Crystallography Open Database

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1514824 CIFC61 H89 B N7 Ni O6.5 ZnP -111.9784; 19.7901; 26.294
104.912; 91.396; 98.3
5947.7Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157
1514825 CIFC77 H100 B N7 Ni O6 P ZnP 1 21/c 121.7065; 13.6234; 24.045
90; 90.533; 90
7110.2Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157
1514826 CIFC55 H74 B N7 Ni O5 ZnP 1 21/c 117.2117; 12.9449; 24.7109
90; 101.43; 90
5396.5Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157
1514827 CIFC57 H72 N14 O15P -114.1445; 14.338; 16.719
86.271; 81.687; 61.358
2944.5Moore, Stephen J.; Haynes, Cally J. E.; González, Jorge; Sutton, Jennifer L.; Brooks, Simon J.; Light, Mark E.; Herniman, Julie; Langley, G. John; Soto-Cerrato, Vanessa; Pérez-Tomás, Ricardo; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A.
Chloride, carboxylate and carbonate transport by ortho-phenylenediamine-based bisureas
Chemical Science, 2013, 4, 103
1514828 CIFC38 H33 Co F9 N8 O6 S2C 1 2/c 123.898; 15.593; 23.95
90; 109.468; 90
8414.5Sun, Yujie; Sun, Jianwei; Long, Jeffrey R.; Yang, Peidong; Chang, Christopher J.
Photocatalytic generation of hydrogen from water using a cobalt pentapyridine complex in combination with molecular and semiconductor nanowire photosensitizers
Chemical Science, 2013, 4, 118
1514830 CIFC20 H18 Fe O4 SiP 1 21 17.151; 29.386; 9.6851
90; 100.773; 90
1999.4Williams, 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
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
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
1515358 CIFC10 H14 Cl2 Ru SP 1 21/n 17.0069; 12.8404; 12.4298
90; 92.9276; 90
1116.87Camacho-Fernandez, Miguel A.; Yen, Max; Ziller, Joseph W.; Guan, Zhibin
Direct observation of a cationic ruthenium complex for ethylene insertion polymerization
Chemical Science, 2013, 4, 2902
1515359 CIFC12 H20 Ru SP 1 21/n 16.8375; 13.5463; 12.8712
90; 93.878; 90
1189.44Camacho-Fernandez, Miguel A.; Yen, Max; Ziller, Joseph W.; Guan, Zhibin
Direct observation of a cationic ruthenium complex for ethylene insertion polymerization
Chemical Science, 2013, 4, 2902
1515360 CIFC13 H19 Cl N2 SP b c n13.987; 8.17; 24.959
90; 90; 90
2852Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.
Towards predictable transmembrane transport: QSAR analysis of anion binding and transport
Chemical Science, 2013, 4, 3036
1515361 CIFC13 H19 N3 O2 SP -15.2833; 14.9019; 18.0119
91.957; 95.987; 92.116
1408.4Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.
Towards predictable transmembrane transport: QSAR analysis of anion binding and transport
Chemical Science, 2013, 4, 3036
1515362 CIFC14 H19 N3 SP -17.466; 8.049; 13.472
82.276; 82.154; 63.734
716.7Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.
Towards predictable transmembrane transport: QSAR analysis of anion binding and transport
Chemical Science, 2013, 4, 3036
1515363 CIFC14 H22 N2 SP 1 21/n 110.731; 8.475; 16.092
90; 102.01; 90
1431.5Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.
Towards predictable transmembrane transport: QSAR analysis of anion binding and transport
Chemical Science, 2013, 4, 3036
1515364 CIFC15 H22 N2 O2 SP 1 21/c 111.0875; 7.4703; 37.579
90; 100.356; 90
3061.8Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.
Towards predictable transmembrane transport: QSAR analysis of anion binding and transport
Chemical Science, 2013, 4, 3036
1515365 CIFC14 H19 F3 N2 SP 1 21/c 113.298; 13.278; 8.673
90; 91.912; 90
1530.5Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.
Towards predictable transmembrane transport: QSAR analysis of anion binding and transport
Chemical Science, 2013, 4, 3036
1515366 CIFC13 H19 Br N2 SP 1 21/c 117.3563; 7.8428; 21.0265
90; 97.599; 90
2837Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.
Towards predictable transmembrane transport: QSAR analysis of anion binding and transport
Chemical Science, 2013, 4, 3036
1515367 CIFC13 H19 F N2 SP c a 2117.405; 8.732; 17.612
90; 90; 90
2677Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.
Towards predictable transmembrane transport: QSAR analysis of anion binding and transport
Chemical Science, 2013, 4, 3036
1515368 CIFC15 H22 N2 O2 SP 1 21/n 15.553; 9.157; 30.91
90; 93.215; 90
1569Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.
Towards predictable transmembrane transport: QSAR analysis of anion binding and transport
Chemical Science, 2013, 4, 3036
1515369 CIFC15 H24 N2 O SP -18.39; 9.689; 19.62
93.19; 101.167; 90.09
1562Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.
Towards predictable transmembrane transport: QSAR analysis of anion binding and transport
Chemical Science, 2013, 4, 3036
1515370 CIFC13 H19 I N2 SP 1 21/n 111.4798; 8.4051; 15.6294
90; 102.55; 90
1472.03Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.
Towards predictable transmembrane transport: QSAR analysis of anion binding and transport
Chemical Science, 2013, 4, 3036
1515371 CIFC15 H19 F3 N2 O SP -15.2392; 11.02; 14.5788
75.946; 79.884; 79.501
795.2Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.
Towards predictable transmembrane transport: QSAR analysis of anion binding and transport
Chemical Science, 2013, 4, 3036
1515372 CIFC14 H22 N2 O SP 1 21/c 136.04; 4.347; 9.59
90; 95.3; 90
1496Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.
Towards predictable transmembrane transport: QSAR analysis of anion binding and transport
Chemical Science, 2013, 4, 3036
1515373 CIFC15 H24 N2 SP 1 21/c 113.07; 13.28; 8.885
90; 93.56; 90
1539Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.
Towards predictable transmembrane transport: QSAR analysis of anion binding and transport
Chemical Science, 2013, 4, 3036
1515374 CIFC16 H26 N2 SP 1 21/c 122.536; 7.7393; 9.223
90; 98.488; 90
1591Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.
Towards predictable transmembrane transport: QSAR analysis of anion binding and transport
Chemical Science, 2013, 4, 3036
1515375 CIFC15 H22 N2 O SP b c a7.756; 10.12; 37.38
90; 90; 90
2934Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.
Towards predictable transmembrane transport: QSAR analysis of anion binding and transport
Chemical Science, 2013, 4, 3036

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