Information card for entry 7220290

Structure parameters

• Formula: C31 H24 Cu2 N6 O9
• Calculated formula: C31 H22 Cu2 N6 O8
• Title of publication: Syntheses, structures, magnetic and luminescence properties of a series of coordination polymers constructed from 1,4-naphthalenedicarboxylate and N-donor ligands
• Authors of publication: Yang, Liu; Qin, Chao; Song, Bai-Qiao; Li, Xiao; Wang, Chun-Gang; Su, Zhong-Min
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 4517
• a: 15.0315 ± 0.0014 Å
• b: 10.8209 ± 0.001 Å
• c: 20.331 ± 0.0019 Å
• α: 90°
• β: 106.002 ± 0.002°
• γ: 90°
• Cell volume: 3178.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0923
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No