Information card for entry 7221636

Structure parameters

• Formula: C82 H62 N16 O29 Pr2 S6
• Calculated formula: C82 H62 N16 O29 Pr2 S6
• Title of publication: Unique lanthanide frameworks with 63topology based on 1,5-naphthalenedisulfonate and 1H-imidazo[4,5-f][1,10]-phenanthroline: syntheses, crystal structure, photoluminescence, and white light emission
• Authors of publication: Ma, Dou; Huo, Rui; Li, Xia
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 34
• Pages of publication: 6575
• a: 17.3644 ± 0.0008 Å
• b: 16.2122 ± 0.0008 Å
• c: 16.2003 ± 0.0008 Å
• α: 90°
• β: 103.517 ± 0.001°
• γ: 90°
• Cell volume: 4434.3 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No