Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4089510
Preview
Coordinates | 4089510.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H27 B9 Mo O2 S |
---|---|
Calculated formula | C17 H27 B9 Mo O2 S |
SMILES | [Mo]123456(C#[O])([CH]789[BH]%10%11%12[CH]%1317[B]172([S](C)C)[BH]2%143[BH]3%151[BH]1%162[BH]58%14[BH]9%12%16[BH]%1031[BH]%11%137%15)(C#[O])[cH]1[cH]4c2c(c(ccc2C)C)[cH]61 |
Title of publication | Toward the Synthesis of Indenyl Molybdenum Compound [(η3-Ind)(η5-Cp)Mo(CO)2]: Modified Compounds and Structure of a Previously Unrecognized Intermediate |
Authors of publication | Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Lodinský, Jakub; Dostál, Libor; Padělková, Zdeňka |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 12 |
Pages of publication | 3502 |
a | 17.6009 ± 0.001 Å |
b | 8.481 ± 0.0003 Å |
c | 14.8301 ± 0.0009 Å |
α | 90° |
β | 95.912 ± 0.005° |
γ | 90° |
Cell volume | 2202 ± 0.2 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 6 |
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 | 0.0475 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0666 |
Weighted residual factors for all reflections included in the refinement | 0.0751 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
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/4089510.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.