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Information card for entry 4340737
Preview
| Coordinates | 4340737.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H41 F6 N8 O5 P Zn2 |
|---|---|
| Calculated formula | C37 H41 F6 N8 O5 P Zn2 |
| SMILES | c1cccc2C[N]34Cc5cccc[n]5[Zn]564([n]12)[O]1c2c(C3)cc(C)cc2C[N]23Cc4cccc([n]4[Zn]13([n]1c(cccc1C2)N)([O]=C(C)O5)OC(C)=[O]6)N.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Dinuclear Zinc(II) Complexes with Hydrogen Bond Donors as Structural and Functional Phosphatase Models. |
| Authors of publication | Bosch, Simone; Comba, Peter; Gahan, Lawrence R.; Schenk, Gerhard |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 17 |
| Pages of publication | 9036 - 9051 |
| a | 11.1444 ± 0.0006 Å |
| b | 17.0144 ± 0.0009 Å |
| c | 20.6731 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3919.9 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0629 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.1263 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179510 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/07. |
4340737.cif |
| 122957 | 2014-09-06 | cif/ Updating files of 4340733, 4340734, 4340735, 4340736, 4340737, 4340738 Original log message: Adding full bibliography for 4340733--4340738.cif. |
4340737.cif |
| 122031 | 2014-08-18 | cif/ Adding structures of 4340734, 4340735, 4340736, 4340737, 4340738 via cif-deposit CGI script. |
4340737.cif |
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Users of the data should acknowledge the original authors of the
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