Information card for entry 4071559

Structure parameters

• Formula: C109 H82 Cl7 N2 O3 Os2 P4 Re
• Calculated formula: C109 H82 Cl7 N2 O3 Os2 P4 Re
• SMILES: c1(cc(cc(c1)C#Cc1c[n]2c(cc1)c1[n](cccc1)[Re]2(Cl)(C#[O])(C#[O])C#[O])C#C[Os]1234([cH]5[cH]1[cH]2[cH]3[cH]45)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C#C[Os]1234([cH]5[cH]1[cH]2[cH]3[cH]45)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Heteromultimetallic Transition Metal Complexes Based on Unsymmetrical Platinum(II) Bis-Acetylides
• Authors of publication: Packheiser, Rico; Ecorchard, Petra; Rüffer, Tobias; Lang, Heinrich
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 3534
• a: 9.7379 ± 0.0009 Å
• b: 20.428 ± 0.002 Å
• c: 26.946 ± 0.003 Å
• α: 75.718 ± 0.01°
• β: 80.444 ± 0.009°
• γ: 82.966 ± 0.009°
• Cell volume: 5103.8 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No