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Information card for entry 7048105
Preview
Coordinates | 7048105.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H36 Cl2 Co3 I2 N12 |
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Calculated formula | C42 H36 Cl2 Co3 I2 N12 |
Title of publication | Temperature dependence of the spin state and geometry in tricobalt paddlewheel complexes with halide axial ligands. |
Authors of publication | Srinivasan, Anandi; Wang, Xiaoping; Clérac, Rodolphe; Rouzières, Mathieu; Falvello, Larry R.; McGrady, John E.; Hillard, Elizabeth A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 46 |
Pages of publication | 16798 - 16806 |
a | 13.0572 ± 0.0005 Å |
b | 11.4574 ± 0.0004 Å |
c | 14.2468 ± 0.0005 Å |
α | 90° |
β | 94.467 ± 0.002° |
γ | 90° |
Cell volume | 2124.87 ± 0.13 Å3 |
Cell temperature | 85 ± 2 K |
Ambient diffraction temperature | 85 ± 2 K |
Number of distinct elements | 6 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.026 |
Residual factor for significantly intense reflections | 0.0211 |
Weighted residual factors for significantly intense reflections | 0.0486 |
Weighted residual factors for all reflections included in the refinement | 0.0506 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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