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Information card for entry 7007127
Preview
Coordinates | 7007127.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H50 Cl2 Mn N2 P4 S4 |
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Calculated formula | C37 H50 Cl2 Mn N2 P4 S4 |
SMILES | [Mn]12([S]=P(N=P(S1)(C(C)C)C(C)C)(c1ccccc1)c1ccccc1)[S]=P(N=P(S2)(C(C)C)C(C)C)(c1ccccc1)c1ccccc1.C(Cl)Cl |
Title of publication | Structural, spectroscopic and magnetic properties of M[R2P(E)NP(E)R'2]2 complexes, M = Co, Mn, E = S, Se and R, R' = Ph or iPr. Covalency of M-S bonds from experimental data and theoretical calculations. |
Authors of publication | Maganas, Dimitrios; Staniland, Sarah S.; Grigoropoulos, Alexios; White, Fraser; Parsons, Simon; Robertson, Neil; Kyritsis, Panayotis; Pneumatikakis, Georgios |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 19 |
Pages of publication | 2301 - 2315 |
a | 9.9405 ± 0.0003 Å |
b | 10.2453 ± 0.0003 Å |
c | 11.2043 ± 0.0003 Å |
α | 96.56 ± 0.002° |
β | 101.49 ± 0.001° |
γ | 100.415 ± 0.001° |
Cell volume | 1086.35 ± 0.05 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0455 |
Residual factor for significantly intense reflections | 0.0421 |
Weighted residual factors for significantly intense reflections | 0.1012 |
Weighted residual factors for all reflections included in the refinement | 0.1035 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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