Information card for entry 1517697

Structure parameters

• Formula: C50 H52 Cr2 N16 Ni O6
• Calculated formula: C50 H52 Cr2 N16 Ni O6
• SMILES: [Ni]123([NH]4CCC[NH]1CC[NH]3CCC[NH]2CC4)([N]#C[Cr]123([n]4ccccc4C(=O)N1c1ccccc1N2C(=O)c1[n]3cccc1)C#N)[N]#C[Cr]123([n]4ccccc4C(=O)N1c1ccccc1N2C(=O)c1[n]3cccc1)C#N.O.O
• 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: 14.443 ± 0.003 Å
• b: 14.416 ± 0.003 Å
• c: 13.379 ± 0.003 Å
• α: 90°
• β: 95.96 ± 0.03°
• γ: 90°
• Cell volume: 2770.6 ± 1 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: 0.0383
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No