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Information card for entry 4114691
Preview
Coordinates | 4114691.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H22 Cl F6 N2 P Ru |
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Calculated formula | C16 H22 Cl F6 N2 P Ru |
SMILES | [Ru]123456(Cl)([NH2]CC[NH2]1)[c]17[c]6([cH]5[cH]4[cH]3[cH]21)CC1=C(C7)CC=CC1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Organometallic Ruthenium(II) Diamine Anticancer Complexes: Arene-Nucleobase Stacking and Stereospecific Hydrogen-Bonding in Guanine Adducts |
Authors of publication | Haimei Chen; John A. Parkinson; Simon Parsons; Robert A. Coxall; Robert O. Gould; Peter J. Sadler |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 3064 - 3082 |
a | 12.171 ± 0.003 Å |
b | 8.4733 ± 0.0018 Å |
c | 18.946 ± 0.004 Å |
α | 90° |
β | 103.854 ± 0.003° |
γ | 90° |
Cell volume | 1897 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.025 |
Residual factor for significantly intense reflections | 0.023 |
Weighted residual factors for significantly intense reflections | 0.0616 |
Weighted residual factors for all reflections included in the refinement | 0.0625 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178917 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/46. |
4114691.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114691.cif |
68032 | 2012-10-15 | cif/ Adding structures of 4114691 via cif-deposit CGI script. |
4114691.cif |
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Users of the data should acknowledge the original authors of the
structural data.