Information card for entry 7030245

Structure parameters

• Formula: C60 H54 Co D18
• Calculated formula: C60 H72 Co
• SMILES: [c]12([cH]3[c]4([c]56cccc[c]15[Co]15782346[c]2([cH]1[c]5([c]17[c]82cccc1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Complexes of manganese, iron and cobalt with sterically demanding indenyl ligands.
• Authors of publication: Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 34
• Pages of publication: 10317 - 10327
• a: 13.089 ± 0.0005 Å
• b: 14.2424 ± 0.0005 Å
• c: 13.4791 ± 0.0007 Å
• α: 90°
• β: 110.734 ± 0.005°
• γ: 90°
• Cell volume: 2350.02 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0612
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No