Crystallography Open Database
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| 1529316 | CIF | C70 H79 Co2 N9 O4 | P 32 2 1 | 14.064; 14.064; 27.143 90; 90; 120 | 4649.5 | Villanueva, Omar; Weldy, Nina Mace; Blakey, Simon B.; MacBeth, Cora E. Cobalt catalyzed sp3C–H amination utilizing aryl azides Chem. Sci., 2015, 6, 6672 |
| 1529321 | CIF | C56 H68 N4 O13 | F 4 3 2 | 36.2659; 36.2659; 36.2659 90; 90; 90 | 47697.5 | Barker, Emily C.; Goh, Ching Yong; Jones, Franca; Mocerino, Mauro; Skelton, Brian W.; Becker, Thomas; Ogden, Mark I. Investigating hydrogel formation using in situ variable-temperature scanning probe microscopy Chem. Sci., 2015, 6, 6133 |
| 1529322 | CIF | C24 H27 N O3 | P -1 | 11.3191; 11.464; 18.1291 93.847; 101.554; 114.578 | 2065.9 | Tan, Wei Wen; Yoshikai, Naohiko Copper-catalyzed condensation of imines and α-diazo-β-dicarbonyl compounds: modular and regiocontrolled synthesis of multisubstituted pyrroles Chem. Sci., 2015, 6, 6448 |
| 1529323 | CIF | C27 H23 N O3 | P 1 21/c 1 | 9.9721; 14.3477; 15.3171 90; 106.912; 90 | 2096.7 | Tan, Wei Wen; Yoshikai, Naohiko Copper-catalyzed condensation of imines and α-diazo-β-dicarbonyl compounds: modular and regiocontrolled synthesis of multisubstituted pyrroles Chem. Sci., 2015, 6, 6448 |
| 1529324 | CIF | C25 H19 Bi F9 N5 O9 S3 | P -1 | 9.3667; 13.6119; 13.6823 77.1774; 87.8299; 79.1523 | 1670.6 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J. Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations Chem. Sci., 2015, 6, 6545 |
| 1529325 | CIF | C41 H51 F9 N5 O9 P S3 | P -1 | 11.6535; 14.5562; 14.588 88.2712; 80.7875; 88.0482 | 2440.47 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J. Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations Chem. Sci., 2015, 6, 6545 |
| 1529326 | CIF | C44.67 H56.5 As F9 N6.83 O9 S3 | P -1 | 15.0217; 18.4434; 31.1243 93.909; 101.339; 99.3536 | 8297.5 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J. Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations Chem. Sci., 2015, 6, 6545 |
| 1529327 | CIF | C41 H51 F9 N5 O9 S3 Sb | P 1 21/n 1 | 14.0078; 17.6534; 22.0396 90; 108.34; 90 | 5173.3 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J. Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations Chem. Sci., 2015, 6, 6545 |
| 1529328 | CIF | C27 H34.5 F9 N7.5 O9 P S3 | P -1 | 13.2699; 15.788; 20.4958 76.0415; 87.922; 73.566 | 3994.6 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J. Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations Chem. Sci., 2015, 6, 6545 |
| 1529329 | CIF | C28 H36 As F9 N8 O9 S3 | P -1 | 12.3457; 13.3802; 14.5721 81.4461; 66.6056; 72.0828 | 2101.1 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J. Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations Chem. Sci., 2015, 6, 6545 |
