Information card for entry 4502193

Structure parameters

• Formula: C46 H48 Cd Fe N6 O9
• Calculated formula: C46 H48 Cd Fe N6 O9
• 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: 10.0223 ± 0.0013 Å
• b: 15.819 ± 0.002 Å
• c: 15.987 ± 0.002 Å
• α: 63.372 ± 0.002°
• β: 76.675 ± 0.002°
• γ: 76.634 ± 0.002°
• Cell volume: 2180.8 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1003
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No