Crystallography Open Database

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1514831 CIFC25 H38 O2 Si2P 1 21/n 112.129; 8.192; 26.318
90; 102.587; 90
2552.1Williams, David R.; Shah, Akshay A.; Mazumder, Shivnath; Baik, Mu-Hyun
Studies of iron-mediated Pauson–Khand reactions of 1,1-disubstituted-allenylsilanes: mechanistic implications for a reactive three-membered iron metallacycle
Chemical Science, 2013, 4, 238
1514832 CIFC30 H52 Fe N2 Si2P -18.8101; 9.1759; 11.1624
102.467; 92.503; 113.932
796.59Zadrozny, Joseph M.; Atanasov, Mihail; Bryan, Aimee M.; Lin, Chun-Yi; Rekken, Brian D.; Power, Philip P.; Neese, Frank; Long, Jeffrey R.
Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes
Chemical Science, 2013, 4, 125
1514833 CIFC60 H76 Fe0.93 N2P 1 21/n 110.8937; 20.234; 11.2231
90; 90.829; 90
2473.6Zadrozny, Joseph M.; Atanasov, Mihail; Bryan, Aimee M.; Lin, Chun-Yi; Rekken, Brian D.; Power, Philip P.; Neese, Frank; Long, Jeffrey R.
Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes
Chemical Science, 2013, 4, 125
1514834 CIFC18.87 H19.16 N2 O2 ZnI b c a13.9562; 23.5904; 23.5858
90; 90; 90
7765.2He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming
A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds
Chemical Science, 2013, 4, 351
1514835 CIFC12 H10 N2 O2 ZnI b c a13.9249; 23.653; 23.637
90; 90; 90
7785.2He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming
A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds
Chemical Science, 2013, 4, 351
1514836 CIFC58 H60 Au2 I2 O2 P4P -111.83; 11.9725; 12.3591
65.098; 69.838; 65.309
1411.99Lim, Sang Ho; Olmstead, Marilyn M.; Balch, Alan L.
Inorganic topochemistry. Vapor-induced solid state transformations of luminescent, three-coordinate gold(i) complexes
Chemical Science, 2013, 4, 311
1514837 CIFC51 H62 N3 NiP 1 21/n 112.2859; 20.3988; 17.3454
90; 99.232; 90
4290.8Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.
Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation
Chemical Science, 2013, 4, 170
1514838 CIFC59 H78 Cl4 N3 NiP 1 21/c 121.2763; 10.7269; 24.4104
90; 97.053; 90
5529Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.
Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation
Chemical Science, 2013, 4, 170
1514839 CIFC87 H84 B F24 N3 Ni OP 1 21/n 112.9077; 34.624; 19.65
90; 107.756; 90
8363.6Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.
Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation
Chemical Science, 2013, 4, 170
1514840 CIFC197 H204 B2 F48 N6 Ni2 O4P -114.7621; 16.7885; 21.465
102.291; 106.901; 105.812
4644.3Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.
Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation
Chemical Science, 2013, 4, 170
1514841 CIFC93 H96 B F24 N3 Ni OP 1 21/c 112.7476; 20.1891; 33.921
90; 90.696; 90
8729.4Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.
Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation
Chemical Science, 2013, 4, 170
1514842 CIFC30 H27 B F15 O2 P SP 1 21/c 19.4942; 29.0008; 11.5368
90; 90.018; 90
3176.5Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard
Reactions of phosphorus/boron frustrated Lewis pairs with SO2
Chemical Science, 2013, 4, 213
1514843 CIFC33 H28 B F10 O2 P SP -113.2898; 13.3521; 22.579
73.392; 73.073; 83.328
3670.7Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard
Reactions of phosphorus/boron frustrated Lewis pairs with SO2
Chemical Science, 2013, 4, 213
1514844 CIFC36 H32 B F10 O2 P SP -110.5993; 11.865; 14.4165
92.7; 95.322; 111.03
1678.66Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard
Reactions of phosphorus/boron frustrated Lewis pairs with SO2
Chemical Science, 2013, 4, 213
1514845 CIFC76 H162 Cu6 N12 O88.66 V30P 31 2 120.411; 20.411; 40.34
90; 90; 120
14554Forster, Johannes; Rösner, Benedikt; Fink, Rainer H.; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Kastner, Katharina; Tucher, Johannes; Streb, Carsten
Oxidation-driven self-assembly gives access to high-nuclearity molecular copper vanadium oxide clusters
Chemical Science, 2013, 4, 418
1514846 CIFC10 H30 N2 O12 S5 VP -19.4145; 11.119; 13.183
67.27; 77.71; 89.25
1240Forster, Johannes; Rösner, Benedikt; Fink, Rainer H.; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Kastner, Katharina; Tucher, Johannes; Streb, Carsten
Oxidation-driven self-assembly gives access to high-nuclearity molecular copper vanadium oxide clusters
Chemical Science, 2013, 4, 418
1514847 CIFC31 H33 N3 O7 SC 1 2/c 126.759; 8.5937; 24.464
90; 92.096; 90
5621.9Moore, Jared T.; Soldi, Cristian; Fettinger, James C.; Shaw, Jared T.
