Information card for entry 4502198

Structure parameters

• Formula: C45 H46 Cd Fe N8 O12
• Calculated formula: C45 H46 Cd Fe N8 O12
• Title of publication: Secondary Ligand-Directed Assembly of CdIICoordination Architectures: From 0D to 3D Complexes Based on Ferrocenyl Carboxylate
• Authors of publication: Shi, Xianju; Wang, Xia; Li, Linke; Hou, Hongwei; Fan, Yaoting
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 2490
• a: 13.776 ± 0.003 Å
• b: 14.405 ± 0.003 Å
• c: 14.789 ± 0.003 Å
• α: 102.87 ± 0.03°
• β: 111.52 ± 0.03°
• γ: 103.48 ± 0.03°
• Cell volume: 2496.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.085
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No