Information card for entry 4324506

Structure parameters

• Formula: C78 H132 Cr2 Cu3 N24 O0
• Calculated formula: C78 H132 Cr2 Cu3 N24
• SMILES: [Cr](C#N)(C#N)(C#N)(C#N)(C#N)C#N.[Cu]123[NH]4[C@@H]5CCCC[C@H]5[NH]1[C@H](CC)CC[NH]2[C@H]1CCCC[C@@H]1[NH]3[C@@H](CC)CC4.[Cr](C#N)(C#N)(C#N)(C#N)(C#N)C#N.[Cu]123[NH]4[C@H]5CCCC[C@@H]5[NH]1[C@@H](CC)CC[NH]2[C@@H]1CCCC[C@H]1[NH]3[C@H](CC)CC4.[NH]12[Cu]34[NH]([C@@H]5[C@@H]1CCCC5)[C@@H](CC)CC[NH]3[C@@H]1CCCC[C@H]1[NH]4[C@H](CC)CC2
• Title of publication: Cyano-Bridged Pentanuclear and Honeycomblike MIIICuII (M = Fe, Cr) Bimetallic Assemblies: Structural Variations Modulated by Side Groups of Macrocyclic Ligands and Magnetic Properties
• Authors of publication: Jeong Hak Lim; Jung Hee Yoon; Sang Yup Choi; Dae Won Ryu; Eui Kwan Koh; Chang Seop Hong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1749 - 1757
• a: 16.866 ± 0.0007 Å
• b: 17.7731 ± 0.0008 Å
• c: 17.9983 ± 0.0008 Å
• α: 68.326 ± 0.001°
• β: 68.76 ± 0.001°
• γ: 74.593 ± 0.001°
• Cell volume: 4618.7 ± 0.4 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: 0.0789
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1355
• 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