Information card for entry 7025795

Structure parameters

• Formula: C42 H35 B N3 O3 Re
• Calculated formula: C42 H35 B N3 O3 Re
• SMILES: [Re]12([n]3ccccc3C[N]1(CC#C)Cc1[n]2cccc1)(C#[O])(C#[O])C#[O].[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Sequential insertion of three different organometallics into a versatile building block containing a PNA backbone.
• Authors of publication: Patra, Malay; Gasser, Gilles; Bobukhov, Dmytro; Merz, Klaus; Shtemenko, Alexander V.; Metzler-Nolte, Nils
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 24
• Pages of publication: 5617 - 5619
• a: 9.135 ± 0.004 Å
• b: 12.789 ± 0.006 Å
• c: 19.23 ± 0.009 Å
• α: 108.477 ± 0.009°
• β: 91.253 ± 0.01°
• γ: 101.914 ± 0.009°
• Cell volume: 2075.6 ± 1.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No