Information card for entry 2208070

Structure parameters

• Chemical name: [11,23-Dimethyl-15,19-diaza-3,7-diazoniatricyclo[19.3.1.1^9,13^]trtracosa- 1(25),2,7,9,11,13(26),14,19,21,23-decaene-25,26-doiolato- κ^4^N^15^,N^19^,O,O']tris(nitrato-κ^2^O,O')samarium(III)
• Formula: C24 H28 N7 O11 Sm
• Calculated formula: C24 H28 N7 O11 Sm
• SMILES: [Sm]123456(Oc7c8C=[NH+]CCC[NH+]=Cc9cc(cc(C=[N]3CCC[N]6=Cc7cc(c8)C)c9O1)C)(ON(=[O]2)=O)(ON(=[O]4)=O)ON(=[O]5)=O
• Title of publication: [11,23-Dimethyl-15,19-diaza-3,7-diazoniatricyclo[19.3.1.1^9,13^]tetracosa-1(25),2,7,9,11,13(26),14,19,21,23-decaene-25,26-diolato-κ^4^<i>N</i>^15^,<i>N</i>^19^,<i>O</i>,<i>O</i>']tris(nitrato-κ^2^<i>O</i>,<i>O</i>')samarium(III)
• Authors of publication: Amaury du Moulinet d'Hardemare; Christian Philouze; Olivier Jarjayes
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m227 - m228
• a: 15.7532 ± 0.0013 Å
• b: 9.7237 ± 0.0005 Å
• c: 19.1342 ± 0.0015 Å
• α: 90°
• β: 104.457 ± 0.012°
• γ: 90°
• Cell volume: 2838.2 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections: 1.608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.608
• Diffraction radiation wavelength: 0.5608 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes