Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7041844
Preview
Coordinates | 7041844.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H87 Cr2 N6 Na3 |
---|---|
Calculated formula | C37 H87 Cr2 N6 Na3 |
SMILES | [Cr]1234[Cr]567[CH3]8[Na]9([CH3]1[Na]1%108([CH3]2[Na]2([CH3]51)([CH3]3)([CH3]6)[N](C)(C)[C@@H]1CCCC[C@H]1[N]2(C)C)[N]([C@H]1[C@H]([N]%10(C)C)CCCC1)(C)C)([CH3]47)[N](C)(C)[C@@H]1CCCC[C@H]1[N]9(C)C |
Title of publication | Contrasting the group 6 metal-metal bonding in sodium dichromate(ii) and sodium dimolybdate(ii) polymethyl complexes: synthetic, X-ray crystallographic and theoretical studies. |
Authors of publication | Campbell, Ross; Kennedy, Alan R.; McLellan, Ross; Robertson, Stuart D.; Sproules, Stephen; Mulvey, Robert E. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 17 |
Pages of publication | 5650 - 5659 |
a | 12.0585 ± 0.0003 Å |
b | 15.7116 ± 0.0005 Å |
c | 12.5776 ± 0.0004 Å |
α | 90° |
β | 103.98 ± 0.003° |
γ | 90° |
Cell volume | 2312.35 ± 0.12 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0308 |
Residual factor for significantly intense reflections | 0.0282 |
Weighted residual factors for significantly intense reflections | 0.065 |
Weighted residual factors for all reflections included in the refinement | 0.0667 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7041844.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.