Catalytic Alkene Cyclization Reactions for the Stereoselective Synthesis of Complex "Terpenoid-like" Heterocycles.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 292-296
1514848 CIFC31 H27 N3 O8 SP -17.9323; 12.8416; 28.201
96.6629; 90.955; 94.4154
2843.8Moore, Jared T.; Soldi, Cristian; Fettinger, James C.; Shaw, Jared T.
Catalytic Alkene Cyclization Reactions for the Stereoselective Synthesis of Complex "Terpenoid-like" Heterocycles.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 292-296
1514849 CIFC24.5 H33 Cl N4 O8 Pd2 S2P 21 21 218.4525; 15.486; 46.184
90; 90; 90
6045.3Rodríguez, Nuria; Romero-Revilla, Jose A.; Fernández-Ibáñez, M. Ángeles; Carretero, Juan C.
Palladium-catalyzed N-(2-pyridyl)sulfonyl-directed C(sp3)‒H γ-arylation of amino acid derivatives
Chemical Science, 2013, 4, 175
1514850 CIFC19 H24 N2 O6 SP 21 21 219.8306; 17.0929; 24.3215
90; 90; 90
4086.8Rodríguez, Nuria; Romero-Revilla, Jose A.; Fernández-Ibáñez, M. Ángeles; Carretero, Juan C.
Palladium-catalyzed N-(2-pyridyl)sulfonyl-directed C(sp3)–H γ-arylation of amino acid derivatives
Chemical Science, 2013, 4, 175
1514851 CIFC106 H115 Cl N8 O11P -113.258; 20.3837; 26.4826
85.599; 81.344; 81.232
6982Allain, Clémence; Beer, Paul D.; Faulkner, Stephen; Jones, Michael W.; Kenwright, Alan M.; Kilah, Nathan L.; Knighton, Richard C.; Sørensen, Thomas Just; Tropiano, Manuel
Lanthanide appended rotaxanes respond to changing chloride concentration
Chemical Science, 2013, 4, 489
1514852 CIFC70 H126 Lu4 N16 Na4 O43P 1 2/c 118.0616; 14.969; 18.2262
90; 108.69; 90
4667.84Allain, Clémence; Beer, Paul D.; Faulkner, Stephen; Jones, Michael W.; Kenwright, Alan M.; Kilah, Nathan L.; Knighton, Richard C.; Sørensen, Thomas Just; Tropiano, Manuel
Lanthanide appended rotaxanes respond to changing chloride concentration
Chemical Science, 2013, 4, 489
1514853 CIFC26 H16 O5 S8P -16.06; 12.255; 19.535
79.509; 81.926; 76.549
1380.07Simao, Claudia; Mas-Torrent, Marta; André, Vânia; Duarte, M. Teresa; Veciana, Jaume; Rovira, Concepció
Intramolecular electron transfer in the photodimerisation product of a tetrathiafulvalene derivative in solution and on a surface
Chemical Science, 2013, 4, 307
1514854 CIFC25 H20 OP 1 21/c 111.751; 7.5332; 19.9382
90; 95.651; 90
1756.4Truong, Thanh; Daugulis, Olafs
Divergent Reaction Pathways for Phenol Arylation by Arynes: Synthesis of Helicenes and 2-Arylphenols.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 531-535
1514855 CIFCo2 K7 O49 W11F m -3 m21.2598; 21.2598; 21.2598
90; 90; 90
9609Song, Fangyuan; Ding, Yong; Ma, Baochun; Wang, Changming; Wang, Qiang; Du, Xiaoqiang; Fu, Shao; Song, Jie
K7[CoIIICoII(H2O)W11O39]: a molecular mixed-valence Keggin polyoxometalate catalyst of high stability and efficiency for visible light-driven water oxidation
Energy & Environmental Science, 2013, 6, 1170
1514856 CIFC20 H32 Cl2 N4 PdP 1 21/c 17.5573; 14.3118; 22.254
90; 94.258; 90
2400.3Haque, Rosenani A.; Salman, Abbas Washeel; Budagumpi, Srinivasa; Abdullah, Amirul Al-Ashraf; Majid, Amin M S Abdul
Sterically tuned Ag(I)- and Pd(II)-N-heterocyclic carbene complexes of imidazol-2-ylidenes: synthesis, crystal structures, and in vitro antibacterial and anticancer studies.
