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Information card for entry 4313569
Preview
Coordinates | 4313569.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29.5 H60 Cl4 Cu4 N4 Ni2 O1.5 S4 |
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Calculated formula | C29.5 H60 Cl4 Cu4 N4 Ni2 O1.5 S4 |
SMILES | [Cu]1(Cl)S23[Cu](Cl)S45[Cu](Cl)S6([Cu](Cl)S71[Ni]14[N]4(CCC[N]1(CCC4)CC5(C)C)CC7(C)C)[Ni]12[N]2(CCC[N]1(CCC2)CC6(C)C)CC3(C)C.CO.CO |
Title of publication | Adamantane-like Cluster Complexes of Mixed-Valent Copper-Copper and Nickel-Copper Thiolates |
Authors of publication | Matthew L. Miller; Said A. Ibrahim; Melissa L. Golden; Marcetta Y. Darensbourg |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 2999 - 3007 |
a | 11.427 ± 0.002 Å |
b | 19.027 ± 0.004 Å |
c | 21.759 ± 0.004 Å |
α | 90° |
β | 98.842 ± 0.004° |
γ | 90° |
Cell volume | 4674.7 ± 1.5 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 8 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0945 |
Residual factor for significantly intense reflections | 0.0709 |
Weighted residual factors for significantly intense reflections | 0.1657 |
Weighted residual factors for all reflections included in the refinement | 0.1752 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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