Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4321278
Preview
Coordinates | 4321278.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H48 Cl N P2 Ru |
---|---|
Calculated formula | C25 H48 Cl N P2 Ru |
SMILES | [Ru]1(Cl)([n]2ccccc2C=C1)([P](C(C)C)(C(C)C)C(C)C)[P](C(C)C)(C(C)C)C(C)C |
Title of publication | Reactivity of [RuHCl(PiPr3)2]2 with Functionalized Vinyl Substrates. The H2 Ligand as a Sensitive Probe of Electronic Structure |
Authors of publication | Joseph N. Coalter; William E. Streib; Kenneth G. Caulton |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 3749 - 3756 |
a | 36.815 ± 0.003 Å |
b | 8.8104 ± 0.0005 Å |
c | 18.9973 ± 0.0012 Å |
α | 90° |
β | 115.515 ± 0.003° |
γ | 90° |
Cell volume | 5560.9 ± 0.7 Å3 |
Cell temperature | 109 K |
Ambient diffraction temperature | 109 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for all reflections included in the refinement | 0.0393 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0952 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179315 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/12. |
4321278.cif |
120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321278.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321278.cif |
18629 | 2011-05-03 | ../uploads/cif-deposit/cod/cif Adding structures of 4321278 via cif-deposit CGI script. |
4321278.cif |
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.