Metallomics : integrated biometal science, 2013, 5, 760-769
1514857 CIFC14 H20 Br0 Cl2 N4 PdP -17.5862; 7.6268; 8.196
78.976; 73.148; 69.472
422.9Haque, Rosenani A.; Salman, Abbas Washeel; Budagumpi, Srinivasa; Abdullah, Amirul Al-Ashraf; Majid, Amin M S Abdul
Sterically tuned Ag(I)- and Pd(II)-N-heterocyclic carbene complexes of imidazol-2-ylidenes: synthesis, crystal structures, and in vitro antibacterial and anticancer studies.
Metallomics : integrated biometal science, 2013, 5, 760-769
1514858 CIFC28 H36 Cl2 N4 PdP 1 21/c 111.629; 8.662; 16.71
90; 122.315; 90
1422.5Haque, Rosenani A.; Salman, Abbas Washeel; Budagumpi, Srinivasa; Abdullah, Amirul Al-Ashraf; Majid, Amin M S Abdul
Sterically tuned Ag(I)- and Pd(II)-N-heterocyclic carbene complexes of imidazol-2-ylidenes: synthesis, crystal structures, and in vitro antibacterial and anticancer studies.
Metallomics : integrated biometal science, 2013, 5, 760-769
1514859 CIFC2 H16 N10 O7 Pt2P 1 21/a 16.76; 12.76; 18.06
90; 92.31; 90
1557Komeda, Seiji; Takayama, Hiroshi; Suzuki, Toshihiro; Odani, Akira; Yamori, Takao; Chikuma, Masahiko
Synthesis of antitumor azolato-bridged dinuclear platinum(ii) complexes with in vivo antitumor efficacy and unique in vitro cytotoxicity profiles.
Metallomics : integrated biometal science, 2013, 5, 461-468
1514860 CIFC19 H16 Au Cl N2P c a 2112.8493; 6.2192; 20.5103
90; 90; 90
1639.03Citta, Anna; Schuh, Esther; Mohr, Fabian; Folda, Alessandra; Massimino, Maria Lina; Bindoli, Alberto; Casini, Angela; Rigobello, Maria Pia
Fluorescent silver(I) and gold(I)-N-heterocyclic carbene complexes with cytotoxic properties: mechanistic insights.
Metallomics : integrated biometal science, 2013, 5, 1006-1015
1514861 CIFC39 H34 Ag2 Cl4 N4P 1 21/c 111.70626; 10.58915; 28.8363
90; 94.201; 90
3564.92Citta, Anna; Schuh, Esther; Mohr, Fabian; Folda, Alessandra; Massimino, Maria Lina; Bindoli, Alberto; Casini, Angela; Rigobello, Maria Pia
Fluorescent silver(I) and gold(I)-N-heterocyclic carbene complexes with cytotoxic properties: mechanistic insights.
Metallomics : integrated biometal science, 2013, 5, 1006-1015
1514862 CIFC15 H16 N2 O3P -17.9251; 8.3409; 11.1686
97.746; 110.719; 95.6
675.77Telpoukhovskaia, Maria A.; Patrick, Brian O.; Rodríguez-Rodríguez, Cristina; Orvig, Chris
Exploring the multifunctionality of thioflavin- and deferiprone-based molecules as acetylcholinesterase inhibitors for potential application in Alzheimer's disease.
