Information card for entry 4314139

Structure parameters

• Formula: C78 H167 Cr5 N62 Ni4 O16
• Calculated formula: C78 H136 Cr5 N62 Ni4 O17
• 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: 14.404 ± 0.003 Å
• b: 15.514 ± 0.003 Å
• c: 18.147 ± 0.004 Å
• α: 78.02 ± 0.03°
• β: 75.65 ± 0.03°
• γ: 63.45 ± 0.03°
• Cell volume: 3492.4 ± 1.6 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: 0.1737
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.2342
• Weighted residual factors for all reflections included in the refinement: 0.2893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No