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Information card for entry 7104642
Preview
Coordinates | 7104642.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C98 H94 Cl10 N6 O4 P4 Rh2 S4 |
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Calculated formula | C94 H84 Cl2 N6 O4 P4 Rh2 S4 |
SMILES | [Rh]123[S](CC[P]2(c2ccccc2)c2ccccc2)c2ccc(NC(=O)c4nc(ccc4)C(=O)Nc4ccc([S]5[Rh]6([S](c7ccc(NC(=O)c8nc(C(=O)Nc9ccc([S]1CC[P]3(c1ccccc1)c1ccccc1)cc9)ccc8)cc7)CC[P]6(c1ccccc1)c1ccccc1)[P](CC5)(c1ccccc1)c1ccccc1)cc4)cc2.[Cl-].[Cl-] |
Title of publication | Pseudo-allosteric regulation of the anion binding affinity of a macrocyclic coordination complex. |
Authors of publication | Kuwabara, Junpei; Yoon, Hyo Jae; Mirkin, Chad A; DiPasquale, Antonio G; Rheingold, Arnold L |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2009 |
Journal volume | 34 |
Journal issue | 30 |
Pages of publication | 4557 - 4559 |
a | 17.477 ± 0.005 Å |
b | 37.81 ± 0.01 Å |
c | 15.719 ± 0.004 Å |
α | 90° |
β | 110.518 ± 0.004° |
γ | 90° |
Cell volume | 9729 ± 4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0767 |
Residual factor for significantly intense reflections | 0.0622 |
Weighted residual factors for significantly intense reflections | 0.1734 |
Weighted residual factors for all reflections included in the refinement | 0.1805 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7104642.html
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Users of the data should acknowledge the original authors of the
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