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Information card for entry 2017803
Preview
| Coordinates | 2017803.cif |
|---|---|
| Structure factors | 2017803.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{μ-2-[(2-carbamoylhydrazin-1-ylidene)methyl]phenolato}bis[chloridozinc(II)] methanol disolvate |
|---|---|
| Formula | C18 H24 Cl2 N6 O6 Zn2 |
| Calculated formula | C18 H24 Cl2 N6 O6 Zn2 |
| SMILES | C1(N[N]2[Zn]3([O]=1)([O](c1c(C=2)cccc1)[Zn]12([N](=Cc4c(cccc4)[O]32)NC(N)=[O]1)Cl)Cl)N.OC.CO |
| Title of publication | Bis{μ-2-[(2-carbamoylhydrazin-1-ylidene)methyl]phenolato}bis[chloridozinc(II)] methanol disolvate, with non-aromatic‒aromatic π‒π stacking and N—H···Cl—Zn hydrogen bonding |
| Authors of publication | Wang, Jing-lin; Liu, Bin; Yang, Bin-sheng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m280 - m282 |
| a | 6.9061 ± 0.0008 Å |
| b | 8.3585 ± 0.0012 Å |
| c | 11.7666 ± 0.0016 Å |
| α | 75.066 ± 0.001° |
| β | 80.565 ± 0.002° |
| γ | 76.003 ± 0.001° |
| Cell volume | 633.04 ± 0.15 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0781 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1363 |
| Weighted residual factors for all reflections included in the refinement | 0.1462 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180847 (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 2/01/78. |
2017803.cif 2017803.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. |
2017803.cif 2017803.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017803.cif 2017803.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. | 2017803.cif 2017803.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017803.cif 2017803.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2017803.cif 2017803.hkl |
| 4111 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 2017803 via cif-deposit CGI script. |
2017803.cif |
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Users of the data should acknowledge the original authors of the
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