Information card for entry 7006590

Structure parameters

• Formula: C72 H84 F12 N6 Os P2
• Calculated formula: C72 H84 F12 N6 Os P2
• SMILES: c1c2c(cc3c4cc5c(c[n]4[Os]46([n]13)([n]1c(cc3c(c1)[C@H]1C([C@H](C1)C3)(C)C)c1cc3c(c[n]41)[C@H]1C([C@H](C1)C3)(C)C)[n]1c(cc3c(c1)[C@H]1C([C@H](C1)C3)(C)C)c1cc3c(c[n]61)[C@H]1C([C@H](C1)C3)(C)C)[C@H]1C([C@H](C1)C5)(C)C)C[C@@H]1C([C@H]2C1)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 11.5876 ± 0.0007 Å
• b: 15.649 ± 0.0011 Å
• c: 15.6557 ± 0.0012 Å
• α: 119.681 ± 0.008°
• β: 90.714 ± 0.008°
• γ: 111.307 ± 0.008°
• Cell volume: 2232 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No