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Information card for entry 4310864
Preview
| Coordinates | 4310864.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H36 Cu2 N5 O12 Pb |
|---|---|
| Calculated formula | C36 H36 Cu2 N5 O12 Pb |
| SMILES | [Pb]12([O]3[Cu]45[O]1c1c(OC)cccc1C=[N]5CC[N]4=Cc1c3c(ccc1)OC)([O]1[Cu]34[O]2c2c(OC)cccc2C=[N]4CC[N]3=Cc2c1c(ccc2)OC)ON(=O)=O.O |
| Title of publication | Toward Rational Control of Metal Stoichiometry in Heterobimetallic Coordination Complexes: Synthesis and Characterization of Pb(Hsal)2(Cu(salen*))2, [Pb(NO3)(Cu(salen*))2](NO3), Pb(OAc)2(Cu(salen*)), and [Pb(OAc)(Ni(salen*))2](OAc) |
| Authors of publication | John H. Thurston; Christopher G.-Z. Tang; Daniel W. Trahan; Kenton H. Whitmire |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 2708 - 2713 |
| a | 22.868 ± 0.005 Å |
| b | 15.543 ± 0.003 Å |
| c | 23.434 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8329 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0847 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.2004 |
| Weighted residual factors for all reflections included in the refinement | 0.2278 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179147 (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 4/31/08. |
4310864.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310864.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310864.cif |
| 2356 | 2010-11-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4310864 via cif-deposit CGI script. |
4310864.cif |
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