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Information card for entry 1517700
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Coordinates | 1517700.cif |
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Formula | C52 H60 Cr2 N16 Ni O8 |
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Calculated formula | C52 H60 Cr2 N16 Ni O8 |
SMILES | [Ni]123([N]#C[Cr]456([n]7c(cccc7)C(=O)N4c4ccc(C)cc4N5C(=O)c4[n]6cccc4)C#N)([N]#C[Cr]456([n]7ccccc7C(=O)N4c4ccc(C)cc4N5C(=O)c4[n]6cccc4)C#N)[NH]4CC[NH]3CCC[NH]1CC[NH]2CCC4.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 | 15.716 ± 0.003 Å |
b | 13.648 ± 0.003 Å |
c | 12.753 ± 0.003 Å |
α | 90° |
β | 93.04 ± 0.03° |
γ | 90° |
Cell volume | 2731.6 ± 1 Å3 |
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 | 0.0686 |
Residual factor for significantly intense reflections | 0.0674 |
Weighted residual factors for significantly intense reflections | 0.1715 |
Weighted residual factors for all reflections included in the refinement | 0.1726 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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