Information card for entry 4307508

Structure parameters

• Formula: C28 H38 Co I N3
• Calculated formula: C28 H38 Co I N3
• SMILES: Cc1c(c(c2C=c3c(c(c4C=c5c(c(c(C)[n]5[Co](I)(n12)[n]34)CC)CC)CC)CC)CC)CC
• Title of publication: Cyanide-Promoted Demetalation of TrpyNiNCO: A Route to Sensitive Metallotripyrrins of CoII, FeII, and MnII
• Authors of publication: Martin Bröring; Serguei Prikhodovski; Carsten D. Brandt; Esther Cónsul Tejero; Silke Köhler; Clemens Pietzonka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 917 - 925
• a: 10.5956 ± 0.0009 Å
• b: 11.6384 ± 0.001 Å
• c: 12.4709 ± 0.001 Å
• α: 110.484 ± 0.001°
• β: 95.676 ± 0.001°
• γ: 102.899 ± 0.001°
• Cell volume: 1377.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No