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Information card for entry 2205018
Preview
Coordinates | 2205018.cif |
---|---|
Structure factors | 2205018.hkl |
Original IUCr paper | HTML |
Chemical name | Tetrakis(μ-N-acetyl-N-phenylglycinato-κ^2^O,O')bis[(N-acetyl-N- phenylglycinato-κ^3^O,O,O)(1,10-phenanthroline-κ^2^N,N')cerium(III)] dihydrate |
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Formula | C84 H80 Ce2 N10 O20 |
Calculated formula | C84 H80 Ce2 N10 O20 |
SMILES | N(CC1=[O][Ce]23456([n]7cccc8c7c7c(cc8)ccc[n]27)([O](C(=[O]4)CN(C(=O)C)c2ccccc2)[Ce]247([n]8cccc9c8c8[n]2cccc8cc9)([O]3C(=[O]4)CN(C(=O)C)c2ccccc2)([O]=C(O7)CN(C(=O)C)c2ccccc2)([O]=C(O6)CN(C(=O)C)c2ccccc2)OC(=[O]5)CN(C(=O)C)c2ccccc2)O1)(C(=O)C)c1ccccc1.O.O |
Title of publication | Tetrakis(μ-<i>N</i>-acetyl-<i>N</i>-phenylglycinato-κ^2^<i>O,O</i>')bis[(<i>N</i>-acetyl-<i>N</i>-phenylglycinato-κ^3^<i>O,O,O</i>)(1,10-phenanthroline-κ^2^<i>N,N</i>')cerium(III)] dihydrate |
Authors of publication | Fu, Ai-Yun; Fu, Shi-Zhou; Yu, Tao |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 2 |
Pages of publication | m223 - m225 |
a | 11.75 ± 0.006 Å |
b | 13.512 ± 0.007 Å |
c | 14.068 ± 0.007 Å |
α | 65.43 ± 0.006° |
β | 86.264 ± 0.007° |
γ | 81.663 ± 0.007° |
Cell volume | 2009.8 ± 1.8 Å3 |
Cell temperature | 571 ± 2 K |
Ambient diffraction temperature | 571 ± 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 | 0.0768 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1031 |
Weighted residual factors for all reflections included in the refinement | 0.1226 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2205018.html
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