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Information card for entry 7011205
Preview
Coordinates | 7011205.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H56 Cu2 Mo N4 P4 S4 |
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Calculated formula | C68 H56 Cu2 Mo N4 P4 S4 |
SMILES | c1(ccccn1)[P](c1ccccc1)(c1ccccc1)[Cu]12([Mo]34(S1)(S2)S[Cu]4([P](c1ccccn1)(c1ccccc1)c1ccccc1)([P](c1ccccn1)(c1ccccc1)c1ccccc1)S3)[P](c1ccccn1)(c1ccccc1)c1ccccc1 |
Title of publication | Reactivity of the [MoS4Cu6Br8]4‒ anion toward polyarylphosphorus ligands: synthesis, characterization and nonlinear optical properties of [MoS4(Cudppf)2]·2DMF·CH3CN and [MoS4Cu2(Ph2PPy)4] |
Authors of publication | Niu, Yun-Yin; Chen, Tian-Niu; Liu, Shi-Xiong; Song, Ying-Lin; Wang, Yu-Xiao; Xue, Zi-Ling; Xin, Xin-Quan |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 9 |
Pages of publication | 1980 |
a | 17.4276 ± 0.0015 Å |
b | 17.4276 ± 0.0015 Å |
c | 21.3445 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6482.8 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.0716 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0833 |
Weighted residual factors for all reflections included in the refinement | 0.1025 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.482 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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