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Information card for entry 1517697
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Coordinates | 1517697.cif |
---|
Formula | C50 H52 Cr2 N16 Ni O6 |
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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 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 | 0.0383 |
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 |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517697.cif |
123753 | 2014-09-12 | cif/ Adding structures of 1517697 via cif-deposit CGI script. |
1517697.cif |
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Users of the data should acknowledge the original authors of the
structural data.