Information card for entry 7006591

Structure parameters

• Formula: C86 H108 F6 N6 O10 Os S2
• Calculated formula: C72 H84 N6 Os
• SMILES: c1c2c(cc3c4cc5c(c[n]4[Os]46([n]13)([n]1cc3c(cc1c1cc7c(c[n]41)[C@H]1C([C@@H](C7)C1)(C)C)C[C@H]4C(C)(C)[C@@H]3C4)[n]1cc3c(cc1c1cc4c(c[n]61)[C@H]1C([C@@H](C4)C1)(C)C)C[C@@H]1C([C@H]3C1)(C)C)[C@H]1C([C@@H](C5)C1)(C)C)C[C@@H]1C([C@H]2C1)(C)C
• Title of publication: Stereoselectivity in the formation of tris-diimine complexes of Fe(II), Ru(II), and Os(II) with a C2-symmetric chiral derivative of 2,2'-bipyridine.
• Authors of publication: Drahonovský, Dusan; Knof, Ulrich; Jungo, Laurence; Belser, Thomas; Neels, Antonia; Labat, Gaël Charles; Stoeckli-Evans, Helen; von Zelewsky, Alex
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 11
• Pages of publication: 1444 - 1454
• a: 14.8936 ± 0.0013 Å
• b: 21.6543 ± 0.0012 Å
• c: 15.3712 ± 0.0012 Å
• α: 90°
• β: 118.321 ± 0.006°
• γ: 90°
• Cell volume: 4364 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2013
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No