Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4075629
Preview
Coordinates | 4075629.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H44 B9 Mn N O6 P2 Rh |
---|---|
Calculated formula | C49 H44 B9 Mn N O6 P2 Rh |
SMILES | [Rh]123456([Mn]([H][B]782[BH]295[BH]5%104[C]41([BH]1%113[BH]368[BH]672[BH]2%113[BH]541[BH]9%1062)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O].P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Construction of Metal Butterflies on a Metallacarborane Scaffold. 1. Synthesis and Structures of Bimetallic Precursors§ |
Authors of publication | McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Lu, Xiu Lian; Stone, F. Gordon A. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 19 |
Pages of publication | 4444 |
a | 10.2676 ± 0.0011 Å |
b | 28.011 ± 0.002 Å |
c | 17.3581 ± 0.0019 Å |
α | 90° |
β | 99.232 ± 0.004° |
γ | 90° |
Cell volume | 4927.6 ± 0.8 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 8 |
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 | 0.1354 |
Residual factor for significantly intense reflections | 0.0605 |
Weighted residual factors for significantly intense reflections | 0.0983 |
Weighted residual factors for all reflections included in the refinement | 0.1168 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
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/4075629.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.