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Information card for entry 2018347
Preview
| Coordinates | 2018347.cif |
|---|---|
| Structure factors | 2018347.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5,10,15,20-tetraphenylporphyrin-21,23-diium dichloride chloroform octasolvate |
|---|---|
| Formula | C52 H40 Cl26 N4 |
| Calculated formula | C52.002 H40.002 Cl26.006 N4 |
| 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 | 11.6031 ± 0.0003 Å |
| b | 12.6132 ± 0.0003 Å |
| c | 24.5118 ± 0.0006 Å |
| α | 87.706 ± 0.002° |
| β | 82.025 ± 0.002° |
| γ | 76.356 ± 0.002° |
| Cell volume | 3452.31 ± 0.15 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.122 |
| Residual factor for significantly intense reflections | 0.095 |
| Weighted residual factors for significantly intense reflections | 0.2435 |
| Weighted residual factors for all reflections included in the refinement | 0.2605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2018347.cif 2018347.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. |
2018347.cif 2018347.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018347.cif 2018347.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. | 2018347.cif 2018347.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2018347.cif 2018347.hkl |
| 32202 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2018347, 2018348 via cif-deposit CGI script. |
2018347.cif |
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