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Information card for entry 2018348
Preview
| Coordinates | 2018348.cif |
|---|---|
| Structure factors | 2018348.hkl |
| Original IUCr paper | HTML |
| Chemical name | (5,10,15,20-tetraphenylporphyrinato)copper(II) |
|---|---|
| Formula | C44 H28 Cu N4 |
| Calculated formula | C44 H28 Cu N4 |
| SMILES | [n]12c3=C(c4ccc5n4[Cu]42n2c(=C(c1cc3)c1ccccc1)ccc2=C(c1ccccc1)c1[n]4c(=C5c2ccccc2)cc1)c1ccccc1 |
| Title of publication | Influence of chloroform on crystalline products yielded in reactions of 5,10,15,20-tetraphenylporphyrin with HCl and copper(II) salts |
| Authors of publication | Aparici Plaza, Luis; Chojnacki, Jaroslaw |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m24 - m28 |
| a | 14.5813 ± 0.0012 Å |
| b | 8.6068 ± 0.0005 Å |
| c | 14.6191 ± 0.0011 Å |
| α | 90° |
| β | 118.56 ± 0.01° |
| γ | 90° |
| Cell volume | 1611.4 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0729 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1376 |
| Weighted residual factors for all reflections included in the refinement | 0.1474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180852 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/83. |
2018348.cif 2018348.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018348.cif 2018348.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018348.cif 2018348.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018348.cif 2018348.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2018348.cif 2018348.hkl |
| 32202 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2018347, 2018348 via cif-deposit CGI script. |
2018348.cif |
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Users of the data should acknowledge the original authors of the
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