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Information card for entry 2210341
Preview
Coordinates | 2210341.cif |
---|---|
Structure factors | 2210341.hkl |
Original IUCr paper | HTML |
Chemical name | Tetra-μ-α-methylacrylato-bis[(methylacrylato)(1,10- phenanthroline)gadolinium(III)] dihydrate |
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Formula | C48 H50 Gd2 N4 O14 |
Calculated formula | C48 H50 Gd2 N4 O14 |
SMILES | c1ccc2c3[n]1[Gd]14567([n]8cccc(c38)cc2)([O]=C(O1)C(=C)C)[O]=C(C(=C)C)[O]7[Gd]123([O]4C(=[O]3)C(=C)C)([n]3cccc4ccc7ccc[n]1c7c34)([O]=C(O2)C(=C)C)([O]=C(C(=C)C)O6)[O]=C(C(=C)C)O5.O.O |
Title of publication | Tetra-μ-α-methacrylato-bis[(methacrylato)(1,10-phenanthroline)gadolinium(III)] dihydrate |
Authors of publication | Wu, Bin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 9 |
Pages of publication | m2084 - m2085 |
a | 10.783 ± 0.002 Å |
b | 10.894 ± 0.002 Å |
c | 11.628 ± 0.002 Å |
α | 69.59 ± 0.02° |
β | 77.14 ± 0.02° |
γ | 68.44 ± 0.02° |
Cell volume | 1183.6 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0337 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0751 |
Weighted residual factors for all reflections included in the refinement | 0.077 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2210341.html
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Users of the data should acknowledge the original authors of the
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