Information card for entry 4505993

Structure parameters

• Formula: C33 H22 Cd N2 O5
• Calculated formula: C33 H22 Cd N2 O5
• Title of publication: Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands
• Authors of publication: Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2397
• a: 10.1491 ± 0.0007 Å
• b: 11.2091 ± 0.0007 Å
• c: 12.6834 ± 0.0007 Å
• α: 103.803 ± 0.005°
• β: 105.73 ± 0.006°
• γ: 95.165 ± 0.006°
• Cell volume: 1330.15 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 0.641
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No