[ { "@id": "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Molecule-3A100815", "@type": [ "http://semantic-mediawiki.org/swivt/1.0#Subject", "http://purl.obolibrary.org/obo/CHEBI_23367" ], "http://www.w3.org/2000/01/rdf-schema#label": [ { "@value": "Molecule:100815", "@type": "" } ], "http://www.w3.org/2000/01/rdf-schema#isDefinedBy": [ { "@id": "https://chemwiki.scc.kit.edu/main/mediawiki/Special:ExportRDF/Molecule-3A100815" } ], "http://semantic-mediawiki.org/swivt/1.0#page": [ { "@id": "https://chemwiki.scc.kit.edu/main/mediawiki/Molecule-3A100815" } ], "http://semantic-mediawiki.org/swivt/1.0#wikiNamespace": [ { "@value": "3300", "@type": "http://www.w3.org/2001/XMLSchema#integer" } ], "http://semantic-mediawiki.org/swivt/1.0#wikiPageContentLanguage": [ { "@value": "en" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3AAbbreviation": [ { "@value": "[Ni(dMecyclam)]2[TfO]4" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3AContainsElement": [ { "@value": "C" }, { "@value": "N" }, { "@value": "Ni" }, { "@value": "S" }, { "@value": "O" }, { "@value": "F" }, { "@value": "H" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3AInChI": [ { "@value": "1S/C24H54N8.4CHF3O3S.2Ni/c1-19-23(20(2)30-16-12-26-8-5-7-25-11-15-29-19)24-21(3)31-17-13-27-9-6-10-28-14-18-32-22(24)4;4*2-1(3,4)8(5,6)7;;/h19-32H,5-18H2,1-4H3;4*(H,5,6,7);;/q;;;;;2*+2/p-4" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3AInChIKey": [ { "@value": "WTJGMZBJEKJYKL-UHFFFAOYSA-J" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3AMolecularFormula": [ { "@value": "C28H54F12N8Ni2O12S4" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3AMolecularMass": [ { "@value": "1166.125927608", "@type": "http://www.w3.org/2001/XMLSchema#double" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3AMolfile": [ { "@value": "-INDIGO-11282310222D\n\n 0 0 0 0 0 0 0 0 0 0 0 V3000\nM V30 BEGIN CTAB\nM V30 COUNTS 66 69 0 0 0\nM V30 BEGIN ATOM\nM V30 1 C 6.94527 -4.75029 0.0 0\nM V30 2 N 6.23816 -5.4574 0.0 0\nM V30 3 C 7.91119 -5.00912 0.0 0\nM V30 4 C 8.17001 -5.97504 0.0 0\nM V30 5 N 7.4629 -6.68215 0.0 0\nM V30 6 N 6.23816 -7.90689 0.0 0\nM V30 7 C 5.53105 -8.614 0.0 0\nM V30 8 C 4.56513 -8.35518 0.0 0\nM V30 9 C 4.30631 -7.38925 0.0 0\nM V30 10 N 5.01341 -6.68215 0.0 0\nM V30 11 Ni 6.2028 -6.63418 0.0 0 CHG=2\nM V30 12 C 7.87453 -7.60122 0.0 0\nM V30 13 C 7.16742 -8.30833 0.0 0\nM V30 14 C 5.37829 -5.09251 0.0 0\nM V30 15 C 4.67119 -5.79962 0.0 0\nM V30 16 C 10.9159 -0.798244 0.0 0\nM V30 17 N 10.2389 -1.4752 0.0 0\nM V30 18 C 11.8406 -1.04603 0.0 0\nM V30 19 C 12.0884 -1.97076 0.0 0\nM V30 20 N 11.4114 -2.64771 0.0 0\nM V30 21 N 10.2389 -3.82022 0.0 0\nM V30 22 C 9.56196 -4.49717 0.0 0\nM V30 23 C 8.38945 -3.32466 0.0 0\nM V30 24 N 9.0664 -2.64771 0.0 0\nM V30 25 Ni 10.2051 -2.60179 0.0 0 CHG=2\nM V30 26 C 11.8055 -3.52759 0.0 0\nM V30 27 C 11.1285 -4.20454 0.0 0\nM V30 28 C 9.41572 -1.12587 0.0 0\nM V30 29 C 8.73877 -1.80282 0.0 0\nM V30 30 C 8.6183 -4.30201 0.0 0\nM V30 31 C 6.68645 -3.78437 0.0 0\nM V30 32 C 7.42775 -3.05052 0.0 0\nM V30 33 C 9.84861 -5.45521 0.0 0\nM V30 34 C 9.13593 -6.23386 0.0 0\nM V30 35 S 15.625 -3.825 0.0 0\nM V30 36 O 15.625 -4.825 0.0 0\nM V30 37 O 16.625 -3.825 0.0 0 CHG=-1\nM V30 38 C 14.625 -3.825 0.0 0\nM V30 39 F 14.125 -2.95897 0.0 0\nM