Information card for entry 1517701

Structure parameters

• Formula: C54 H56 Cr2 N16 Ni O4
• Calculated formula: C54 H56 Cr2 N16 Ni O4
• SMILES: [Ni]123([N]#C[Cr]456([n]7ccccc7C(=O)N4c4cc(C)c(C)cc4N5C(=O)c4[n]6cccc4)C#N)([NH]4CC[NH]1CCC[NH]2CC[NH]3CCC4)[N]#C[Cr]123([n]4ccccc4C(=O)N1c1cc(C)c(C)cc1N2C(=O)c1[n]3cccc1)C#N
• Title of publication: Syntheses, crystal structures, and magnetic properties of a series of cyanide-bridged trinuclear chromate(III)-nickel(II)-chromate(III) complexes based on dicyanidechromate(III) building blocks
• Authors of publication: Hui Chen; Bao-Xi Miao; Li-Fang Zhang; Guo-Ling Li; Zhong-Hai Ni
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 404
• Pages of publication: 34 - 39
• a: 9.0535 ± 0.0018 Å
• b: 14.211 ± 0.003 Å
• c: 20.331 ± 0.004 Å
• α: 90°
• β: 90.37 ± 0.03°
• γ: 90°
• Cell volume: 2615.7 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No