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Hexadecacarbonylhexarhodium
CAS: 28407-51-4 | C16O16Rh6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
28407-51-4
Molecular Formula:
C16O16Rh6
Molecular Mass:
1065.60 g/mol
Names and Synonyms:
Hexadecacarbonylhexarhodium
Rhodium, tetra-μ3-carbonyldodecacarbonylhexa-, octahedro
Rhodium carbonyl (Rh6(CO)16)
Hexarhodium hexadecacarbonyl
Hexadecacarbonylhexarhodium
octahedro-Tetra-μ3-carbonyldodecacarbonylhexarhodium
Rh6(CO)16
Dodecacarbonyltetra-μ3-carbonylhexarhodium
Identifiers:
SMILES:
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-][O-].[C-][O-].[C-][O-].[C-][O-].[Rh+8].[Rh].[Rh].[Rh].[Rh].[Rh]
InChI:
InChI=1S/16CO.6Rh/c16*1-2;;;;;;/q;;;;;;;;;;;;4*-2;;;;;;+8
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 1065.60 g/mol | CAS Common Chemistry |
| 1065.596 g/mol | RDKit | |
| 1065.3516579199998 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hexadecacarbonylhexarhodium | CAS Common Chemistry |
| Canonical SMILES | O#C[Rh]12345(C#O)[C-2]6(=O)[Rh]7895(C#O)(C#O)[C-2]%10(=O)[Rh]%11%1249(C#O)(C#O)[C-2]1(=O)[Rh]%13%143%12(C#O)(C#O)[C-2]%15(=O)[Rh]627%13(C#O)(C#O)[Rh+8]%10%158%11%14(C#O)C#O | CAS Common Chemistry |
| InChI | InChI=1S/16CO.6Rh/c16*1-2;;;;;;/q;;;;;;;;;;;;4*-2;;;;;;+8 | CAS Common Chemistry |
| InChI Key | InChIKey=ZJIDPTGOHQJOQZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Rhodium, tetra-μ3-carbonyldodecacarbonylhexa-, octahedro | CAS Common Chemistry |
| Hexadecacarbonylhexarhodium | CAS Common Chemistry | |
| Heavy Atom Count | 38 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 331.04 Ų | RDKit |
| LogP | -4.895960000000002 | RDKit |
| Molar Refractivity | 60.12600000000001 | RDKit |
