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Information card for entry 2230309
Preview
| Coordinates | 2230309.cif |
|---|---|
| Structure factors | 2230309.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')terbate(III) |
|---|---|
| Formula | C36 H24 Cl Cu N10 O12 Tb |
| Calculated formula | C36 H24 Cl Cu N10 O12 Tb |
| SMILES | [Cu]12(Cl)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.[Tb]12345([O]=N(=O)O1)(ON(=[O]2)=O)(ON(=[O]3)=O)(ON(=[O]4)=O)[n]1cccc2ccc3ccc[n]5c3c12 |
| Title of publication | Chloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')terbate(III) |
| Authors of publication | Gao, Guo-Ran; Man, Hong-Xue; Xiao, Zhi-Chang; Deng, Yu-Heng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m787 - m788 |
| a | 10.1556 ± 0.0001 Å |
| b | 13.4799 ± 0.0002 Å |
| c | 14.771 ± 0.0002 Å |
| α | 81.103 ± 0.001° |
| β | 75.631 ± 0.001° |
| γ | 84.465 ± 0.001° |
| Cell volume | 1931.71 ± 0.04 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0568 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.0779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181225 (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 2/23/03. |
2230309.cif 2230309.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. |
2230309.cif 2230309.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230309.cif 2230309.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. | 2230309.cif 2230309.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230309.cif 2230309.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230309.cif 2230309.hkl |
| 22284 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230309 via cif-deposit CGI script. |
2230309.cif |
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