Information card for entry 1517699

Structure parameters

• Formula: C50 H54 Cl2 Cr2 N16 Ni O8
• Calculated formula: C50 H54 Cl2 Cr2 N16 Ni O8
• SMILES: [Ni]123([N]#C[Cr]456(N(c7c(N6C(=O)c6[n]5cccc6)cc(Cl)cc7)C(=O)c5[n]4cccc5)C#N)([N]#C[Cr]456([n]7ccccc7C(=O)N4c4cc(Cl)ccc4N5C(=O)c4[n]6cccc4)C#N)[NH]4CCC[NH]2CC[NH]1CCC[NH]3CC4.O.O.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: 15.671 ± 0.003 Å
• b: 13.591 ± 0.003 Å
• c: 12.821 ± 0.003 Å
• α: 90°
• β: 92.78 ± 0.03°
• γ: 90°
• Cell volume: 2727.5 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.0822
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2138
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No