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Information card for entry 4312764
Preview
| Coordinates | 4312764.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H71 Cl3 N12 O14 Zn2 |
|---|---|
| Calculated formula | C42 H71 Cl3 N12 O14 Zn2 |
| Title of publication | Coordination Chemistry of a New Cofacial Binucleating Macropolycycle Derived from 1,4,7-Triazacyclononane |
| Authors of publication | Lorenzo Tei; Massimiliano Arca; M. Carla Aragoni; Andrea Bencini; Alexander J. Blake; Claudia Caltagirone; Francesco A. Devillanova; Patrizia Fornasari; Alessandra Garau; Francesco Isaia; Vito Lippolis; Martin Schröder; Simon J. Teat; Barbara Valtancoli |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 8690 - 8701 |
| a | 12.433 ± 0.002 Å |
| b | 13.414 ± 0.002 Å |
| c | 15.575 ± 0.002 Å |
| α | 90° |
| β | 100.734 ± 0.002° |
| γ | 90° |
| Cell volume | 2552.1 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0784 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.158 |
| Weighted residual factors for all reflections included in the refinement | 0.17 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.69 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4312764.cif |
| 179166 | 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 4/31/27. |
4312764.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312764.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312764.cif |
| 5827 | 2011-01-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4312764 via cif-deposit CGI script. |
4312764.cif |
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