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Information card for entry 4315927
Preview
| Coordinates | 4315927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H42 N6 O33 Pt15 Ru |
|---|---|
| Calculated formula | C69 H42 N6 O33 Pt15 Ru |
| SMILES | C1(=O)[Pt]23(C#[O])C(=O)[Pt]43(C(=O)[Pt]124C#[O])C#[O].C(#[O])[Pt]1234C(=O)[Pt]563(C#[O])C(=O)[Pt]45(C#[O])(C2=O)[Pt]2345(C(=O)[Pt]7812(C#[O])[Pt]129%10(C#[O])C(=O)[Pt]%11%1259(C#[O])C(=O)[Pt]2%11(C#[O])(C1=O)([Pt]648(C#[O])(C7=O)C3=O)[Pt]123(C#[O])C(=O)[Pt]4%102(C#[O])C(=O)[Pt]%1234(C#[O])C1=O)C#[O].c12cccc[n]1[Ru]13([n]4ccccc4c4[n]3cccc4)([n]3ccccc23)[n]2ccccc2c2[n]1cccc2.CC(=O)C.CC(=O)C.CC(=O)C |
| Title of publication | Self-Assembly of [Pt3n(CO)6n]2- (n= 4-8) Carbonyl Clusters: from Molecules to Conducting Molecular Metal Wires |
| Authors of publication | Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Tatiana Lovato; Stefano Stagni; Stefano Zacchini |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 5992 - 6004 |
| a | 18.0804 ± 0.0009 Å |
| b | 18.0804 ± 0.0009 Å |
| c | 16.0241 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4536.5 ± 0.4 Å3 |
| Cell temperature | 566 ± 2 K |
| Ambient diffraction temperature | 566 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 173 |
| Hermann-Mauguin space group symbol | P 63 |
| Hall space group symbol | P 6c |
| Residual factor for all reflections | 0.1233 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.0994 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179239 (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 4/31/59. |
4315927.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4315927.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4315927.cif |
| 9094 | 2011-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4315927 via cif-deposit CGI script. |
4315927.cif |
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Users of the data should acknowledge the original authors of the
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