Information card for entry 4314140

Structure parameters

• Formula: C46 H106 Cr2 N30 Ni3 O16
• Calculated formula: C46.02 H72 Cr2 N30 Ni3 O15.98
• Title of publication: Pendant Macrocyclic Metallic Building Blocks for the Design of Cyano-Bridged Heterometallic Complexes with 1D Chain and 2D Layer Structures
• Authors of publication: Hui-Zhong Kou; Bei Chuan Zhou; Song Gao; Dai-Zheng Liao; Ru-Ji Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5604 - 5611
• a: 14.856 ± 0.002 Å
• b: 14.856 ± 0.002 Å
• c: 9.195 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1757.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No