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Information card for entry 4307086
Preview
Coordinates | 4307086.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H62 Cu2 N4 S2 |
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Calculated formula | C60 H62 Cu2 N4 S2 |
SMILES | Cc1c([N]2=Cc3ccccc3N([Cu]32[S]2[S]3[Cu]32[N](c2c(cccc2C)C)=Cc2ccccc2N3c2c(cccc2C)C)c2c(C)cccc2C)c(ccc1)C.c1(ccccc1)C.c1(ccccc1)C |
Title of publication | Ligand Structural Effects on Cu2S2 Bonding and Reactivity in Side-On Disulfido-Bridged Dicopper Complexes |
Authors of publication | Eric C. Brown; Itsik Bar-Nahum; John T. York; Nermeen W. Aboelella; William B. Tolman |
Journal of publication | Inorganic Chemistry |
Year of publication | 2007 |
Journal volume | 46 |
Pages of publication | 486 - 496 |
a | 16.0272 ± 0.0018 Å |
b | 15.9956 ± 0.0018 Å |
c | 20.072 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5145.8 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0547 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.0945 |
Weighted residual factors for all reflections included in the refinement | 0.0997 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4307086.html
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