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Information card for entry 7002389
Preview
Coordinates | 7002389.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C98 H98 Cu6 N6 O32 |
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Calculated formula | C98 H98 Cu6 N6 O32 |
SMILES | [C@@H]12[C@@H]([C@@H]([C@@H](CO1)O)[O]1[Cu]34(Oc5ccc6c(cccc6)c5C=[N]23)[Cu]231Oc1c(c5c(cc1)cccc5)C=[N]2[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)[O]43)O)O.CO |
Title of publication | Role of the orientation of ‒OH groups in the sensitivity and selectivity of the interaction of M2+ with ribosyl- and galactosyl-imino-conjugates |
Authors of publication | Singhal, Nitin K.; Mitra, Atanu; Rajsekhar, Gudneppanaver; Shaikh, Mobin M.; Kumar, Subodh; Guionneau, Philippe; Rao, Chebrolu P. |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 39 |
Pages of publication | 8432 - 8442 |
a | 13.893 ± 0.002 Å |
b | 17.144 ± 0.002 Å |
c | 18.831 ± 0.002 Å |
α | 90° |
β | 100.73 ± 0.02° |
γ | 90° |
Cell volume | 4406.8 ± 1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0639 |
Residual factor for significantly intense reflections | 0.0493 |
Weighted residual factors for significantly intense reflections | 0.1155 |
Weighted residual factors for all reflections included in the refinement | 0.1249 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/7002389.html
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