Information card for entry 4324505

Structure parameters

• Formula: C72 H120 Cr2 Cu3 N24 O0
• Calculated formula: C72 H120 Cr2 Cu3 N24
• SMILES: C(#N)[Cr](C#N)(C#N)(C#N)(C#N)C#N.C1C[C@H]2[NH]3CC[C@@H]([NH]4[Cu]53[NH]([C@@H](CC[NH]5[C@H]3CCCC[C@H]43)C)[C@@H]2CC1)C.[NH]12[C@H]3CCCC[C@@H]3[NH]3CC[C@H]([NH]4[Cu]23[NH]([C@H]2[C@H]4CCCC2)CC[C@@H]1C)C.[C@H]12CCCC[C@H]2[NH]2[Cu]34[NH]1[C@@H](CC[NH]4[C@@H]1[C@H](CCCC1)[NH]3[C@H](CC2)C)C.C(#N)[Cr](C#N)(C#N)(C#N)(C#N)C#N
• 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: 10.133 ± 0.0003 Å
• b: 16.2955 ± 0.0004 Å
• c: 17.4383 ± 0.0005 Å
• α: 65.009 ± 0.001°
• β: 76.164 ± 0.001°
• γ: 81.944 ± 0.001°
• Cell volume: 2531.63 ± 0.12 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: 0.1236
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No