Information card for entry 4072931

Structure parameters

• Formula: C44.5 H62.5 N4 Sm
• Calculated formula: C43 H59 N4 Sm
• SMILES: [Sm]123456789%10%11(n%12c%13C(C%14[N]3(C(C(c3n2c(C([C]26[N]1([C]4(C(c%12cc%13)(CC)CC)=[CH]5[CH]%11=2)C)(CC)CC)cc3)(CC)CC)=CC=%14)C)(CC)CC)[cH]1[cH]%10[cH]9[cH]8[cH]71
• Title of publication: Buckling under Strain: Relief of Steric Pressure Occurs Differently for Samarium(III) Porphyrinogen Complexes of the π-Bound Auxiliary Ligands Cyclopentadienyl and Cyclooctatetraenediyl
• Authors of publication: Frey, Alistair S. P.; Gardiner, Michael G.; Stringer, Damien N.; Yates, Brian F.; George, Adrian V.; Jensen, Paul; Turner, Peter
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 6
• Pages of publication: 1299
• a: 16.794 ± 0.003 Å
• b: 30.921 ± 0.005 Å
• c: 15.991 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8304 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No