Information card for entry 7205796

Structure parameters

• Formula: C20 H16 Cu0.5 N3 Nd2 O17 S
• Calculated formula: C20 H16 Cu0.5 N3 Nd2 O17 S
• Title of publication: 3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net
• Authors of publication: Xu, Jing; Su, Weiping; Hong, Maochun
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 3998
• a: 10.51 Å
• b: 10.9229 ± 0.0004 Å
• c: 13.025 ± 0.0001 Å
• α: 88.851 ± 0.007°
• β: 66.903 ± 0.005°
• γ: 80.45 ± 0.007°
• Cell volume: 1354.67 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No