| 1529330 | CIF | C27 H22 F9 N6 O9 P S3 | C 1 2/c 1 | 28.5371; 13.8414; 21.8775 90; 124.553; 90 | 7117.1 | Chitnis, Saurabh S.; Robertson, Alasdair P. M.; Burford, Neil; Patrick, Brian O.; McDonald, Robert; Ferguson, Michael J. Bipyridine complexes of E3+(E = P, As, Sb, Bi): strong Lewis acids, sources of E(OTf)3and synthons for EIand EVcations Chem. Sci., 2015, 6, 6545 |
| 1529345 | CIF | C41 H59 B Ir N O2 P2 | P -1 | 14.2754; 16.7152; 18.3801 66.601; 89.641; 87.421 | 4020.7 | Lee, Chun-I; DeMott, Jessica C.; Pell, Christopher J.; Christopher, Alyson; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V. Ligand survey results in identification of PNP pincer complexes of iridium as long-lived and chemoselective catalysts for dehydrogenative borylation of terminal alkynes Chem. Sci., 2015, 6, 6572 |
| 1529346 | CIF | C38 H64 B2 Ir N O4 P2 | P 1 21/c 1 | 15.139; 11.8769; 23.409 90; 95.654; 90 | 4188.6 | Lee, Chun-I; DeMott, Jessica C.; Pell, Christopher J.; Christopher, Alyson; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V. Ligand survey results in identification of PNP pincer complexes of iridium as long-lived and chemoselective catalysts for dehydrogenative borylation of terminal alkynes Chem. Sci., 2015, 6, 6572 |
| 1529347 | CIF | C47 H61 B F4 Ir N O2 P2 | P 1 21/c 1 | 14.781; 26.065; 12.544 90; 107.16; 90 | 4618 | Lee, Chun-I; DeMott, Jessica C.; Pell, Christopher J.; Christopher, Alyson; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V. Ligand survey results in identification of PNP pincer complexes of iridium as long-lived and chemoselective catalysts for dehydrogenative borylation of terminal alkynes Chem. Sci., 2015, 6, 6572 |
| 1529348 | CIF | C32 H53 B Ir N O2 P2 | P 1 21/c 1 | 14.792; 17.546; 14.1242 90; 110.435; 90 | 3435.1 | Lee, Chun-I; DeMott, Jessica C.; Pell, Christopher J.; Christopher, Alyson; Zhou, Jia; Bhuvanesh, Nattamai; Ozerov, Oleg V. Ligand survey results in identification of PNP pincer complexes of iridium as long-lived and chemoselective catalysts for dehydrogenative borylation of terminal alkynes Chem. Sci., 2015, 6, 6572 |
| 1529364 | CIF | C24 H41 F8 N2 Ni O3 P | P 1 21/c 1 | 15.5474; 9.9548; 19.6379 90; 92.862; 90 | 3035.6 | Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions Chem. Sci., 2015, 6, 6392 |
| 1529365 | CIF | C31 H38 F8 N2 Ni | P 21 21 21 | 10.8851; 15.544; 18.9208 90; 90; 90 | 3201.4 | Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions Chem. Sci., 2015, 6, 6392 |
| 1529366 | CIF | C35 H45 F10 N2 Ni O3 S | P 1 21/c 1 | 10.2361; 16.5042; 22.6115 90; 90.96; 90 | 3819.4 | Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions Chem. Sci., 2015, 6, 6392 |
| 1529367 | CIF | C33 H41 F7 N2 Ni O2 | P 1 21/c 1 | 9.7181; 18.216; 19.2228 90; 92.18; 90 | 3400.5 | Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions Chem. Sci., 2015, 6, 6392 |
| 1529368 | CIF | C37 H46 F8 N2 Ni O | P 1 21/c 1 | 16.5255; 10.6186; 20.8839 90; 101.931; 90 | 3585.5 | Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions Chem. Sci., 2015, 6, 6392 |
