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Information card for entry 4107551
Preview
| Coordinates | 4107551.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | {(PNP-2)Cu}2 |
|---|---|
| Formula | C80 H136 Cu2 N2 O2 P4 |
| Calculated formula | C80 H136 Cu2 N2 O2 P4 |
| SMILES | [Cu]1234[Cu]56([N]1(c1c([P]3(CC(C)C)CC(C)C)cc(cc1)C(C)(C)C)c1c([P]5(CC(C)C)CC(C)C)cc(cc1)C(C)(C)C)[N]2(c1c([P]6(CC(C)C)CC(C)C)cc(cc1)C(C)(C)C)c1c([P]4(CC(C)C)CC(C)C)cc(cc1)C(C)(C)C.O1CCCC1.O1CCCC1 |
| Title of publication | Probing the Electronic Structures of [Cu2(μ-XR2)]n+ Diamond Cores as a Function of the Bridging X Atom (X = N or P) and Charge (n= 0, 1, 2) |
| Authors of publication | Seth B. Harkins; Neal P. Mankad; Alexander J. M. Miller; Robert K. Szilagyi; Jonas C. Peters |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 3478 - 3485 |
| a | 23.078 ± 0.002 Å |
| b | 18.2536 ± 0.0018 Å |
| c | 19.151 ± 0.002 Å |
| α | 90° |
| β | 94.816 ± 0.002° |
| γ | 90° |
| Cell volume | 8039 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1644 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178821 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/75. |
4107551.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107551.cif |
| 55237 | 2012-05-04 | cif/ Adding structures of 4107551 via cif-deposit CGI script. |
4107551.cif |
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Users of the data should acknowledge the original authors of the
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