Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4077887
Preview
Coordinates | 4077887.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [{Y(OH)(C5H3(SiMe3)2)2}2] |
---|---|
Formula | C44 H86 O2 Si8 Y2 |
Calculated formula | C44 H86 O2 Si8 Y2 |
SMILES | [Y]123456789([c]%10([cH]1[c]7([cH]8[cH]2%10)[Si](C)(C)C)[Si](C)(C)C)([c]1([cH]3[cH]4[c]9([cH]61)[Si](C)(C)C)[Si](C)(C)C)[OH][Y]12346789([OH]5)([c]5([cH]1[c]2([cH]3[cH]45)[Si](C)(C)C)[Si](C)(C)C)[c]1([cH]7[c]8([cH]9[cH]61)[Si](C)(C)C)[Si](C)(C)C |
Title of publication | Syntheses and Structures of the Crystalline, Highly Crowded 1,3-Bis(trimethylsilyl)cyclopentadienyls [MCp″3] (M = Y, Er, Yb), [PbCp″2], [{YCp″2(μ-OH)}2], [(ScCp″2)2(μ-η2:η2-C2H4)], [YbCp″2Cl(μ-Cl)K(18-crown-6)], and [{KCp″}∞] |
Authors of publication | Coles, Martyn P.; Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 7 |
Pages of publication | 2682 |
a | 12.0772 ± 0.0003 Å |
b | 15.792 ± 0.0006 Å |
c | 15.5361 ± 0.0006 Å |
α | 90° |
β | 100.045 ± 0.002° |
γ | 90° |
Cell volume | 2917.67 ± 0.17 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0742 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.0806 |
Weighted residual factors for all reflections included in the refinement | 0.0897 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4077887.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.