| 1529378 | CIF | C87 H75 N4 O4 | P -1 | 11.962; 15.81; 19.746 97.277; 99.848; 100.275 | 3572 | Katoono, Ryo; Kawai, Shunsuke; Fujiwara, Kenshu; Suzuki, Takanori Controllability of dynamic double helices: quantitative analysis of the inversion of a screw-sense preference upon complexation Chem. Sci., 2015, 6, 6592 |
| 1529389 | CIF | C68 H60 Ce Li4 N12 | F d d d :2 | 11.4483; 43.06; 24.522 90; 90; 90 | 12088.5 | Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J. Control of cerium oxidation state through metal complex secondary structures Chem. Sci., 2015, 6, 6925 |
| 1529390 | CIF | C88 H80 Ce N16 Na4 | P -1 | 13.9504; 16.2467; 19.0053 83.136; 83.696; 84.993 | 4238.8 | Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J. Control of cerium oxidation state through metal complex secondary structures Chem. Sci., 2015, 6, 6925 |
| 1529391 | CIF | C83 H75 Ce K5 N15 | P -1 | 15.2003; 15.4668; 18.0353 93.849; 101.333; 107.292 | 3933.7 | Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J. Control of cerium oxidation state through metal complex secondary structures Chem. Sci., 2015, 6, 6925 |
| 1529403 | CIF | C57 H79 Br2 N4 Si2 | C 1 2/c 1 | 38.86; 15.6626; 22.7308 90; 125.774; 90 | 11224.8 | Arz, Marius I.; Geiß, Daniel; Straßmann, Martin; Schnakenburg, Gregor; Filippou, Alexander C. Silicon(i) chemistry: the NHC-stabilised silicon(i) halides Si2X2(Idipp)2(X = Br, I) and the disilicon(i)-iodido cation [Si2(I)(Idipp)2]+ Chem. Sci., 2015, 6, 6515 |
| 1529404 | CIF | C57 H79 I2 N4 Si2 | C 1 2/c 1 | 38.872; 15.6801; 22.7851 90; 125.507; 90 | 11305.4 | Arz, Marius I.; Geiß, Daniel; Straßmann, Martin; Schnakenburg, Gregor; Filippou, Alexander C. Silicon(i) chemistry: the NHC-stabilised silicon(i) halides Si2X2(Idipp)2(X = Br, I) and the disilicon(i)-iodido cation [Si2(I)(Idipp)2]+ Chem. Sci., 2015, 6, 6515 |
| 1529405 | CIF | C84 H77 B F21 I N4 Si2 | P 1 21/n 1 | 19.9019; 20.2022; 20.2072 90; 99.189; 90 | 8020.3 | Arz, Marius I.; Geiß, Daniel; Straßmann, Martin; Schnakenburg, Gregor; Filippou, Alexander C. Silicon(i) chemistry: the NHC-stabilised silicon(i) halides Si2X2(Idipp)2(X = Br, I) and the disilicon(i)-iodido cation [Si2(I)(Idipp)2]+ Chem. Sci., 2015, 6, 6515 |
| 1529407 | CIF | C166 H146 B4 Cr2 N12 | P -1 | 15.3682; 15.9908; 17.5923 72.813; 69.832; 68.859 | 3712.1 | DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling Chem. Sci., 2015, 6, 6639 |
| 1529408 | CIF | C134 H90 B2 F48 Mn2 N12 | P -1 | 15.0589; 15.8311; 18.4096 75.382; 67.031; 68.819 | 3736 | DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling Chem. Sci., 2015, 6, 6639 |
| 1529409 | CIF | C140 H102 B2 F48 Fe2 N12 O1.5 | P -1 | 15.1719; 15.9218; 18.3985 75.334; 66.781; 68.243 | 3763.5 | DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling Chem. Sci., 2015, 6, 6639 |
| 1529410 | CIF | C134 H76 B2 Co2 F48 N12 | P -1 | 14.8476; 15.9017; 18.21 75.56; 67.648; 68.82 | 3676.39 | DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling Chem. Sci., 2015, 6, 6639 |
