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Information card for entry 7020563
Preview
| Coordinates | 7020563.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C73 H83 Fe2 N8 O10 |
|---|---|
| Calculated formula | C73 H83 Fe2 N8 O10 |
| Title of publication | Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles. |
| Authors of publication | Leeland, James W.; Finn, Colin; Escuyer, Bérengère; Kawaguchi, Hiroyuki; Nichol, Gary S.; Slawin, Alexandra M. Z.; Love, Jason B. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 45 |
| Pages of publication | 13815 - 13831 |
| a | 12.12 ± 0.003 Å |
| b | 13.077 ± 0.003 Å |
| c | 20.726 ± 0.005 Å |
| α | 95.077 ± 0.008° |
| β | 90.782 ± 0.006° |
| γ | 95.088 ± 0.011° |
| Cell volume | 3258.4 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.101 |
| Residual factor for significantly intense reflections | 0.0825 |
| Weighted residual factors for significantly intense reflections | 0.2247 |
| Weighted residual factors for all reflections included in the refinement | 0.2489 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7020563.cif |
| 179909 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/05. |
7020563.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020563.cif |
| 71653 | 2013-01-20 | cif/ Adding structures of 7020552, 7020553, 7020554, 7020555, 7020556, 7020557, 7020558, 7020559, 7020560, 7020561, 7020562, 7020563, 7020564, 7020565 via cif-deposit CGI script. |
7020563.cif |
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Users of the data should acknowledge the original authors of the
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