Molecule:100755: Difference between revisions

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molecule
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{{Molecule
{{Molecule
|abbrev=[Fe(pabop)Cl2][CLO4]
|abbrev=[Fe(pabop)Cl2][CLO4]
|molecularFormula=
|molecularFormula=C<sub>15</sub>H<sub>23</sub>Cl<sub>3</sub>FeN<sub>5</sub>O<sub>4</sub>
|molecularMass=
|molecularMass=498.016499756
|moleculeKey=XTLBRFNUSVMBAM-DQIPMIPLSA-K
|moleculeKey=XTLBRFNUSVMBAM-DQIPMIPLSA-K
|molOrRxn=
|molOrRxn=
   -INDIGO-02262415032D
   -INDIGO-05172314152D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  0  0  0  0  0  0  0  0  0  0 V3000
M  V30 BEGIN CTAB
M  V30 BEGIN CTAB
M  V30 COUNTS 28 30 0 0 0
M  V30 COUNTS 28 32 0 0 0
M  V30 BEGIN ATOM
M  V30 BEGIN ATOM
M  V30 1 Cl 12.6 -2.85 0.0 0
M  V30 1 C 7.50985 -3.90007 0.0 0
M  V30 2 O 12.6 -3.85 0.0 0
M  V30 2 C 9.24015 -3.89959 0.0 0
M  V30 3 O 13.6 -2.85 0.0 0
M  V30 3 C 8.37664 -3.39997 0.0 0
M  V30 4 O 11.6 -2.85 0.0 0
M  V30 4 C 9.24015 -4.90053 0.0 0
M  V30 5 O 12.6 -1.85 0.0 0 CHG=-1
M  V30 5 C 7.50985 -4.90502 0.0 0
M  V30 6 C 7.50985 -3.90007 0.0 0
M  V30 6 N 8.37882 -5.40003 0.0 0
M  V30 7 C 9.24015 -3.89959 0.0 0
M  V30 7 C 6.64382 -5.40502 0.0 0
M  V30 8 C 8.37664 -3.39997 0.0 0
M  V30 8 N 6.64382 -6.40502 0.0 0
M  V30 9 C 9.24015 -4.90053 0.0 0
M  V30 9 C 5.7778 -4.90502 0.0 0
M  V30 10 C 7.50985 -4.90502 0.0 0
M  V30 10 C 10.1062 -5.40053 0.0 0
M  V30 11 N 8.37882 -5.40003 0.0 0
M  V30 11 N 10.1062 -6.40053 0.0 0
M  V30 12 C 6.64382 -5.40502 0.0 0
M  V30 12 C 10.9722 -4.90053 0.0 0
M  V30 13 N 6.64382 -6.40502 0.0 0
M  V30 13 N 7.375 -7.625 0.0 0
M  V30 14 C 5.7778 -4.90502 0.0 0
M  V30 14 N 9.275 -7.6 0.0 0
M  V30 15 C 10.1062 -5.40053 0.0 0
M  V30 15 C 6.1028 -7.18002 0.0 0
M  V30 16 N 10.1062 -6.40053 0.0 0
M  V30 16 C 6.45907 -7.70882 0.0 0
M  V30 17 C 10.9722 -4.90053 0.0 0
M  V30 17 C 7.875 -8.49102 0.0 0
M  V30 18 N 7.375 -7.625 0.0 0
M  V30 18 C 8.775 -8.46603 0.0 0
M  V30 19 N 9.275 -7.6 0.0 0
M  V30 19 C 10.2409 -7.70882 0.0 0
M  V30 20 C 6.1028 -7.18002 0.0 0
M  V30 20 C 10.5312 -7.21656 0.0 0
M  V30 21 C 6.45907 -7.70882 0.0 0
M  V30 21 Fe 8.35 -6.5 0.0 0 CHG=3
M  V30 22 C 7.875 -8.49102 0.0 0
M  V30 22 Cl 7.64289 -5.79289 0.0 0 CHG=-1
M  V30 23 C 8.775 -8.46603 0.0 0
M  V30 23 Cl 9.05711 -5.79289 0.0 0 CHG=-1
M  V30 24 C 10.2409 -7.70882 0.0 0
M  V30 24 Cl 12.6 -2.85 0.0 0
M  V30 25 C 10.5312 -7.21656 0.0 0
M  V30 25 O 12.6 -3.85 0.0 0
M  V30 26 Fe 8.35 -6.5 0.0 0 CHG=3
M  V30 26 O 13.6 -2.85 0.0 0
M  V30 27 Cl 13.225 -5.55 0.0 0 CHG=-1
M  V30 27 O 11.6 -2.85 0.0 0
M  V30 28 Cl 13.175 -7.0 0.0 0 CHG=-1
M  V30 28 O 12.6 -1.85 0.0 0 CHG=-1
M  V30 END ATOM
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 1 2 3 1
M  V30 2 2 1 3
M  V30 2 2 4 2
M  V30 3 2 1 4
M  V30 3 1 1 5
M  V30 4 1 1 5
M  V30 4 1 2 3
M  V30 5 2 8 6
M  V30 5 2 5 6
M  V30 6 2 9 7
M  V30 6 1 6 4
M  V30 7 1 6 10
M  V30 7 1 5 7
M  V30 8 1 7 8
M  V30 8 2 7 8
M  V30 9 2 10 11
M  V30 9 1 7 9
M  V30 10 1 11 9
M  V30 10 1 4 10
M  V30 11 1 10 12
M  V30 11 2 10 11
M  V30 12 2 12 13
M  V30 12 1 10 12
M  V30 13 1 12 14
M  V30 13 1 8 15
M  V30 14 1 9 15
M  V30 14 1 13 16
M  V30 15 2 15 16
M  V30 15 1 16 15
M  V30 16 1 15 17
M  V30 16 1 13 17
M  V30 17 1 13 20
M  V30 17 1 14 18
M  V30 18 1 18 21
M  V30 18 1 17 18
M  V30 19 1 21 20
M  V30 19 1 14 19
M  V30 20 1 18 22
M  V30 20 1 11 20
M  V30 21 1 19 23
M  V30 21 1 20 19
M  V30 22 1 22 23
M  V30 22 10 6 21
M  V30 23 1 19 24
M  V30 23 10 13 21
M  V30 24 1 16 25
M  V30 24 10 14 21
M  V30 25 1 25 24
M  V30 25 10 11 21
M  V30 26 10 11 26
M  V30 26 10 8 21
M  V30 27 10 18 26
M  V30 27 10 21 22
M  V30 28 10 19 26
M  V30 28 10 21 23
M  V30 29 10 16 26
M  V30 29 2 24 25
M  V30 30 10 13 26
M  V30 30 2 24 26
M  V30 31 2 24 27
M  V30 32 1 24 28
M  V30 END BOND
M  V30 END BOND
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
 
