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Information card for entry 7027344
Preview
Coordinates | 7027344.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H96 N8 O8 Zr2 |
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Calculated formula | C40 H96 N8 O8 Zr2 |
SMILES | [Zr]1234([OH][Zr]([O]1[C@H](C[N]2(C)C)CN(C)C)([O]3[C@@H](C[N]4(C)C)CN(C)C)(OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(OC(CN(C)C)CN(C)C)OC(CN(C)C)CN(C)C |
Title of publication | Zirconium mixed ligand isopropoxide/aminoalkoxide complexes: crystal structures of [Zr2(OPri)6(L)2] and [Zr2(OBut)3(bdmap)4(OH)] {where L = dmap, 1-dimethylaminopropan-2-olate and bdmap, 1,1-bis(dimethylamino)propan-2-olate} |
Authors of publication | Fleeting, Kirsty A.; O’Brien, Paul; Jones, Anthony C.; Otway, David J.; White, Andrew J. P.; Williams, David J. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 16 |
Pages of publication | 2853 |
a | 20.949 ± 0.002 Å |
b | 12.276 ± 0.002 Å |
c | 23.485 ± 0.003 Å |
α | 90° |
β | 111.494 ± 0.007° |
γ | 90° |
Cell volume | 5619.6 ± 1.3 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0729 |
Residual factor for significantly intense reflections | 0.0454 |
Weighted residual factors for all reflections | 0.1083 |
Weighted residual factors for significantly intense reflections | 0.095 |
Goodness-of-fit parameter for all reflections | 1.032 |
Goodness-of-fit parameter for significantly intense reflections | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7027344.html
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