V30 40 F 14.125 -4.69103 0.0 0\nM V30 41 F 13.625 -3.825 0.0 0\nM V30 42 O 15.625 -2.825 0.0 0\nM V30 43 S 8.0 -0.175 0.0 0\nM V30 44 O 8.0 -1.175 0.0 0\nM V30 45 O 9.0 -0.175 0.0 0 CHG=-1\nM V30 46 C 7.0 -0.175 0.0 0\nM V30 47 F 6.5 0.691025 0.0 0\nM V30 48 F 6.5 -1.04103 0.0 0\nM V30 49 F 6.0 -0.175 0.0 0\nM V30 50 O 8.0 0.825 0.0 0\nM V30 51 S 4.4 -2.4 0.0 0\nM V30 52 O 4.4 -3.4 0.0 0\nM V30 53 O 5.4 -2.4 0.0 0 CHG=-1\nM V30 54 C 3.4 -2.4 0.0 0\nM V30 55 F 2.9 -1.53397 0.0 0\nM V30 56 F 2.9 -3.26603 0.0 0\nM V30 57 F 2.4 -2.4 0.0 0\nM V30 58 O 4.4 -1.4 0.0 0\nM V30 59 S 13.025 -7.075 0.0 0\nM V30 60 O 13.025 -8.075 0.0 0\nM V30 61 O 14.025 -7.075 0.0 0 CHG=-1\nM V30 62 C 12.025 -7.075 0.0 0\nM V30 63 F 11.525 -6.20897 0.0 0\nM V30 64 F 11.525 -7.94103 0.0 0\nM V30 65 F 11.025 -7.075 0.0 0\nM V30 66 O 13.025 -6.075 0.0 0\nM V30 END ATOM\nM V30 BEGIN BOND\nM V30 1 1 1 2\nM V30 2 1 1 3\nM V30 3 1 3 4\nM V30 4 1 4 5\nM V30 5 1 6 7\nM V30 6 1 7 8\nM V30 7 1 8 9\nM V30 8 1 9 10\nM V30 9 10 2 11\nM V30 10 10 11 5\nM V30 11 10 6 11\nM V30 12 10 11 10\nM V30 13 1 5 12\nM V30 14 1 12 13\nM V30 15 1 13 6\nM V30 16 1 2 14\nM V30 17 1 14 15\nM V30 18 1 15 10\nM V30 19 1 16 17\nM V30 20 1 16 18\nM V30 21 1 18 19\nM V30 22 1 19 20\nM V30 23 1 21 22\nM V30 24 1 23 24\nM V30 25 10 17 25\nM V30 26 10 25 20\nM V30 27 10 21 25\nM V30 28 10 25 24\nM V30 29 1 20 26\nM V30 30 1 26 27\nM V30 31 1 27 21\nM V30 32 1 17 28\nM V30 33 1 28 29\nM V30 34 1 29 24\nM V30 35 1 3 30\nM V30 36 1 30 23\nM V30 37 1 22 30\nM V30 38 1 1 31\nM V30 39 1 23 32\nM V30 40 1 22 33\nM V30 41 1 4 34\nM V30 42 2 35 36\nM V30 43 1 35 37\nM V30 44 1 35 38\nM V30 45 1 38 39\nM V30 46 1 38 40\nM V30 47 1 38 41\nM V30 48 2 35 42\nM V30 49 2 43 44\nM V30 50 1 43 45\nM V30 51 1 43 46\nM V30 52 1 46 47\nM V30 53 1 46 48\nM V30 54 1 46 49\nM V30 55 2 43 50\nM V30 56 2 51 52\nM V30 57 1 51 53\nM V30 58 1 51 54\nM V30 59 1 54 55\nM V30 60 1 54 56\nM V30 61 1 54 57\nM V30 62 2 51 58\nM V30 63 2 59 60\nM V30 64 1 59 61\nM V30 65 1 59 62\nM V30 66 1 62 63\nM V30 67 1 62 64\nM V30 68 1 62 65\nM V30 69 2 59 66\nM V30 END BOND\nM V30 END CTAB\nM END" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3ASmiles": [ { "@value": "C(C)1C(C2C(C)N3CCN4[Ni+2]33N(CCN3CCC4)C2C)C(C)N2CCN3[Ni+2]22N(CCN12)CCC3.S(=O)(C(F)(F)F)([O-])=O.S(=O)(C(F)(F)F)([O-])=O.S(=O)(C(F)(F)F)([O-])=O.S(=O)(C(F)(F)F)([O-])=O" } ], "http://semantic-mediawiki.org/swivt/1.0#wikiPageCreationDate": [ { "@value": "2023-11-28T09:23:11Z", "@type": "http://www.w3.org/2001/XMLSchema#dateTime" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3ACreation_date-23aux": [ { "@value": "2460276.8910995", "@type": "http://www.w3.org/2001/XMLSchema#double" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3ALast_editor_is": [ { "@id": "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/User-3A127.0.0.1" } ], "http://semantic-mediawiki.org/swivt/1.0#wikiPageModificationDate": [ { "@value": "2024-05-23T15:07:07Z", "@type": "http://www.w3.org/2001/XMLSchema#dateTime" } ], "http://chemwiki.scc.kit.edu/main/mediawiki/Special:URIResolver/Property-3AModification_date-23aux": [ { "@value": "2460454.1299421", "@type": "http://www.w3.org/2001/XMLSchema#double" } ], "http://semantic-mediawiki.org/swivt/1.0#wikiPageSortKey": [ { "@value": "100815" } ] } ]