Information card for entry 7214340

Structure parameters

• Chemical name: [Dinitro{(±)-2,7,12-Trimethoxy-3,8,13-tris(2-N-oxide-pyridylmethoxy)-10,15-dihydro-5H- tribenzo[a,d,g]cyclononatriene}]gadolinium(III) dimethylformamide
• Formula: C45 H46 Gd N7 O19
• Calculated formula: C45 H46 Gd N7 O19
• 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: 44.86 ± 0.004 Å
• b: 15.1635 ± 0.0014 Å
• c: 15.6748 ± 0.0014 Å
• α: 90°
• β: 97.55 ± 0.004°
• γ: 90°
• Cell volume: 10570.1 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1437
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.2194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No