Molecule:100776: Difference between revisions

InChI	1S/C36H54N8.3ClHO4.2Co.H2O/c1-4-31-22-32(5-1)26-38-11-17-44-19-13-40-28-34-7-2-6-33(23-34)27-39-12-18-43(16-10-37-25-31)20-14-41-29-35-8-3-9-36(24-35)30-42-15-21-44;32-1(3,4)5;;;/h1-9,22-24,37-42H,10-21,25-30H2;3(H,2,3,4,5);;;1H2/q;;;;2*+2;/p-4
InChI-Key	PWANXUIOGIXQEQ-UHFFFAOYSA-J
SMILES	C1C=CC2CN3[Co+2]45N(CC3)3CCN4CC4C=CC=C(CN6CCN78[Co+2]6(N(CC7)CC=1C=2)(N(CC8)CC1C=C(CN5CC3)C=CC=1)[OH-])C=4.O=Cl(=O)(=O)[O-].O=Cl(=O)(=O)[O-].O=Cl(=O)(=O)[O-]

Properties
CID	n/a
CAS	n/a
IUPAC-Name	n/a
Abbreviation	n/a
Trivialname	CoCo
Exact mass	1030.16180686
Molecular formula	C36H55Cl3Co2N8O13
LogP	n/a
Has vendors	n/a
Molecular role	catalyst
Synonyms	n/a

Latest revision as of 14:23, 13 December 2024

‎

CoCo

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

Molecule is used on following pages

topic

publication

A Dinuclear Cobalt Cryptate as a Homogeneous Photocatalyst for Highly Selective and Efficient Visible-Light Driven CO2 Reduction to CO in CH3CN-H2O Solution
Dinuclear Metal Synergistic Catalysis Boosts Photochemical CO2-to-CO Conversion

investigation

A Dinuclear Cobalt Cryptate as a Homogeneous Photocatalyst for Highly Selective and Efficient Visible-Light Driven CO2 Reduction to CO in CH3CN-H2O Solution/Best result and control experiments
Dinuclear Metal Synergistic Catalysis Boosts Photochemical CO2-to-CO Conversion/Table 1

Molecule roles

Investigation type	Catalyst
Photocatalytic CO2 conversion experiments	Best result and control experiments Table 1
Cyclic Voltammetry experiments

@@ Line 1: / Line 1: @@
 {{Molecule
-|trivialname=
+|trivialname=CoCo
-|abbrev=
+|molecular_role=catalyst
 |molecularFormula=C<sub>36</sub>H<sub>55</sub>Cl<sub>3</sub>Co<sub>2</sub>N<sub>8</sub>O<sub>13</sub>
 |molecularMass=1030.16180686
-|synonyms=
-|hasVendors=
 |moleculeKey=PWANXUIOGIXQEQ-UHFFFAOYSA-J
 |molOrRxn=
-   -INDIGO-07262317532D
+   -INDIGO-12132414072D
   0  0  0  0  0  0  0  0  0  0 V3000
@@ Line 14: / Line 12: @@
 M  V30 COUNTS 62 69 0 0 0
 M  V30 BEGIN ATOM
-M  V30 1 Co 5.825 -5.75 0.0 0 CHG=1
+M  V30 1 C -4.8173 3.0336 0.0 0
-M  V30 2 N 4.825 -5.75 0.0 0
+M  V30 2 C -4.8173 2.2086 0.0 0
-M  V30 3 C 4.325 -4.88397 0.0 0
+M  V30 3 C -4.1028 1.7961 0.0 0
-M  V30 4 C 5.03211 -4.17687 0.0 0
+M  V30 4 C -3.3883 2.2086 0.0 0
-M  V30 5 N 6.03211 -4.17687 0.0 0
+M  V30 5 C -3.3883 3.0336 0.0 0
-M  V30 6 C 4.325 -6.61603 0.0 0
+M  V30 6 C -4.1028 3.4461 0.0 0
-M  V30 7 C 4.825 -7.48205 0.0 0
+M  V30 7 C -4.8602 -0.0602 0.0 0
-M  V30 8 N 6.125 -7.45705 0.0 0
+M  V30 8 C -4.8602 -0.8852 0.0 0
-M  V30 9 C 3.95897 -6.25 0.0 0
+M  V30 9 C -4.1458 -1.2977 0.0 0
-M  V30 10 C 4.975 -6.75 0.0 0
+M  V30 10 C -3.4313 -0.8852 0.0 0
-M  V30 11 N 6.4 -6.725 0.0 0
+M  V30 11 C -3.4313 -0.0602 0.0 0
-M  V30 12 C 6.78395 -3.51752 0.0 0
+M  V30 12 C -4.1458 0.3523 0.0 0
-M  V30 13 C 7.73088 -3.53896 0.0 0
+M  V30 13 C -4.8602 -2.2086 0.0 0
-M  V30 14 C 8.5946 -2.03965 0.0 0
+M  V30 14 C -4.8602 -3.0336 0.0 0
-M  V30 15 C 7.73049 -2.53825 0.0 0
+M  V30 15 C -4.1458 -3.4461 0.0 0
-M  V30 16 C 9.46178 -2.53954 0.0 0
+M  V30 16 C -3.4313 -3.0336 0.0 0
-M  V30 17 C 8.60152 -4.04085 0.0 0
+M  V30 17 C -3.4313 -2.2086 0.0 0
-M  V30 18 C 9.46436 -3.53523 0.0 0
+M  V30 18 C -4.1458 -1.7961 0.0 0
-M  V30 19 C 10.4644 -3.53523 0.0 0
+M  V30 19 C -5.6852 -3.0336 0.0 0
-M  V30 20 N 11.3304 -4.03523 0.0 0
+M  V30 20 C -5.6852 -1.0141 0.0 0
-M  V30 21 C 7.27264 -7.21336 0.0 0
+M  V30 21 C -5.6423 2.2086 0.0 0
-M  V30 22 C 8.27264 -7.21336 0.0 0
+M  V30 22 N -6.7239 -2.1055 0.0 0
-M  V30 23 C 6.725 -8.39808 0.0 0
+M  V30 23 Co -6.5123 0.3165 0.0 0 CHG=2
-M  V30 24 C 7.875 -8.42308 0.0 0
+M  V30 24 O -5.134 0.9883 0.0 0 CHG=-1
-M  V30 25 C 9.13637 -5.71405 0.0 0
+M  V30 25 N -7.0676 -0.7734 0.0 0
-M  V30 26 C 8.27226 -6.21264 0.0 0
+M  V30 26 C -7.5489 -2.1055 0.0 0
-M  V30 27 C 10.0035 -6.21394 0.0 0
+M  V30 27 C -7.8926 -0.7734 0.0 0
-M  V30 28 C 9.14329 -7.71525 0.0 0
+M  V30 28 C -8.7434 -0.0859 0.0 0
-M  V30 29 C 10.0061 -7.20962 0.0 0
+M  V30 29 N -8.2708 0.3867 0.0 0
-M  V30 30 C 9.6053 -8.42143 0.0 0
+M  V30 30 C -8.4426 -0.9883 0.0 0
-M  V30 31 C 9.60597 -9.42237 0.0 0
+M  V30 31 C -8.6833 1.1012 0.0 0
-M  V30 32 C 7.87567 -9.42802 0.0 0
+M  V30 32 N -6.8958 1.5039 0.0 0
-M  V30 33 C 8.74498 -9.92245 0.0 0
+M  V30 33 C -8.1419 1.7617 0.0 0
-M  V30 34 C 11.0061 -7.20962 0.0 0
+M  V30 34 C -2.3395 -3.0336 0.0 0
-M  V30 35 C 10.7053 -8.39643 0.0 0
+M  V30 35 C -2.3395 -1.0141 0.0 0
-M  V30 36 N 11.4053 -7.60541 0.0 0
+M  V30 36 C -2.3825 2.2086 0.0 0
-M  V30 37 N 11.9632 -6.57752 0.0 0
+M  V30 37 N -1.3009 -2.1055 0.0 0
-M  V30 38 C 8.74145 -7.92239 0.0 0
+M  V30 38 Co -1.5125 0.3165 0.0 0 CHG=2
-M  V30 39 O 6.825 -5.75 0.0 0
+M  V30 39 N -0.9571 -0.7734 0.0 0
-M  V30 40 C 12.3304 -4.03523 0.0 0
+M  V30 40 C -0.4759 -2.1055 0.0 0
-M  V30 41 C 13.0375 -4.74233 0.0 0
+M  V30 41 C -0.1321 -0.7734 0.0 0
-M  V30 42 N 12.5375 -5.60836 0.0 0
+M  V30 42 C 0.7187 -0.0859 0.0 0
-M  V30 43 C 13.2375 -6.47438 0.0 0
+M  V30 43 N 0.246 0.3867 0.0 0
-M  V30 44 C 12.8537 -7.51531 0.0 0
+M  V30 44 C 0.4179 -0.9883 0.0 0
-M  V30 45 C 12.7132 -6.57752 0.0 0
+M  V30 45 C 0.6585 1.1012 0.0 0
-M  V30 46 C 13.4203 -5.84541 0.0 0
+M  V30 46 N -1.129 1.5039 0.0 0
-M  V30 47 Co 11.5375 -5.60836 0.0 0 CHG=2
+M  V30 47 C 0.1171 1.7617 0.0 0
-M  V30 48 Cl 15.242 -2.4 0.0 0
+M  V30 48 O 3.4778 3.0642 0.0 0
-M  V30 49 O 16.108 -1.9 0.0 0
+M  V30 49 Cl 3.4778 1.7149 0.0 0
-M  V30 50 O 14.376 -1.9 0.0 0
+M  V30 50 O 4.827 1.7149 0.0 0 CHG=-1
-M  V30 51 O 15.242 -3.4 0.0 0
+M  V30 51 O 2.1285 1.7149 0.0 0
-M  V30 52 O 16.108 -2.9 0.0 0 CHG=-1
+M  V30 52 O 3.4778 0.3657 0.0 0
-M  V30 53 Cl 16.05 -5.25 0.0 0
+M  V30 53 O 3.4512 -0.4803 0.0 0
-M  V30 54 O 16.916 -4.75 0.0 0
+M  V30 54 Cl 3.4512 -1.8295 0.0 0
-M  V30 55 O 15.184 -4.75 0.0 0
+M  V30 55 O 4.8004 -1.8295 0.0 0 CHG=-1
-M  V30 56 O 16.05 -6.25 0.0 0
+M  V30 56 O 2.102 -1.8295 0.0 0
-M  V30 57 O 16.916 -5.75 0.0 0 CHG=-1
+M  V30 57 O 3.4512 -3.1787 0.0 0
-M  V30 58 Cl 15.525 -7.875 0.0 0
+M  V30 58 O 7.3942 1.7541 0.0 0
-M  V30 59 O 16.391 -7.375 0.0 0
+M  V30 59 Cl 7.3942 0.4049 0.0 0
-M  V30 60 O 14.659 -7.375 0.0 0
+M  V30 60 O 8.7434 0.4049 0.0 0 CHG=-1
-M  V30 61 O 15.525 -8.875 0.0 0
+M  V30 61 O 6.045 0.4049 0.0 0
-M  V30 62 O 16.391 -8.375 0.0 0 CHG=-1
+M  V30 62 O 7.3942 -0.9444 0.0 0
 M  V30 END ATOM
 M  V30 BEGIN BOND
-M  V30 1 10 1 2
+M  V30 1 2 1 2
 M  V30 2 1 2 3
-M  V30 3 1 3 4
+M  V30 3 2 3 4
 M  V30 4 1 4 5
-M  V30 5 1 2 6
+M  V30 5 2 5 6
-M  V30 6 1 6 7
+M  V30 6 1 6 1
-M  V30 7 1 7 8
+M  V30 7 2 7 8
-M  V30 8 1 2 9
+M  V30 8 1 8 9
-M  V30 9 1 9 10
+M  V30 9 2 9 10
 M  V30 10 1 10 11
-M  V30 11 10 5 1
+M  V30 11 2 11 12
-M  V30 12 10 1 11
+M  V30 12 1 12 7
-M  V30 13 10 1 8
+M  V30 13 2 13 14
-M  V30 14 1 5 12
+M  V30 14 1 14 15
-M  V30 15 1 12 13
+M  V30 15 2 15 16
-M  V30 16 2 15 13
+M  V30 16 1 16 17
-M  V30 17 2 16 14
+M  V30 17 2 17 18
-M  V30 18 1 13 17
+M  V30 18 1 18 13
-M  V30 19 1 14 15
+M  V30 19 1 14 19
-M  V30 20 2 17 18
+M  V30 20 1 8 20
-M  V30 21 1 18 16
+M  V30 21 1 2 21
-M  V30 22 1 18 19
+M  V30 22 1 22 19
-M  V30 23 1 19 20
+M  V30 23 10 22 23
-M  V30 24 1 11 21
+M  V30 24 10 24 23
-M  V30 25 1 21 22
+M  V30 25 1 25 20
-M  V30 26 1 8 23
+M  V30 26 10 25 23
-M  V30 27 1 23 24
+M  V30 27 1 22 26
-M  V30 28 2 26 22
+M  V30 28 1 25 27
-M  V30 29 2 27 25
+M  V30 29 1 29 28
-M  V30 30 1 22 28
+M  V30 30 1 30 26
-M  V30 31 1 25 26
+M  V30 31 1 29 30
-M  V30 32 2 28 29
+M  V30 32 1 28 27
-M  V30 33 1 29 27
+M  V30 33 1 29 31
-M  V30 34 2 31 30
+M  V30 34 1 32 21
-M  V30 35 1 24 32
+M  V30 35 1 33 32
-M  V30 36 2 32 33
+M  V30 36 1 33 31
-M  V30 37 1 33 31
+M  V30 37 10 32 23
-M  V30 38 1 29 34
+M  V30 38 10 29 23
-M  V30 39 1 30 35
+M  V30 39 1 37 34
-M  V30 40 1 35 36
+M  V30 40 10 37 38
-M  V30 41 1 34 37
+M  V30 41 1 39 35
-M  V30 42 1 30 38
+M  V30 42 10 39 38
-M  V30 43 2 38 24
+M  V30 43 1 37 40
-M  V30 44 1 1 39
+M  V30 44 1 39 41
-M  V30 45 1 20 40
+M  V30 45 1 43 42
-M  V30 46 1 40 41
+M  V30 46 1 44 40
-M  V30 47 1 41 42
+M  V30 47 1 43 44
-M  V30 48 1 42 43
+M  V30 48 1 42 41
-M  V30 49 1 43 44
+M  V30 49 1 43 45
-M  V30 50 1 36 44
+M  V30 50 1 46 36
-M  V30 51 1 37 45
+M  V30 51 1 47 46
-M  V30 52 1 45 46
+M  V30 52 1 47 45
-M  V30 53 1 46 42
+M  V30 53 10 46 38
-M  V30 54 10 42 47
+M  V30 54 10 43 38
-M  V30 55 10 20 47
+M  V30 55 1 4 36
-M  V30 56 10 47 37
+M  V30 56 1 10 35
-M  V30 57 10 47 36
+M  V30 57 1 16 34
 M  V30 58 2 48 49
-M  V30 59 2 48 50
+M  V30 59 1 49 50
-M  V30 60 2 48 51
+M  V30 60 2 49 51
-M  V30 61 1 48 52
+M  V30 61 2 49 52
 M  V30 62 2 53 54
-M  V30 63 2 53 55
+M  V30 63 1 54 55
-M  V30 64 2 53 56
+M  V30 64 2 54 56
-M  V30 65 1 53 57
+M  V30 65 2 54 57
 M  V30 66 2 58 59
-M  V30 67 2 58 60
+M  V30 67 1 59 60
-M  V30 68 2 58 61
+M  V30 68 2 59 61
-M  V30 69 1 58 62
+M  V30 69 2 59 62
 M  V30 END BOND
 M  V30 END CTAB
 M  END
-|smiles=[Co+](O)123N4CC5=CC(CN6[Co+2]78N9CCN7(CC6)CCN8CC6C=CC=C(C=6)CN1CCN2(CCN3CC1C=C(C9)C=CC=1)CC4)=CC=C5.Cl([O-])(=O)(=O)=O.Cl([O-])(=O)(=O)=O.Cl([O-])(=O)(=O)=O
+|smiles=C1C=CC2CN3[Co+2]45N(CC3)3CCN4CC4C=CC=C(CN6CCN78[Co+2]6(N(CC7)CC=1C=2)(N(CC8)CC1C=C(CN5CC3)C=CC=1)[OH-])C=4.O=Cl(=O)(=O)[O-].O=Cl(=O)(=O)[O-].O=Cl(=O)(=O)[O-]
 |inchi=1S/C36H54N8.3ClHO4.2Co.H2O/c1-4-31-22-32(5-1)26-38-11-17-44-19-13-40-28-34-7-2-6-33(23-34)27-39-12-18-43(16-10-37-25-31)20-14-41-29-35-8-3-9-36(24-35)30-42-15-21-44;3*2-1(3,4)5;;;/h1-9,22-24,37-42H,10-21,25-30H2;3*(H,2,3,4,5);;;1H2/q;;;;2*+2;/p-4
 |inchikey=PWANXUIOGIXQEQ-UHFFFAOYSA-J
@@ Line 156: / Line 154: @@
 |height=200px
 |float=none
+|abbrev=
+|synonyms=
+|hasVendors=
 |parent=
 }}

Molecule:100776: Difference between revisions

Latest revision as of 14:23, 13 December 2024

Molecule is used on following pages

Molecule roles

Records for role ""

Topics

Molecule:100776: Difference between revisions

Latest revision as of 14:23, 13 December 2024

Molecule is used on following pages

Molecule roles

Records for role ""

Current site

Topics