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Information card for entry 1505684
Preview
Coordinates | 1505684.cif |
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Original paper (by DOI) | HTML |
Common name | [Ru(p-cymene)(bimid)2Cl]Cl |
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Formula | C24 H38 Cl2 N4 Ru |
Calculated formula | C24 H38 Cl2 N4 Ru |
SMILES | [Ru]12345(Cl)([n]6ccn(c6)CCCC)([n]6cn(cc6)CCCC)[cH]6[c]1([cH]2[cH]5[c]4(C)[cH]36)C(C)C.[Cl-] |
Title of publication | Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes. |
Authors of publication | Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J. |
Journal of publication | Journal of medicinal chemistry |
Year of publication | 2006 |
Journal volume | 49 |
Journal issue | 18 |
Pages of publication | 5552 - 5561 |
a | 8.563 ± 0.007 Å |
b | 13.044 ± 0.011 Å |
c | 13.243 ± 0.003 Å |
α | 110.87 ± 0.03° |
β | 98.93 ± 0.04° |
γ | 95.91 ± 0.06° |
Cell volume | 1345.2 ± 1.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0803 |
Residual factor for significantly intense reflections | 0.0512 |
Weighted residual factors for significantly intense reflections | 0.1297 |
Weighted residual factors for all reflections included in the refinement | 0.1486 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.248 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1505684.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505684.cif |
47659 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505683, 1505684, 1505685, 1505686, 1505687 via cif-deposit CGI script. |
1505684.cif |
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Users of the data should acknowledge the original authors of the
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