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Information card for entry 2233257
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| Coordinates | 2233257.cif |
|---|---|
| Structure factors | 2233257.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[zinc-tris(μ-dimethylcarbamato-κ^2^<i>O</i>:<i>O</i>')- zinc-μ-(2-phenylbenzimidazolido-κ^2^<i>N</i>:<i>N</i>'] |
|---|---|
| Formula | C22 H27 N5 O6 Zn2 |
| Calculated formula | C22 H27 N5 O6 Zn2 |
| SMILES | [Zn]12[O]=C(N(C)C)O[Zn]([O]=C(O2)N(C)C)([O]=C(O1)N(C)C)[n]1c(c2ccccc2)[n](c2ccccc12)[Zn]12[O]=C(N(C)C)O[Zn]([O]=C(O2)N(C)C)([O]=C(O1)N(C)C)[n]1c(c2ccccc2)[n]c2ccccc12 |
| Title of publication | <i>catena</i>-Poly[zinc-tris(μ-dimethylcarbamato-κ^2^<i>O</i>:<i>O</i>')-zinc-μ-(2-phenylbenzimidazolido-κ^2^<i>N</i>:<i>N</i>'] |
| Authors of publication | Rodriguez, Mark A.; Sava, Dorina F.; Nenoff, Tina M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m59 - m60 |
| a | 9.0521 ± 0.0013 Å |
| b | 9.0521 ± 0.0013 Å |
| c | 52.47 ± 0.011 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3723.4 ± 1.1 Å3 |
| Cell temperature | 188 ± 2 K |
| Ambient diffraction temperature | 188 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 152 |
| Hermann-Mauguin space group symbol | P 31 2 1 |
| Hall space group symbol | P 31 2" |
| Residual factor for all reflections | 0.0318 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections included in the refinement | 0.0586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| 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. |
2233257.cif 2233257.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. |
2233257.cif 2233257.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233257.cif 2233257.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. | 2233257.cif 2233257.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233257.cif 2233257.hkl |
| 32318 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233257 via cif-deposit CGI script. |
2233257.cif |
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Users of the data should acknowledge the original authors of the
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