| 1529411 | CIF | C292 H264 B6 Cr4 N28 | P -1 | 15.17; 15.9112; 30.3415 90.924; 97.35; 115.288 | 6546.9 | DeGayner, Jordan A.; Jeon, Ie-Rang; Harris, T. David A series of tetraazalene radical-bridged M2(M = CrIII, MnII, FeII, CoII) complexes with strong magnetic exchange coupling Chem. Sci., 2015, 6, 6639 |
| 1529425 | CIF | C131 H158 N8 O15 P6 Pt3 | P 63/m | 23.8013; 23.8013; 13.6022 90; 90; 120 | 6673.3 | Loughrey, Jonathan J.; Patmore, Nathan J.; Baldansuren, Amgalanbaatar; Fielding, Alistair J.; McInnes, Eric J. L.; Hardie, Michaele J.; Sproules, Stephen; Halcrow, Malcolm A. Platinum(ii) complexes of mixed-valent radicals derived from cyclotricatechylene, a macrocyclic tris-dioxolene Chem. Sci., 2015, 6, 6935 |
| 1529426 | CIF | C104.7 H101.78 N1.3 O9.84 P6 Pt3 | P 1 21 1 | 14.86; 23.898; 15.103 90; 98.87; 90 | 5299.3 | Loughrey, Jonathan J.; Patmore, Nathan J.; Baldansuren, Amgalanbaatar; Fielding, Alistair J.; McInnes, Eric J. L.; Hardie, Michaele J.; Sproules, Stephen; Halcrow, Malcolm A. Platinum(ii) complexes of mixed-valent radicals derived from cyclotricatechylene, a macrocyclic tris-dioxolene Chem. Sci., 2015, 6, 6935 |
| 1529427 | CIF | C52.59 H37.19 Cl1.19 N6 O4 | F d d d | 23.5964; 37.347; 40.0789 90; 90; 90 | 35319.7 | Windle, Christopher D.; George, Michael W.; Perutz, Robin N.; Summers, Peter A.; Sun, Xue Zhong; Whitwood, Adrian C. Comparison of rhenium‒porphyrin dyads for CO2photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy Chem. Sci., 2015, 6, 6847 |
| 1529428 | CIF | C67.5 H49 Cl5 F6 N8 O4 P Re Zn | P -1 | 12.9474; 15.8804; 17.3277 98.752; 92.264; 106.821 | 3357.4 | Windle, Christopher D.; George, Michael W.; Perutz, Robin N.; Summers, Peter A.; Sun, Xue Zhong; Whitwood, Adrian C. Comparison of rhenium‒porphyrin dyads for CO2photoreduction: photocatalytic studies and charge separation dynamics studied by time-resolved IR spectroscopy Chem. Sci., 2015, 6, 6847 |
| 1529471 | CIF | C56.5 H50 B2 F15 Mg N3 O3 | P -1 | 11.7916; 13.46; 18.239 86.434; 88.133; 69.802 | 2711.3 | Lampland, Nicole L.; Pindwal, Aradhana; Neal, Steven R.; Schlauderaff, Shealyn; Ellern, Arkady; Sadow, Aaron D. Magnesium-catalyzed hydrosilylation of α,β-unsaturated esters Chem. Sci., 2015, 6, 6901 |
| 1529474 | CIF | C15 H21 I O | C 1 2 1 | 22.448; 6.0248; 11.443 90; 97.517; 90 | 1534.3 | Shen, Zhigao; Pan, Xixian; Lai, Yisheng; Hu, Jiadong; Wan, Xiaolong; Li, Xiaoge; Zhang, Hui; Xie, Weiqing Chiral ion-pair organocatalyst promotes highly enantioselective 3-exo iodo-cycloetherification of allyl alcohols Chem. Sci., 2015, 6, 6986 |
| 1529475 | CIF | C19 H19 I N4 O4 | P 1 21 1 | 10.31; 7.955; 11.875 90; 90.15; 90 | 973.9 | Shen, Zhigao; Pan, Xixian; Lai, Yisheng; Hu, Jiadong; Wan, Xiaolong; Li, Xiaoge; Zhang, Hui; Xie, Weiqing Chiral ion-pair organocatalyst promotes highly enantioselective 3-exo iodo-cycloetherification of allyl alcohols Chem. Sci., 2015, 6, 6986 |
