Information card for entry 2018099

Structure parameters

• Chemical name: poly[[diaquatri-μ~2~-chlorido-tri-μ~3~-nicotinato- tricopper(I)gadolinium(III)] hemiydrate]
• Formula: C18 H17 Cl3 Cu3 Gd N3 O8.5
• Calculated formula: C18 H17 Cl3 Cu3 Gd N3 O8.5
• Title of publication: A novel three-dimensional heterometallic coordination polymer: poly[[diaquadi-μ~3~-chlorido-μ~2~-chlorido-tri-μ~3~-nicotinato-tricopper(I)gadolinium(III)] hemihydrate]
• Authors of publication: Wu, Shuhong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m211 - m214
• a: 9.5388 ± 0.0011 Å
• b: 12.6589 ± 0.0014 Å
• c: 21.4 ± 0.002 Å
• α: 90°
• β: 98.539 ± 0.001°
• γ: 90°
• Cell volume: 2555.4 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No