Information card for entry 4506787

Structure parameters

• Formula: C54 H100 Cu3 Gd2 N12 O32
• Calculated formula: C54 H84 Cu3 Gd2 N12 O32
• Title of publication: Two Novel 3d-4f Heterometallic Frameworks Assembled from a Flexible Bifunctional Macrocyclic Ligand
• Authors of publication: Zhu, Xian-Dong; Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Cao, Rong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4708
• a: 8.8492 ± 0.0009 Å
• b: 17.245 ± 0.002 Å
• c: 17.791 ± 0.002 Å
• α: 115.275 ± 0.003°
• β: 95.662 ± 0.003°
• γ: 103.865 ± 0.003°
• Cell volume: 2320.2 ± 0.5 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.2359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No