Information card for entry 7214341

Structure parameters

• Chemical name: [Chlorotrisdimethylformamide{(±)-2,7,12-trimethoxy- 3,8,13-tris(4-N-oxide-pyridyloxy)-10,15-dihydro-5H- tribenzo[a,d,g]cyclononatriene}samarium(III) pentachlorodimethylformamidesamariumate(III) dimethylformamide
• Formula: C61.5 H78.5 Cl6 N9.5 O18.5 Sm2
• Calculated formula: C61.5 H78.5 Cl6 N9.5 O18.5 Sm2
• Title of publication: Lanthanide coordination polymers with pyridyl-N-oxide or carboxylate functionalised host ligands
• Authors of publication: Henkelis, James J.; Ronson, Tanya K.; Hardie, Michaele J.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 3688
• a: 12.7326 ± 0.0012 Å
• b: 16.1047 ± 0.0013 Å
• c: 19.7002 ± 0.0017 Å
• α: 103.648 ± 0.002°
• β: 91.582 ± 0.003°
• γ: 94.159 ± 0.003°
• Cell volume: 3911 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No