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Information card for entry 2233211
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| Coordinates | 2233211.cif |
|---|---|
| Structure factors | 2233211.hkl |
| Original IUCr paper | HTML |
| Common name | Corrphycene |
|---|---|
| Chemical name | (12,17-Diethoxycarbonyl-11,18-dimethyl-2,3:6,7- dibutanocorrphycenato)copper(II)‒12,17-diethoxycarbonyl-11,18-dimethyl- 2:3,6:7-dibutanocorrphycene (3/97) |
| Formula | C36 H37.93 Cu0.03 N4 O4 |
| Calculated formula | C36 H37.9316 Cu0.0342 N4 O4 |
| Title of publication | (12,17-Diethoxycarbonyl-11,18-dimethyl-2,3:6,7-dibutanocorrphycenato)copper(II)‒12,17-diethoxycarbonyl-11,18-dimethyl-2:3,6:7-dibutanocorrphycene (3/97) |
| Authors of publication | Ohgo, Yoshiki; Yokoyama, Yuki; Hashizume, Daisuke; Neya, Saburo; Nakamura, Mikio |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m23 - m24 |
| a | 8.8759 ± 0.0005 Å |
| b | 13.2493 ± 0.0008 Å |
| c | 13.2891 ± 0.0007 Å |
| α | 108.496 ± 0.002° |
| β | 90.708 ± 0.002° |
| γ | 98.142 ± 0.002° |
| Cell volume | 1464.39 ± 0.14 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 | 0.1389 |
| Residual factor for significantly intense reflections | 0.0722 |
| Weighted residual factors for significantly intense reflections | 0.1986 |
| Weighted residual factors for all reflections included in the refinement | 0.2459 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181254 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/32. |
2233211.cif 2233211.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233211.cif 2233211.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233211.cif 2233211.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. | 2233211.cif 2233211.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233211.cif 2233211.hkl |
| 32270 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233211 via cif-deposit CGI script. |
2233211.cif |
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Users of the data should acknowledge the original authors of the
structural data.