Information card for entry 8000112

Structure parameters

• Formula: C20 H60 Cl4 Co2 N9 Na O22 Pt2 S5
• Calculated formula: C20 H60 Cl4 Co2 N9 Na1.00333 O22 Pt2 S5
• SMILES: C1([C@@H]2C(=O)O[Co]345([NH2]2)[S]1[Pt]([NH2]C)([NH2]C)[S]1CC[NH2][Co]261([NH2]CC[S]2[Pt]([NH2]C)([NH2]C)[S]5C([C@H](C(=O)O4)[NH2]3)(C)C)[NH2]CCS6)(C)C.O.O=Cl(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O=Cl(=O)(=O)[O-].[Na+].Cl(=O)(=O)(=O)[O-]
• Title of publication: Anion-controlled Preparation of Chiral S-Bridged CoIIIPtII2 and CoIII2PtII2 Complexes Consisting of [Co(D-penicillaminato-N,O,S)2]− and [Pt(CH3NH2)2]2+ Units
• Authors of publication: Igashira-Kamiyama, Asako; Fujioka, Junji; Kodama, Tomoki; Kawamoto, Tatsuya; Konno, Takumi
• Journal of publication: Chemistry Letters
• Year of publication: 2006
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 522
• a: 19.879 ± 0.005 Å
• b: 19.879 ± 0.005 Å
• c: 22.926 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7846 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.2822
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No