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Information card for entry 4309037
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| Coordinates | 4309037.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(N-phenyl-diethanolamine)germanium toluene solvate |
|---|---|
| Formula | C27 H34 Ge N2 O4 |
| Calculated formula | C27 H34 Ge N2 O4 |
| SMILES | [Ge]123(OCCN(CCO1)c1ccccc1)[N](CCO2)(CCO3)c1ccccc1.c1(ccccc1)C |
| Title of publication | Synthesis, X-ray Diffraction Studies, and DFT Calculations on Hexacoordinated Germanium Derivatives: The Case of Germaspirobis(ocanes) |
| Authors of publication | Sergey S. Karlov; Elmira Kh. Lermontova; Maxim V. Zabalov; Anastasia A. Selina; Andrei V. Churakov; Judith A. K. Howard; Mikhail Yu. Antipin; Galina S. Zaitseva |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 4879 - 4886 |
| a | 17.0253 ± 0.0007 Å |
| b | 18.4791 ± 0.0007 Å |
| c | 17.4343 ± 0.0007 Å |
| α | 90° |
| β | 118.135 ± 0.001° |
| γ | 90° |
| Cell volume | 4836.9 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0718 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.102 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179128 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/90. |
4309037.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309037.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309037.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). |
4309037.cif |
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