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Information card for entry 1518790
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Coordinates | 1518790.cif |
---|
Formula | C42 H58 Cl2 N3 O P2 Re2 S6 |
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Calculated formula | C42 H58 Cl2 N3 O P2 Re2 S6 |
SMILES | [Re]12345([Re]6([Cl]1)([Cl]2)([S]=C(S3)N(CC)CC)([S]=C(S6)N(CC)CC)[P](C[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[S]=C(S4)N(CC)CC.OCC |
Title of publication | Synthesis, structure and spectral properties of dithiocarbamato bridged dirhenium(III,II) complexes: A combined experimental and theoretical study |
Authors of publication | Suman Malli; Mrinal Kanti Ghosha; Manoj Mohapatrab; Sudip Mohapatrac; Swarup Chattopadhyaya |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2015 |
Journal volume | 424 |
Pages of publication | 129 - 135 |
a | 11.441 ± 0.005 Å |
b | 12.816 ± 0.006 Å |
c | 19.954 ± 0.009 Å |
α | 94.244 ± 0.006° |
β | 105.724 ± 0.005° |
γ | 116.293 ± 0.005° |
Cell volume | 2460.3 ± 1.9 Å3 |
Cell temperature | 220 ± 2 K |
Ambient diffraction temperature | 220 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0448 |
Residual factor for significantly intense reflections | 0.0321 |
Weighted residual factors for significantly intense reflections | 0.079 |
Weighted residual factors for all reflections included in the refinement | 0.104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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