Information card for entry 2228162

Structure parameters

• Chemical name: Poly[[tris(μ~2~-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide)hexanitratodigadolinium(III)] dichloromethane disolvate]
• Formula: C32 H28 Cl4 Gd2 N12 O24
• Calculated formula: C32 H28 Cl4 Gd2 N12 O24
• SMILES: [Gd]1234([O]=n5ccc(cc5)c5ccn(=[O][Gd]678([O]=n9ccc(cc9)c9ccn(=O)cc9)([O]=n9ccc(cc9)c9ccn(=[O][Gd]%10%11%12([O]=n%13ccc(c%14ccn(=[O][Gd]%15%16%17([O]=n%18ccc(c%19ccn(=[O]1)cc%19)cc%18)([O]=N(=O)O%15)(ON(=[O]%16)=O)[O]=N(=O)O%17)cc%14)cc%13)([O]=N(O%10)=O)(ON(=[O]%11)=O)[O]=N(=O)O%12)cc9)([O]=N(O6)=O)(ON(=[O]7)=O)[O]=N(=O)O8)cc5)([O]=n1ccc(cc1)c1ccn(=O)cc1)([O]=N(=O)O2)(ON(=[O]3)=O)[O]=N(=O)O4.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Poly[[tris(μ~2~-4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide)hexanitratodigadolinium(III)] dichloromethane disolvate]
• Authors of publication: Dillner, Adam J.; Lilly, Cassandra P.; Knaust, Jacqueline M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1158 - m1159
• a: 7.9917 ± 0.0005 Å
• b: 11.5668 ± 0.0007 Å
• c: 13.0347 ± 0.0008 Å
• α: 86.059 ± 0.001°
• β: 80.134 ± 0.001°
• γ: 78.255 ± 0.001°
• Cell volume: 1161.52 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0204
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes