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Information card for entry 4310726
Preview
| Coordinates | 4310726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C116 H89 Cl N8 Ni2 Pt |
|---|---|
| Calculated formula | C116 H89 Cl N8 Ni2 Pt |
| SMILES | [Pt]1(c2c(C3=C4[N]1=CC1=C(c5ccc6=C(c7ccc8C(=c9ccc3[n]9[Ni](C41Cc1ccccc1)(n78)[n]56)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)ccc(c2)C)(Cl)[N]1C2=C(c3ccc4=C(c5ccc6C(=c7ccc8C(=C(C=1)C2([Ni](n56)([n]34)[n]78)Cc1ccccc1)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C.c1ccccc1 |
| Title of publication | Diastereoselective Assembling of 21-C-Alkylated Nickel(II) Complexes of Inverted Porphyrin on a Platinum(II) Template |
| Authors of publication | Piotr J. Chmielewski; Izabela Schmidt |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 1885 - 1894 |
| a | 22.8081 ± 0.0016 Å |
| b | 27.075 ± 0.002 Å |
| c | 30.787 ± 0.002 Å |
| α | 90° |
| β | 103.255 ± 0.006° |
| γ | 90° |
| Cell volume | 18505 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.3302 |
| Residual factor for significantly intense reflections | 0.1434 |
| Weighted residual factors for significantly intense reflections | 0.2121 |
| Weighted residual factors for all reflections included in the refinement | 0.2737 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179146 (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 4/31/07. |
4310726.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310726.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310726.cif |
| 2215 | 2010-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4310726 via cif-deposit CGI script. |
4310726.cif |
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