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Information card for entry 4503540
Preview
Coordinates | 4503540.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H78 F Mo6 N3 O18 |
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Calculated formula | C38.75 H70 F Mo6 N3 O18 |
Title of publication | Synthesis, Crystal Structure, Spectroscopic, and Herbicidal Activity Studies of a Series of Designed Fluoro-Functionalized Phenylimido Derivatives of Hexametalate Cluster |
Authors of publication | Xue, Sijia; Xiang, Changsheng; Wei, Yongge; Tao, Zhenwei; Chai, An; Bian, Wangdong; Xu, Zhu |
Journal of publication | Crystal Growth & Design |
Year of publication | 2008 |
Journal volume | 8 |
Journal issue | 7 |
Pages of publication | 2437 |
a | 24.886 ± 0.003 Å |
b | 37.785 ± 0.005 Å |
c | 12.265 ± 0.0016 Å |
α | 90° |
β | 96.306 ± 0.003° |
γ | 90° |
Cell volume | 11463 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1771 |
Residual factor for significantly intense reflections | 0.0853 |
Weighted residual factors for significantly intense reflections | 0.1916 |
Weighted residual factors for all reflections included in the refinement | 0.2309 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179569 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/35. |
4503540.cif |
120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503540.cif |
41618 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503540 via cif-deposit CGI script. |
4503540.cif |
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Users of the data should acknowledge the original authors of the
structural data.