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Molecule
Hexadecacarbonylhexarhodium
CAS: 28407-51-4 · C16O16Rh6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 28407-51-4
- Molecular Formula
- C16O16Rh6
- Molecular Mass
- 1065.60 g/mol
Identifiers
CAS Registry Number
28407-51-4
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 Key
ZJIDPTGOHQJOQZ-UHFFFAOYSA-N
InChI
InChI=1S/16CO.6Rh/c16*1-2;;;;;;/q;;;;;;;;;;;;4*-2;;;;;;+8
Names and Synonyms
- Hexadecacarbonylhexarhodium Common Name
- Rhodium, tetra-μ3-carbonyldodecacarbonylhexa-, octahedro Synonym
- Rhodium carbonyl (Rh6(CO)16) Synonym
- Hexarhodium hexadecacarbonyl Synonym
- Hexadecacarbonylhexarhodium Synonym
- octahedro-Tetra-μ3-carbonyldodecacarbonylhexarhodium Synonym
- Rh6(CO)16 Synonym
- Dodecacarbonyltetra-μ3-carbonylhexarhodium Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 1065.60 g/mol | CAS Common Chemistry |
| 1065.596 g/mol | RDKit | |
| 1099.868 g/mol | chempirical lib | |
| 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 |
| 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 |
| -4.896 | RDKit | |
| Molar Refractivity | 60.12600000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 1065.3516579199998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 1065.60 g/mol. Edit any field — others recompute live.
