 |
3G0 : Summary
Code 
|
3G0
|
One-letter code
|
X
|
Molecule name
|
tetracyanoplatinate(II)
|
Systematic names
|
|
Formula
|
C4 N4 Pt
|
Formal charge
|
-2
|
Molecular weight
|
299.148 Da
|
SMILES
|
| Type | Program | Version | Descriptor |
|---|
|
SMILES
|
ACDLabs |
12.01 |
N#C[Pt-2](C#N)(C#N)C#N |
|
SMILES
|
CACTVS |
3.385 |
N#C[Pt--](C#N)(C#N)C#N |
|
SMILES
|
OpenEye OEToolkits |
1.7.6 |
C(#N)[Pt-2](C#N)(C#N)C#N |
|
Canonical SMILES
|
CACTVS |
3.385 |
N#C[Pt--](C#N)(C#N)C#N |
|
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
C(#N)[Pt-2](C#N)(C#N)C#N |
|
IUPAC InChI | InChI=1S/4CN.Pt/c4*1-2;/q;;;;-2 |
IUPAC InChI key | YGIVBGPIGPIOSX-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
9 (9 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2014-08-12
|
Last modified at
|
2020-06-17
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|
|
3G0 : Atoms of Molecule
Total Number of Atoms: 9
| Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
| 1 |
C1 |
C |
C1 |
N |
N |
N |
0 |
1.755 |
0.0 |
1.241 |
| 2 |
N1 |
N |
N1 |
N |
N |
N |
0 |
2.683 |
0.0 |
1.897 |
| 3 |
C2 |
C |
C2 |
N |
N |
N |
0 |
0.0 |
-1.755 |
-1.241 |
| 4 |
PT |
PT |
PT |
N |
N |
N |
-2 |
0.0 |
0.0 |
0.0 |
| 5 |
N2 |
N |
N2 |
N |
N |
N |
0 |
0.0 |
-2.683 |
-1.897 |
| 6 |
C3 |
C |
C3 |
N |
N |
N |
0 |
-1.755 |
0.0 |
1.241 |
| 7 |
N3 |
N |
N3 |
N |
N |
N |
0 |
-2.683 |
0.0 |
1.897 |
| 8 |
C4 |
C |
C4 |
N |
N |
N |
0 |
0.0 |
1.755 |
-1.241 |
| 9 |
N4 |
N |
N4 |
N |
N |
N |
0 |
0.0 |
2.683 |
-1.897 |
3G0 : Chemical Bonds
Total Number of Bonds: 8
| Record |
First Atom |
Second Atom |
First Element |
Second Element |
Bond Order Type |
Bond Length |
Bond Stereochemistry |
Is Aromatic |
| 1 |
N3 |
C3 |
N |
C |
trip |
1.14 |
N |
N |
| 2 |
C3 |
PT |
C |
PT |
sing |
2.15 |
N |
N |
| 3 |
PT |
C2 |
PT |
C |
sing |
2.15 |
N |
N |
| 4 |
PT |
C4 |
PT |
C |
sing |
2.15 |
N |
N |
| 5 |
PT |
C1 |
PT |
C |
sing |
2.15 |
N |
N |
| 6 |
C2 |
N2 |
C |
N |
trip |
1.14 |
N |
N |
| 7 |
C4 |
N4 |
C |
N |
trip |
1.14 |
N |
N |
| 8 |
C1 |
N1 |
C |
N |
trip |
1.14 |
N |
N |
3G0 : Used in PDB Entries
Total Number of PDB Entries: 1
| Ligand Code |
PDB Entry ID |
Type |
Total |
Distinct |
| 3G0 |
6ig4  |
Bound ligand
|
3 |
1 |
|
Protein Data Bank 