|smiles=C1C2C(C)=N3[Fe+3]([Cl-])([Cl-])456N(CCN4CCN5CC3)=C(C)C(N=26)=CC=1.Cl([O-])(=O)(=O)=O
|smiles=C1C2C(C)=N3[Fe+3]456N(CCN4CCN5CC3)=C(C)C(N=26)=CC=1.Cl([O-])(=O)(=O)=O.[Cl-].[Cl-]
|inchi=1S/C15H23N5.ClHO4.2ClH.Fe/c1-12-14-4-3-5-15(20-14)13(2)19-11-9-17-7-6-16-8-10-18-12;2-1(3,4)5;;;/h3-5,16-17H,6-11H2,1-2H3;(H,2,3,4,5);2*1H;/q;;;;+3/p-3/b18-12+,19-13+;;;;
|inchi=1S/C15H23N5.ClHO4.2ClH.Fe/c1-12-14-4-3-5-15(20-14)13(2)19-11-9-17-7-6-16-8-10-18-12;2-1(3,4)5;;;/h3-5,16-17H,6-11H2,1-2H3;(H,2,3,4,5);2*1H;/q;;;;+3/p-3/b18-12+,19-13+;;;;
|inchikey=XTLBRFNUSVMBAM-DQIPMIPLSA-K
|inchikey=XTLBRFNUSVMBAM-DQIPMIPLSA-K

Latest revision as of 09:58, 22 May 2024

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Properties
CID n/a
CAS n/a
IUPAC-Name n/a
Abbreviation [Fe(pabop)Cl2][CLO4]
Trivialname n/a
Exact mass 498.016499756
Molecular formula C15H23Cl3FeN5O4
LogP n/a
Has vendors n/a
Molecular role n/a
Synonyms n/a

[Fe(pabop)Cl2][CLO4]


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‎

Molecule is used on following pages

topic
publication
investigation

Molecule roles

Investigation type Catalyst
Photocatalytic CO2 conversion experiments
Cyclic Voltammetry experiments
Absorption Emission Spectroscopy experiments
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