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Information card for entry 7131405
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7131405.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H65 Cl8 F N2 O3 Os P3 |
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Calculated formula | C72 H66 Cl8 F N2 O3 Os P3 |
SMILES | [Os]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)N(N(C(=O)OCCC)C=C1C(O)C(=C2)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(F)cc1.ClCCl.ClCCl.ClCCl.[Cl-] |
Title of publication | Hetero-carbolong chemistry: experimental and theoretical studies of diaza-metallapentalenes. |
Authors of publication | Chu, Zhenwei; Li, Jinhua; Hua, Yuhui; Luo, Ming; Chen, Dafa; Xia, Haiping |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2023 |
Journal volume | 59 |
Journal issue | 28 |
Pages of publication | 4173 - 4176 |
a | 13.0268 ± 0.0007 Å |
b | 20.4321 ± 0.0011 Å |
c | 26.2852 ± 0.0012 Å |
α | 90° |
β | 97.885 ± 0.003° |
γ | 90° |
Cell volume | 6930.1 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0583 |
Residual factor for significantly intense reflections | 0.0429 |
Weighted residual factors for significantly intense reflections | 0.108 |
Weighted residual factors for all reflections included in the refinement | 0.1161 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7131405.html
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Users of the data should acknowledge the original authors of the
structural data.