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Information card for entry 4319356
Preview
| Coordinates | 4319356.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H70 Cl2 N14 Ni3 O10 Se4 |
|---|---|
| Calculated formula | C38 H70 Cl2 N14 Ni3 O10 Se4 |
| SMILES | C(N(C)C)=[O][Ni]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)Cl.[Ni]12([Se]C(=C(C#N)[Se]1)C#N)[Se]C(=C(C#N)[Se]2)C#N.C(N(C)C)=[O][Ni]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)Cl |
| Title of publication | Syntheses and Characterization of the Metal Maleonitrilediselenolates [K([2.2.2]-cryptand)]2[M(Se2C2(CN)2)2] (M = Ni, Pd, Pt) and [Ni(dmf)5Cl]2[Ni(Se2C2(CN)2)2] |
| Authors of publication | Craig C. McLauchlan; Scott D. Robowski; James A. Ibers |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 1372 - 1375 |
| a | 8.842 ± 0.0018 Å |
| b | 13.161 ± 0.003 Å |
| c | 13.831 ± 0.003 Å |
| α | 110.08 ± 0.03° |
| β | 95.23 ± 0.03° |
| γ | 93.72 ± 0.03° |
| Cell volume | 1497.4 ± 0.6 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0629 |
| Weighted residual factors for all reflections included in the refinement | 0.0649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179273 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/93. |
4319356.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319356.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319356.cif |
| 16088 | 2011-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4319356 via cif-deposit CGI script. |
4319356.cif |
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