Molecular bioSystems, 2013, 9, 792-805
1514863 CIFC16 H14 N2 O3P 1 21/c 19.2499; 17.8481; 9.1282
90; 115.046; 90
1365.3Telpoukhovskaia, Maria A.; Patrick, Brian O.; Rodríguez-Rodríguez, Cristina; Orvig, Chris
Exploring the multifunctionality of thioflavin- and deferiprone-based molecules as acetylcholinesterase inhibitors for potential application in Alzheimer's disease.
Molecular bioSystems, 2013, 9, 792-805
1514864 CIFC16 H14 N2 O2 SP 1 21/c 19.7184; 13.6885; 10.8658
90; 106.839; 90
1383.5Telpoukhovskaia, Maria A.; Patrick, Brian O.; Rodríguez-Rodríguez, Cristina; Orvig, Chris
Exploring the multifunctionality of thioflavin- and deferiprone-based molecules as acetylcholinesterase inhibitors for potential application in Alzheimer's disease.
Molecular bioSystems, 2013, 9, 792-805
1514865 CIFC13 H15 N O3P -17.5969; 9.6007; 9.9994
100.928; 111.838; 107.261
608.35Telpoukhovskaia, Maria A.; Patrick, Brian O.; Rodríguez-Rodríguez, Cristina; Orvig, Chris
Exploring the multifunctionality of thioflavin- and deferiprone-based molecules as acetylcholinesterase inhibitors for potential application in Alzheimer's disease.
Molecular bioSystems, 2013, 9, 792-805
1514866 CIFC119.81 H53.81 Cl1.25 N4 Ni Sc2C 1 2/m 125.054; 15.018; 19.103
90; 94.07; 90
7169.59Feng, Yongqiang; Wang, Taishan; Wu, Jingyi; Feng, Lai; Xiang, Junfeng; Ma, Yihan; Zhang, Zhuxia; Jiang, Li; Shu, Chunying; Wang, Chunru
Structural and electronic studies of metal carbide clusterfullerene Sc2C2@Cs-C72.
Nanoscale, 2013, 5, 6704-6707
1514867 CIFC21.5 H16.5 F6 O6P 1 21 113.1176; 5.17328; 17.1353
90; 112.756; 90
1072.31Kataoka, Keisuke; Yasumoto, Tetsuaki; Manabe, Yousuke; Sato, Hiroyasu; Yamano, Akihito; Katagiri, Toshimasa
A molecular-sized tunnel-porous crystal with a ratchet gear structure and its one-way guest-molecule transportation property.
Nanoscale, 2013, 5, 1298-1300
1514868 CIFC18 H14 F6 O6P 1 21 113.308; 5.176; 15.272
90; 98.749; 90
1039.7Kataoka, Keisuke; Yasumoto, Tetsuaki; Manabe, Yousuke; Sato, Hiroyasu; Yamano, Akihito; Katagiri, Toshimasa
A molecular-sized tunnel-porous crystal with a ratchet gear structure and its one-way guest-molecule transportation property.
Nanoscale, 2013, 5, 1298-1300
1514869 CIFC190 H130 Ag16 Cl4 F27.89 O0.13 P8 S14I 41/a :225.3878; 25.3878; 72.3758
90; 90; 90
46649.1Yang, Huayan; Wang, Yu; Zheng, Nanfeng
Stabilizing subnanometer Ag(0) nanoclusters by thiolate and diphosphine ligands and their crystal structures.
Nanoscale, 2013, 5, 2674-2677
1514870 CIFC322 H234 Ag32 Cl0 F72 O1.5 P11 S24C 1 2/c 149.221; 22.63; 40.889
90; 120.01; 90
39439Yang, Huayan; Wang, Yu; Zheng, Nanfeng
Stabilizing subnanometer Ag(0) nanoclusters by thiolate and diphosphine ligands and their crystal structures.
