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Information card for entry 4001284
Preview
| Coordinates | 4001284.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C191.26 H120 Mo6 N8 O19.5 |
|---|---|
| Calculated formula | C191.194 H120 Mo5.9996 N8 O19.6102 |
| SMILES | c12c(c(c3=C(c4c(c(c5n4[Mo]4([n]13)([n]1c(=C5c3ccccc3)c(c(c1C(=c1n4c(c(c1c1ccccc1)c1ccccc1)=C2c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(=O)[OH2])c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.O1[Mo]23(O[Mo](O[Mo]1(=O)(O2)(O[Mo](O3)(=O)=O)=O)(=O)=O)(=O)=O.c1(ccccc1C)C.O.c1ccccc1C1=c2n3[Mo]45(n6c(c(c(c6C(=c6c(c(c([n]46)C(=c3c(c2c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)C(c2ccccc2)=c2[n]5c1c(c1ccccc1)c2c1ccccc1)(=O)[OH2].O |
| Title of publication | Porphyrin Nanotubes Based on Self-Assembly of Mo(V)−Dodecaphenylporphyrin Complexes and Inclusion of Mo−Oxo Clusters: Synthesis and Characterization by X-ray Crystallography and Transmission Electron Microscopy |
| Authors of publication | Kojima, Takahiko; Harada, Ryosuke; Nakanishi, Tatsuaki; Kaneko, Kenji; Fukuzumi, Shunichi |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2007 |
| Journal volume | 19 |
| Journal issue | 1 |
| Pages of publication | 51 |
| a | 21.496 ± 0.004 Å |
| b | 30.23 ± 0.006 Å |
| c | 25.858 ± 0.005 Å |
| α | 90° |
| β | 104.85 ± 0.03° |
| γ | 90° |
| Cell volume | 16242 ± 6 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0638 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1298 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.175 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286259 (current) | 2023-09-07 | cif/4 Fixing Z values and formulae |
4001284.cif |
| 178377 | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001284.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001284.cif |
| 45153 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4001284 via cif-deposit CGI script. |
4001284.cif |
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