0.0003 Å |
b | 12.2855 ± 0.0004 Å |
c | 15.6941 ± 0.0006 Å |
α | 85.818 ± 0.003° |
β | 75.31 ± 0.003° |
γ | 88.591 ± 0.002° |
Cell volume | 1703.9 ± 0.1 Å3 |
Cell temperature | 120 ± 0.1 K |
Ambient diffraction temperature | 120 ± 0.1 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 | 0.071 |
Residual factor for significantly intense reflections | 0.0616 |
Weighted residual factors for significantly intense reflections | 0.1664 |
Weighted residual factors for all reflections included in the refinement | 0.1769 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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