Nanoscale, 2013, 5, 2674-2677
1514871 CIFC114.75 H48.75 Cl0.75 N4 Ni SmC 1 2 125.082; 14.877; 19.229
90; 93.881; 90
7159Xu, Wei; Hao, Yajuan; Uhlik, Filip; Shi, Zujin; Slanina, Zdenêk; Feng, Lai
Structural and electrochemical studies of Sm@D3h-C74 reveal a weak metal-cage interaction and a small band gap species.
Nanoscale, 2013, 5, 10409-10413
1514872 CIFC16 H8 N2 SeP 1 21/n 19.9546; 9.6031; 12.4807
90; 105.463; 90
1149.91Xiao, Jinchong; Xiao, Xuyu; Zhao, Yanlei; Wu, Bo; Liu, Zhenying; Zhang, Xuemin; Wang, Sujuan; Zhao, Xiaohui; Liu, Lei; Jiang, Li
Synthesis, physical properties and self-assembly behavior of azole-fused pyrene derivatives.
Nanoscale, 2013, 5, 5420-5425
1514873 CIFC9 H26 N2 O12 TiP 315.304; 15.304; 6.6658
90; 90; 120
1352.1Seisenbaeva, Gulaim A.; Daniel, Geoffrey; Nedelec, Jean-Marie; Kessler, Vadim G.
Solution equilibrium behind the room-temperature synthesis of nanocrystalline titanium dioxide.
Nanoscale, 2013, 5, 3330-3336
1514874 CIFC23 H13 N O2 S2P 1 21/c 18.1311; 15.2998; 14.1896
90; 104.87; 90
1706.13Sarker, Majher I.; Shahrin, Tasnuva; Steinmetz, Mark G.; Timerghazin, Qadir K.
Photochemical electrocyclic ring closure and leaving group expulsion from N-(9-oxothioxanthenyl)benzothiophene carboxamides.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2013, 12, 309-322
1514875 CIFC36 H27 N7P 21 21 219.807; 10.079; 29.603
90; 90; 90
2926.1Bahrenburg, Julia; Sievers, Claudia M.; Schönborn, Jan Boyke; Hartke, Bernd; Renth, Falk; Temps, Friedrich; Näther, Christian; Sönnichsen, Frank D
Photochemical properties of multi-azobenzene compounds.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2013, 12, 511-518
1514876 CIFC44 H52 N6 O9P -113.322; 13.735; 14.199
67.748; 63.947; 64.564
2049.2Farrán, Angeles; Mohanraj, John; Clarkson, Guy J.; Claramunt, Rosa M.; Herranz, Fernando; Accorsi, Gianluca
Tuning photoinduced processes of covalently bound isoalloxazine and anthraquinone bichromophores.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2013, 12, 813-822
1514877 CIFC38 H38 N4 O7P 1 21/c 17.28715; 29.6837; 14.4618
90; 94.412; 90
3118.96Farrán, Angeles; Mohanraj, John; Clarkson, Guy J.; Claramunt, Rosa M.; Herranz, Fernando; Accorsi, Gianluca
Tuning photoinduced processes of covalently bound isoalloxazine and anthraquinone bichromophores.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2013, 12, 813-822
1514878 CIFC38 H38 N4 O7P -114.7145; 15.495; 15.5967
72.967; 77.681; 71.913
3202.6Farrán, Angeles; Mohanraj, John; Clarkson, Guy J.; Claramunt, Rosa M.; Herranz, Fernando; Accorsi, Gianluca
Tuning photoinduced processes of covalently bound isoalloxazine and anthraquinone bichromophores.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2013, 12, 813-822
1514879 CIFC19.5 H16.5 N1.5 O9 TbP -19.9199; 10.4905; 13.4316
105.687; 101.88; 94.436
1303.68Wang, Hong-Ming; Yang, Yang-Yi; Zeng, Cheng-Hui; Chu, Tian-Shu; Zhu, Yi-Min; Ng, Seik Weng
A highly luminescent terbium-organic framework for reversible detection of mercury ions in aqueous solution.
Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2013, 12, 1700-1706
1514880 CIFC10 H10 O4P -16.8784; 8.2785; 8.5427
78.119; 87.93; 88.399
475.61Unold, Jörg; Wang, Dongren; Frey, Wolfgang; Buchmeiser, Michael R.
Stereo- and regioselective cyclopolymerization of chiral 1,7-octadiynes
Polymer Chemistry, 2013, 4, 4219

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