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Information card for entry 1553263
Preview
Coordinates | 1553263.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18.75 H26 Cl Ir N5 O0.75 |
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Calculated formula | C18.75 H26 Cl Ir N5 O0.75 |
SMILES | c12n([Ir]3456([c]7([c]3([c]4([c]5([c]67C)C)C)C)C)(Cl)[NH]=C(N1)N)c1c(n2)cccc1.CO |
Title of publication | Biguanide Iridium(III) Complexes with Potent Antimicrobial Activity. |
Authors of publication | Chen, Feng; Moat, John; McFeely, Daniel; Clarkson, Guy; Hands-Portman, Ian J; Furner-Pardoe, Jessica P; Harrison, Freya; Dowson, Christopher G.; Sadler, Peter J. |
Journal of publication | Journal of medicinal chemistry |
Year of publication | 2018 |
Journal volume | 61 |
Journal issue | 16 |
Pages of publication | 7330 - 7344 |
a | 11.78544 ± 0.00006 Å |
b | 14.43434 ± 0.00011 Å |
c | 23.04719 ± 0.00013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3920.67 ± 0.04 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0253 |
Residual factor for significantly intense reflections | 0.0229 |
Weighted residual factors for significantly intense reflections | 0.059 |
Weighted residual factors for all reflections included in the refinement | 0.0611 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
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