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Information card for entry 4309445
Preview
Coordinates | 4309445.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H128 B4 Eu K2 O8 |
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Calculated formula | C64 H128 B4 Eu K2 O8 |
SMILES | [B]12([H][Eu]345([H]2)([H][B]2(C6CCCC2CCC6)[H]4)([H][B]2(C4CCCC2CCC4)[H]5)[H][B]2(C4CCCC2CCC4)[H]3)C2CCCC1CCC2.[K]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[K]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
Title of publication | Europium(II) and Ytterbium(II) Cyclic Organohydroborates with Agostic Interactions |
Authors of publication | Xuenian Chen; Soyoung Lim; Christine E. Plečnik; Shengming Liu; Bin Du; Edward A. Meyers; Sheldon G. Shore |
Journal of publication | Inorganic Chemistry |
Year of publication | 2005 |
Journal volume | 44 |
Pages of publication | 6052 - 6061 |
a | 13.439 ± 0.001 Å |
b | 13.439 ± 0.001 Å |
c | 20.4214 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3688.2 ± 0.4 Å3 |
Cell temperature | 240 ± 2 K |
Ambient diffraction temperature | 240 ± 2 K |
Number of distinct elements | 6 |
Space group number | 137 |
Hermann-Mauguin space group symbol | P 42/n m c :2 |
Hall space group symbol | -P 4ac 2a |
Residual factor for all reflections | 0.0641 |
Residual factor for significantly intense reflections | 0.0452 |
Weighted residual factors for significantly intense reflections | 0.1383 |
Weighted residual factors for all reflections included in the refinement | 0.1553 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
265253 (current) | 2021-05-16 | cif/4 Fixing Z values and formulae |
4309445.cif |
176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4309445.cif |
120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309445.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309445.cif |
1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309445.cif |
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Users of the data should acknowledge the original authors of the
structural data.