Information card for entry 7019004

Structure parameters

• Formula: C19 H14 Cu Gd N2 O10 S
• Calculated formula: C19 H14 Cu Gd N2 O10 S
• Title of publication: A family of three-dimensional 3d‒4f and 4d‒4f heterometallic coordination polymers based on mixed isonicotinate and 2-sulfobenzoate ligands: syntheses, structures and photoluminescent properties
• Authors of publication: Li, Xinfa; Huang, Yuanbiao; Cao, Rong
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 20
• Pages of publication: 6195
• a: 9.4107 ± 0.0002 Å
• b: 13.4745 ± 0.0003 Å
• c: 16.972 ± 0.0004 Å
• α: 90°
• β: 101.176 ± 0.002°
• γ: 90°
• Cell volume: 2111.31 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No