Information card for entry 2225890

Structure parameters

• Chemical name: {μ-6,6'-Dimethoxy-2,2'-[butane-1,4-diylbis(nitrilomethylidyne)]diphenolato- 1:2κ^8^<i>O</i>^6^,<i>O</i>^1^,<i>O</i>^1'^,<i>O</i>^6'^: <i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}tris(nitrato- 1κ^2^<i>O</i>,<i>O</i>')copper(II)gadolinium(III)
• Formula: C20 H22 Cu Gd N5 O13
• Calculated formula: C20 H22 Cu Gd N5 O13
• SMILES: [Gd]123456([O](C)c7cccc8c7[O]1[Cu]17[N](=C8)CCCC[N]1=Cc1cccc([O]3C)c1[O]27)([O]=N(=O)O4)(ON(=[O]5)=O)ON(=[O]6)=O
• Title of publication: {μ-6,6'-Dimethoxy-2,2'-[butane-1,4-diylbis(nitrilomethylidyne)]diphenolato-1:2κ^8^<i>O</i>^6^,<i>O</i>^1^,<i>O</i>^1'^,<i>O</i>^6'^:<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}tris(nitrato-1κ^2^<i>O</i>,<i>O</i>')copper(II)gadolinium(III)
• Authors of publication: Chan, Christopher; Yang, Xiaoping; Jones, Richard A.; Holliday, Bradley J.; Stanley, Julie M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m576 - m577
• a: 11.795 ± 0.002 Å
• b: 14.73 ± 0.003 Å
• c: 14.892 ± 0.003 Å
• α: 90°
• β: 100.58 ± 0.03°
• γ: 90°
• Cell volume: 2543.4 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.0404
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes