Molecule:100813: Difference between revisions
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molecule
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{{Molecule | {{Molecule | ||
|abbrev=[Ni(cyclam-trzbpy)Ru(bpy)2][PF6]4 | |abbrev=[Ni(cyclam-trzbpy)Ru(bpy)2][PF6]4 | ||
|molecularFormula=C<sub> | |molecularFormula=C<sub>44</sub>H<sub>51</sub>F<sub>24</sub>N<sub>13</sub>NiP<sub>4</sub>Ru | ||
|molecularMass= | |molecularMass=1501.135454632 | ||
|moleculeKey=HPPBFNPGQKPNBV-UHFFFAOYSA-N | |moleculeKey=HPPBFNPGQKPNBV-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-11272318382D | ||
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 | M V30 COUNTS 87 96 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C | M V30 1 C 5.50985 -1.20007 0.0 0 | ||
M V30 2 | M V30 2 C 7.24015 -1.19959 0.0 0 | ||
M V30 3 C | M V30 3 C 6.37664 -0.699967 0.0 0 | ||
M V30 4 C | M V30 4 C 7.24015 -2.20053 0.0 0 | ||
M V30 5 C | M V30 5 C 5.50985 -2.20502 0.0 0 | ||
M V30 6 | M V30 6 N 6.37882 -2.70003 0.0 0 | ||
M V30 7 C | M V30 7 C 8.10618 -2.70053 0.0 0 | ||
M V30 8 C | M V30 8 C 9.83648 -2.69889 0.0 0 | ||
M V30 9 C | M V30 9 C 8.97263 -2.19984 0.0 0 | ||
M V30 10 | M V30 10 C 9.83715 -3.69983 0.0 0 | ||
M V30 11 | M V30 11 N 8.10685 -3.70548 0.0 0 | ||
M V30 12 C | M V30 12 C 8.97615 -4.19991 0.0 0 | ||
M V30 13 | M V30 13 N 8.13485 -5.60007 0.0 0 | ||
M V30 14 C | M V30 14 C 9.86515 -5.59959 0.0 0 | ||
M V30 15 C | M V30 15 C 9.00164 -5.09997 0.0 0 | ||
M V30 16 C | M V30 16 C 9.86515 -6.60053 0.0 0 | ||
M V30 17 C | M V30 17 C 8.13485 -6.60502 0.0 0 | ||
M V30 18 | M V30 18 C 9.00382 -7.10003 0.0 0 | ||
M V30 19 C | M V30 19 C 7.26882 -7.10502 0.0 0 | ||
M V30 20 C | M V30 20 C 6.4051 -8.60433 0.0 0 | ||
M V30 21 C 7. | M V30 21 C 7.26921 -8.10573 0.0 0 | ||
M V30 22 C | M V30 22 C 5.53792 -8.10444 0.0 0 | ||
M V30 23 N 6. | M V30 23 N 6.39818 -6.60313 0.0 0 | ||
M V30 24 C | M V30 24 C 5.53534 -7.10875 0.0 0 | ||
M V30 25 C | M V30 25 C 2.70985 -5.62507 0.0 0 | ||
M V30 26 | M V30 26 N 4.44015 -5.62459 0.0 0 | ||
M V30 27 | M V30 27 C 3.57664 -5.12497 0.0 0 | ||
M V30 28 C | M V30 28 C 4.44015 -6.62553 0.0 0 | ||
M V30 29 C | M V30 29 C 2.70985 -6.63002 0.0 0 | ||
M V30 30 C | M V30 30 C 3.57882 -7.12503 0.0 0 | ||
M V30 31 | M V30 31 C 3.57664 -4.12497 0.0 0 | ||
M V30 32 C | M V30 32 C 2.71006 -2.62731 0.0 0 | ||
M V30 33 C | M V30 33 C 2.7098 -3.62494 0.0 0 | ||
M V30 34 C | M V30 34 C 3.57657 -2.12625 0.0 0 | ||
M V30 35 | M V30 35 N 4.44661 -3.62191 0.0 0 | ||
M V30 36 C | M V30 36 C 4.44015 -2.62186 0.0 0 | ||
M V30 37 | M V30 37 C 10.7317 -7.0997 0.0 0 | ||
M V30 38 C | M V30 38 C 11.6452 -6.69299 0.0 0 | ||
M V30 39 | M V30 39 N 12.3144 -7.43613 0.0 0 | ||
M V30 40 N | M V30 40 N 11.8144 -8.30215 0.0 0 | ||
M V30 41 N | M V30 41 N 10.8362 -8.0942 0.0 0 | ||
M V30 42 | M V30 42 C 13.3089 -7.33159 0.0 0 | ||
M V30 43 C | M V30 43 C 13.8967 -8.1406 0.0 0 | ||
M V30 44 | M V30 44 N 14.8912 -8.03605 0.0 0 | ||
M V30 45 C | M V30 45 C 14.6324 -7.07013 0.0 0 | ||
M V30 46 | M V30 46 C 14.1841 -8.74316 0.0 0 | ||
M V30 47 | M V30 47 C 15.3395 -6.36302 0.0 0 | ||
M V30 48 | M V30 48 C 16.3054 -6.62184 0.0 0 | ||
M V30 49 N | M V30 49 N 16.5642 -7.58777 0.0 0 | ||
M V30 50 | M V30 50 C 14.4429 -9.70909 0.0 0 | ||
M V30 51 C | M V30 51 C 17.5302 -7.84659 0.0 0 | ||
M V30 52 C | M V30 52 C 17.789 -8.81251 0.0 0 | ||
M V30 53 | M V30 53 N 17.0819 -9.51962 0.0 0 | ||
M V30 54 | M V30 54 N 15.4088 -9.96791 0.0 0 | ||
M V30 55 C | M V30 55 C 15.6677 -10.9338 0.0 0 | ||
M V30 56 C | M V30 56 C 17.3407 -10.4855 0.0 0 | ||
M V30 57 C | M V30 57 C 16.6336 -11.1927 0.0 0 | ||
M V30 58 | M V30 58 Ru 6.35372 -4.55402 0.0 0 CHG=2 | ||
M V30 59 | M V30 59 Ni 15.9572 -8.68605 0.0 0 CHG=2 | ||
M V30 | M V30 60 P 11.967 -4.35 0.0 0 CHG=-1 | ||
M V30 61 F 12.833 -3.85 0.0 0 | |||
M V30 62 F 11.101 -3.85 0.0 0 | |||
M V30 63 F 11.967 -5.35 0.0 0 | |||
M V30 64 F 12.833 -4.85 0.0 0 | |||
M V30 65 F 11.967 -3.35 0.0 0 | |||
M V30 66 F 11.101 -4.85 0.0 0 | |||
M V30 67 P 3.75 -9.2 0.0 0 CHG=-1 | |||
M V30 68 F 4.61603 -8.7 0.0 0 | |||
M V30 69 F 2.88397 -8.7 0.0 0 | |||
M V30 70 F 3.75 -10.2 0.0 0 | |||
M V30 71 F 4.61603 -9.7 0.0 0 | |||
M V30 72 F 3.75 -8.2 0.0 0 | |||
M V30 73 F 2.88397 -9.7 0.0 0 | |||
M V30 74 P 18.0 -5.925 0.0 0 CHG=-1 | |||
M V30 75 F 18.866 -5.425 0.0 0 | |||
M V30 76 F 17.134 -5.425 0.0 0 | |||
M V30 77 F 18.0 -6.925 0.0 0 | |||
M V30 78 F 18.866 -6.425 0.0 0 | |||
M V30 79 F 18.0 -4.925 0.0 0 | |||
M V30 80 F 17.134 -6.425 0.0 0 | |||
M V30 81 P 13.6 -11.625 0.0 0 CHG=-1 | |||
M V30 82 F 14.466 -11.125 0.0 0 | |||
M V30 83 F 12.734 -11.125 0.0 0 | |||
M V30 84 F 13.6 -12.625 0.0 0 | |||
M V30 85 F 14.466 -12.125 0.0 0 | |||
M V30 86 F 13.6 -10.625 0.0 0 | |||
M V30 87 F 12.734 -12.125 0.0 0 | |||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
Line 79: | Line 106: | ||
M V30 5 2 5 6 | M V30 5 2 5 6 | ||
M V30 6 1 6 4 | M V30 6 1 6 4 | ||
M V30 7 2 9 7 | M V30 7 1 4 7 | ||
M V30 | M V30 8 2 9 7 | ||
M V30 | M V30 9 2 10 8 | ||
M V30 | M V30 10 1 7 11 | ||
M V30 | M V30 11 1 8 9 | ||
M V30 | M V30 12 2 11 12 | ||
M V30 | M V30 13 1 12 10 | ||
M V30 | M V30 14 2 15 13 | ||
M V30 | M V30 15 2 16 14 | ||
M V30 | M V30 16 1 13 17 | ||
M V30 | M V30 17 1 14 15 | ||
M V30 | M V30 18 2 17 18 | ||
M V30 19 2 21 19 | M V30 19 1 18 16 | ||
M V30 | M V30 20 1 17 19 | ||
M V30 | M V30 21 2 21 19 | ||
M V30 | M V30 22 2 22 20 | ||
M V30 | M V30 23 1 19 23 | ||
M V30 | M V30 24 1 20 21 | ||
M V30 | M V30 25 2 23 24 | ||
M V30 | M V30 26 1 24 22 | ||
M V30 | M V30 27 2 27 25 | ||
M V30 | M V30 28 2 28 26 | ||
M V30 | M V30 29 1 25 29 | ||
M V30 | M V30 30 1 26 27 | ||
M V30 31 2 33 31 | M V30 31 2 29 30 | ||
M V30 | M V30 32 1 30 28 | ||
M V30 | M V30 33 1 27 31 | ||
M V30 | M V30 34 2 33 31 | ||
M V30 | M V30 35 2 34 32 | ||
M V30 | M V30 36 1 31 35 | ||
M V30 37 | M V30 37 1 32 33 | ||
M V30 38 1 | M V30 38 2 35 36 | ||
M V30 39 | M V30 39 1 36 34 | ||
M V30 40 | M V30 40 1 16 37 | ||
M V30 41 | M V30 41 2 37 38 | ||
M V30 42 | M V30 42 1 38 39 | ||
M V30 43 | M V30 43 1 39 40 | ||
M V30 44 | M V30 44 2 40 41 | ||
M V30 45 | M V30 45 1 41 37 | ||
M V30 46 1 | M V30 46 1 39 42 | ||
M V30 47 | M V30 47 1 42 43 | ||
M V30 48 1 | M V30 48 1 43 44 | ||
M V30 49 1 | M V30 49 1 44 45 | ||
M V30 50 | M V30 50 1 44 46 | ||
M V30 | M V30 51 1 45 47 | ||
M V30 | M V30 52 1 47 48 | ||
M V30 | M V30 53 1 48 49 | ||
M V30 | M V30 54 1 46 50 | ||
M V30 | M V30 55 1 49 51 | ||
M V30 | M V30 56 1 51 52 | ||
M V30 | M V30 57 1 52 53 | ||
M V30 58 10 | M V30 58 1 50 54 | ||
M V30 59 10 | M V30 59 1 54 55 | ||
M V30 60 1 | M V30 60 1 53 56 | ||
M V30 | M V30 61 1 56 57 | ||
M V30 | M V30 62 1 57 55 | ||
M V30 | M V30 63 10 35 58 | ||
M V30 | M V30 64 10 58 6 | ||
M V30 | M V30 65 10 11 58 | ||
M V30 | M V30 66 10 58 13 | ||
M V30 67 1 | M V30 67 10 23 58 | ||
M V30 | M V30 68 10 58 26 | ||
M V30 | M V30 69 10 44 59 | ||
M V30 | M V30 70 10 59 49 | ||
M V30 | M V30 71 10 59 53 | ||
M V30 | M V30 72 10 54 59 | ||
M V30 | M V30 73 1 60 61 | ||
M V30 74 1 60 62 | |||
M V30 75 1 60 63 | |||
M V30 76 1 60 64 | |||
M V30 77 1 60 65 | |||
M V30 78 1 60 66 | |||
M V30 79 1 67 68 | |||
M V30 80 1 67 69 | |||
M V30 81 1 67 70 | |||
M V30 82 1 67 71 | |||
M V30 83 1 67 72 | |||
M V30 84 1 67 73 | |||
M V30 85 1 74 75 | |||
M V30 86 1 74 76 | |||
M V30 87 1 74 77 | |||
M V30 88 1 74 78 | |||
M V30 89 1 74 79 | |||
M V30 90 1 74 80 | |||
M V30 91 1 81 82 | |||
M V30 92 1 81 83 | |||
M V30 93 1 81 84 | |||
M V30 94 1 81 85 | |||
M V30 95 1 81 86 | |||
M V30 96 1 81 87 | |||
M V30 END BOND | M V30 END BOND | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=C1C | |smiles=C1C=N2[Ru+2]3(N4C(C5N3=CC=CC=5)=CC=CC=4)3(N4=CC=CC=C4C4=CC(C5N=NN(CCN67[Ni+2]89N(CCCN8CCN9CCC6)CC7)C=5)=CC=N43)N3=CC=CC=C3C2=CC=1.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F | ||
|inchi=1S/ | |inchi=1S/C24H35N9.2C10H8N2.4F6P.Ni.Ru/c1-2-10-28-22(5-1)23-19-21(6-11-29-23)24-20-33(31-30-24)18-17-32-15-4-9-26-13-12-25-7-3-8-27-14-16-32;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-7(2,3,4,5)6;;/h1-2,5-6,10-11,19-20,25-27H,3-4,7-9,12-18H2;2*1-8H;;;;;;/q;;;4*-1;2*+2 | ||
|inchikey=HPPBFNPGQKPNBV-UHFFFAOYSA-N | |inchikey=HPPBFNPGQKPNBV-UHFFFAOYSA-N | ||
|width=300px | |width=300px |
Revision as of 09:59, 17 January 2024
Properties | |
---|---|
CID | n/a |
CAS | n/a |
IUPAC-Name | n/a |
Abbreviation | [Ni(cyclam-trzbpy)Ru(bpy)2][PF6]4 |
Trivialname | n/a |
Exact mass | 1501.135454632 |
Molecular formula | C44H51F24N13NiP4Ru |
LogP | n/a |
Has vendors | n/a |
Molecular role | n/a |
Synonyms | n/a |
[Ni(cyclam-trzbpy)Ru(bpy)2][PF6]4
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Molecule is used on following pages
publication
- Carbon dioxide reduction via light activation of a ruthenium–Ni(cyclam) complex
- Photocatalytic Carbon Dioxide Reduction Using Nickel Complexes as Catalysts
investigation