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Information card for entry 7042103
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Coordinates | 7042103.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | cis,trans-[RuII(CO)2Cl2(MBI)2] |
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Formula | C18 H16 Cl2 N4 O2 Ru |
Calculated formula | C18 H16 Cl2 N4 O2 Ru |
SMILES | [Ru]([n]1c2c(n(C)c1)cccc2)(Cl)(Cl)([n]1c2c(cccc2)n(C)c1)(C#[O])C#[O] |
Title of publication | {Ru(CO)x}-Core complexes with benzimidazole ligands: synthesis, X-ray structure and evaluation of anticancer activity in vivo. |
Authors of publication | Tamasi, Gabriella; Merlino, Antonello; Scaletti, Federica; Heffeter, Petra; Legin, Anton A.; Jakupec, Michael A.; Berger, Walter; Messori, Luigi; Keppler, Bernhard K.; Cini, Renzo |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 9 |
Pages of publication | 3025 - 3040 |
a | 12.818 ± 0.005 Å |
b | 11.653 ± 0.005 Å |
c | 13.918 ± 0.005 Å |
α | 90° |
β | 105.766 ± 0.005° |
γ | 90° |
Cell volume | 2000.7 ± 1.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1515 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.0833 |
Weighted residual factors for all reflections included in the refinement | 0.0952 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.689 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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