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Information card for entry 4324506
Preview
Coordinates | 4324506.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H132 Cr2 Cu3 N24 O0 |
---|---|
Calculated formula | C78 H132 Cr2 Cu3 N24 |
SMILES | [Cr](C#N)(C#N)(C#N)(C#N)(C#N)C#N.[Cu]123[NH]4[C@@H]5CCCC[C@H]5[NH]1[C@H](CC)CC[NH]2[C@H]1CCCC[C@@H]1[NH]3[C@@H](CC)CC4.[Cr](C#N)(C#N)(C#N)(C#N)(C#N)C#N.[Cu]123[NH]4[C@H]5CCCC[C@@H]5[NH]1[C@@H](CC)CC[NH]2[C@@H]1CCCC[C@H]1[NH]3[C@H](CC)CC4.[NH]12[Cu]34[NH]([C@@H]5[C@@H]1CCCC5)[C@@H](CC)CC[NH]3[C@@H]1CCCC[C@H]1[NH]4[C@H](CC)CC2 |
Title of publication | Cyano-Bridged Pentanuclear and Honeycomblike MIIICuII (M = Fe, Cr) Bimetallic Assemblies: Structural Variations Modulated by Side Groups of Macrocyclic Ligands and Magnetic Properties |
Authors of publication | Jeong Hak Lim; Jung Hee Yoon; Sang Yup Choi; Dae Won Ryu; Eui Kwan Koh; Chang Seop Hong |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 1749 - 1757 |
a | 16.866 ± 0.0007 Å |
b | 17.7731 ± 0.0008 Å |
c | 17.9983 ± 0.0008 Å |
α | 68.326 ± 0.001° |
β | 68.76 ± 0.001° |
γ | 74.593 ± 0.001° |
Cell volume | 4618.7 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0789 |
Residual factor for significantly intense reflections | 0.05 |
Weighted residual factors for significantly intense reflections | 0.1244 |
Weighted residual factors for all reflections included in the refinement | 0.1355 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4324506.html
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Users of the data should acknowledge the original authors of the
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