Information card for entry 7008123

Structure parameters

• Common name: (Sm((Nmes)2NN')Cl)2
• Chemical name: [Sm({Nmes}2NN')Cl]2
• Formula: C62 H78 Cl2 N8 Sm2
• Calculated formula: C62 H78 Cl2 N8 Sm2
• SMILES: [Sm]1234([Cl][Sm]567([Cl]1)N(CC[N]6(CCN5c1c(cc(cc1C)C)C)Cc1[n]7cccc1)c1c(cc(cc1C)C)C)N(CC[N]3(CCN2c1c(cc(cc1C)C)C)Cc1[n]4cccc1)c1c(cc(cc1C)C)C.c1ccccc1
• Title of publication: Lanthanide mono(borohydride) complexes of diamide-diamine donor ligands: novel single site catalysts for the polymerisation of methyl methacrylate.
• Authors of publication: Bonnet, Fanny; Hillier, Anna C.; Collins, Anna; Dubberley, Stuart R.; Mountford, Philip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 3
• Pages of publication: 421 - 423
• a: 16.165 ± 0.003 Å
• b: 21.332 ± 0.004 Å
• c: 17.402 ± 0.004 Å
• α: 90°
• β: 97.46 ± 0.03°
• γ: 90°
• Cell volume: 5950 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for all reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No