Information card for entry 4506261

Structure parameters

• Formula: C33 H27 Br Cu2 La2 N4 O18
• Calculated formula: C33 H23 Br Cu2 La2 N4 O17
• Title of publication: Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides
• Authors of publication: Li, Xinfa; Huang, Yuanbiao; Cao, Rong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 3549
• a: 15.24 ± 0.0007 Å
• b: 31.4564 ± 0.0011 Å
• c: 16.8503 ± 0.0008 Å
• α: 90°
• β: 107.784 ± 0.005°
• γ: 90°
• Cell volume: 7692 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.1141
• 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