Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7005297
Preview
Coordinates | 7005297.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H72 Li2 Mn2 N18 |
---|---|
Calculated formula | C42 H72 Li2 Mn2 N18 |
Title of publication | Stepwise nucleophilic substitution of manganocene, syntheses and structures of the dimer [CpMn(hpp)]2 and the unusual manganate cage [LiMn(hpp)3]2 (hppH = 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2,a]pyrimidine). |
Authors of publication | Brinkmann, Christine; García, Felipe; Morey, James V.; McPartlin, Mary; Singh, Sanjay; Wheatley, Andrew E. H.; Wright, Dominic S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 16 |
Pages of publication | 1570 - 1572 |
a | 14.668 ± 0.003 Å |
b | 18.026 ± 0.004 Å |
c | 18.697 ± 0.004 Å |
α | 90° |
β | 107.01 ± 0.03° |
γ | 90° |
Cell volume | 4727.3 ± 1.9 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0767 |
Residual factor for significantly intense reflections | 0.0521 |
Weighted residual factors for significantly intense reflections | 0.1064 |
Weighted residual factors for all reflections included in the refinement | 0.1142 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/7005297.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.