| 1529476 | CIF | C22 H18 Br2 O4 | P 3 c 1 | 40.346; 40.346; 17.984 90; 90; 120 | 25352 | White, Nicholas G.; MacLachlan, Mark J. Anion-templated hexagonal nanotubes Chem. Sci., 2015, 6, 6245 |
| 1529477 | CIF | C54 H90 Br2 N2 O4 | P 3 c 1 | 40.346; 40.346; 17.984 90; 90; 120 | 25352 | White, Nicholas G.; MacLachlan, Mark J. Anion-templated hexagonal nanotubes Chem. Sci., 2015, 6, 6245 |
| 1529478 | CIF | C54 H88 Br2 N2 O6 | R 3 c :H | 39.973; 39.973; 18.0631 90; 90; 120 | 24995 | White, Nicholas G.; MacLachlan, Mark J. Anion-templated hexagonal nanotubes Chem. Sci., 2015, 6, 6245 |
| 1529479 | CIF | C54 H88 Br2 N2 O6 | R 3 c :H | 39.896; 39.896; 18.0796 90; 90; 120 | 24922 | White, Nicholas G.; MacLachlan, Mark J. Anion-templated hexagonal nanotubes Chem. Sci., 2015, 6, 6245 |
| 1529506 | CIF | C19 H16 O2 | C 1 2 1 | 14.321; 8.9769; 11.71 90; 91.66; 90 | 1504.78 | Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] – the Fe-catalyzed Cloke–Wilson rearrangement of vinyl and arylcyclopropanes Chem. Sci., 2015, 6, 7034 |
| 1529507 | CIF | C19 H16 O2 | P 1 21 1 | 6.3155; 7.7433; 15.0935 90; 100.579; 90 | 725.57 | Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] – the Fe-catalyzed Cloke–Wilson rearrangement of vinyl and arylcyclopropanes Chem. Sci., 2015, 6, 7034 |
| 1529508 | CIF | C19 H16 O2 | C 1 2 1 | 14.3185; 8.9738; 11.7148 90; 91.675; 90 | 1504.61 | Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] – the Fe-catalyzed Cloke–Wilson rearrangement of vinyl and arylcyclopropanes Chem. Sci., 2015, 6, 7034 |
| 1529509 | CIF | C19 H16 O2 | P 1 21 1 | 6.309; 7.753; 15.117 90; 100.736; 90 | 726.5 | Lin, Che-Hung; Pursley, Dominik; Klein, Johannes E. M. N.; Teske, Johannes; Allen, Jennifer A.; Rami, Fabian; Köhn, Andreas; Plietker, Bernd Non-decarbonylative photochemical versus thermal activation of Bu4N[Fe(CO)3(NO)] – the Fe-catalyzed Cloke–Wilson rearrangement of vinyl and arylcyclopropanes Chem. Sci., 2015, 6, 7034 |
| 1530394 | CIF | C273 H261 Cl14 N O4 | P 1 21/n 1 | 16.1937; 43.708; 33.799 90; 92.7924; 90 | 23894 | Golling, Florian E.; Osella, Silvio; Quernheim, Martin; Wagner, Manfred; Beljonne, David; Müllen, Klaus π-extended [12]cycloparaphenylenes: from a hexaphenylbenzene cyclohexamer to its unexpected C2-symmetric congener Chem. Sci., 2015, 6, 7072 |
| 1530395 | CIF | C46 H52 Br2 | P 1 21/c 1 | 12.9767; 10.3514; 15.6662 90; 105.739; 90 | 2025.5 | Golling, Florian E.; Osella, Silvio; Quernheim, Martin; Wagner, Manfred; Beljonne, David; Müllen, Klaus π-extended [12]cycloparaphenylenes: from a hexaphenylbenzene cyclohexamer to its unexpected C2-symmetric congener Chem. Sci., 2015, 6, 7072 |
| 1530396 | CIF | C14 H30 Cl4 N4 Ni O4 | P c a 21 | 12.3629; 12.8888; 13.1011 90; 90; 90 | 2087.6 | Marriott, Katie E. R.; Bhaskaran, Lakshmi; Wilson, Claire; Medarde, Marisa; Ochsenbein, Stefan T.; Hill, Stephen; Murrie, Mark Pushing the limits of magnetic anisotropy in trigonal bipyramidal Ni(ii) Chem. Sci., 2015, 6, 6823 |
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