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Information card for entry 4319157
Preview
Coordinates | 4319157.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H48 Cl6 N4 O2 P2 Re2 |
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Calculated formula | C52 H48 Cl6 N4 O2 P2 Re2 |
SMILES | c1c[n]2[Re]([O]=P(c3ccccc3)(c3ccccc3)CCP(=[O][Re]3([n]4c(cccc4)C=[N]3c3ccc(cc3)C)(Cl)(Cl)Cl)(c3ccccc3)c3ccccc3)(Cl)(Cl)(Cl)[N](=Cc2cc1)c1ccc(cc1)C |
Title of publication | Oxygen Atom Transfer from Nitrogenous ReVO Reagents to Diphosphines and Subsequent Transformations. Rhenium(III) Products and Reaction Models |
Authors of publication | Sibaprasad Bhattacharyya; Indranil Chakraborty; Bimal Kumar Dirghangi; Animesh Chakravorty |
Journal of publication | Inorganic Chemistry |
Year of publication | 2001 |
Journal volume | 40 |
Pages of publication | 286 - 293 |
a | 19.767 ± 0.012 Å |
b | 12.868 ± 0.006 Å |
c | 22.205 ± 0.017 Å |
α | 90° |
β | 101.76 ± 0.06° |
γ | 90° |
Cell volume | 5530 ± 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 | 0.1416 |
Residual factor for significantly intense reflections | 0.0635 |
Weighted residual factors for all reflections | 0.1392 |
Weighted residual factors for significantly intense reflections | 0.1112 |
Goodness-of-fit parameter for all reflections | 1.032 |
Goodness-of-fit parameter for significantly intense reflections | 1.112 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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