Information card for entry 7113514

Structure parameters

• Formula: C89 H71 Cl3 P4 Ru Sn2
• Calculated formula: C89 H71 Cl3 P4 Ru Sn2
• SMILES: ClC(Cl)Cl.[Sn]([Ru]12([Sn](c3ccccc3)(c3ccccc3)c3ccccc3)([P](=C(C(=[P]1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[P](=C(C(=[P]2c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Neutral and dianionic iron and ruthenium 1,4-diphosphabutadiene complexes
• Authors of publication: Moores, Audrey; Mézailles, Nicolas; Ricard, Louis; Mathey, François; Le Floch, Pascal
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 1914 - 1915
• a: 13.3669 ± 0.0001 Å
• b: 52.3062 ± 0.0003 Å
• c: 12.5912 ± 0.0001 Å
• α: 90°
• β: 115.857 ± 0.0001°
• γ: 90°
• Cell volume: 7922.06 ± 0.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0704
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103818
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No