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 |
1530691 | CIF | C42 H52 Cl Co N4 | P 1 21/c 1 | 23.591; 10.436; 15.7392 90; 101.118; 90 | 3802.2 | Meng, Yin-Shan; Mo, Zhenbo; Wang, Bing-Wu; Zhang, Yi-Quan; Deng, Liang; Gao, Song Observation of the single-ion magnet behavior of d8ions on two-coordinate Co(i)‒NHC complexes Chem. Sci., 2015, 6, 7156 |
1530692 | CIF | C66 H72 B Co N4 | C 1 2/c 1 | 29.581; 11.9267; 32.317 90; 101.11; 90 | 11187.9 | Meng, Yin-Shan; Mo, Zhenbo; Wang, Bing-Wu; Zhang, Yi-Quan; Deng, Liang; Gao, Song Observation of the single-ion magnet behavior of d8ions on two-coordinate Co(i)‒NHC complexes Chem. Sci., 2015, 6, 7156 |
1530693 | CIF | C78 H76 B Co F24 N4 | P 42/n :2 | 14.0529; 14.0529; 18.2643 90; 90; 90 | 3606.9 | Meng, Yin-Shan; Mo, Zhenbo; Wang, Bing-Wu; Zhang, Yi-Quan; Deng, Liang; Gao, Song Observation of the single-ion magnet behavior of d8ions on two-coordinate Co(i)‒NHC complexes Chem. Sci., 2015, 6, 7156 |
1531037 | CIF | C180 H48 O32 Zr6 | F m -3 m | 45.887; 45.887; 45.887 90; 90; 90 | 96620 | Sawano, Takahiro; Ji, Pengfei; McIsaac, Alexandra R.; Lin, Zekai; Abney, Carter W.; Lin, Wenbin The first chiral diene-based metal‒organic frameworks for highly enantioselective carbon‒carbon bond formation reactions Chem. Sci., 2015, 6, 7163 |
1531038 | CIF | C107 H168 Fe2 N14 P2 Si6 | P -1 | 11.5288; 12.5203; 21.155 73.555; 75.604; 74.65 | 2774 | Metsänen, Toni T.; Gallego, Daniel; Szilvási, Tibor; Driess, Matthias; Oestreich, Martin Peripheral mechanism of a carbonyl hydrosilylation catalysed by an SiNSi iron pincer complex Chem. Sci., 2015, 6, 7143 |
1531040 | CIF | C16 H16 F N2 O5 V | P 1 21/c 1 | 7.9908; 17.1771; 11.9692 90; 100.208; 90 | 1616.87 | Gazi, Sarifuddin; Hung Ng, Wilson Kwok; Ganguly, Rakesh; Putra Moeljadi, Adhitya Mangala; Hirao, Hajime; Soo, Han Sen Selective photocatalytic C‒C bond cleavage under ambient conditions with earth abundant vanadium complexes Chem. Sci., 2015, 6, 7130 |
1531041 | CIF | C30 H44 N2 O8 V2 | C 1 2/c 1 | 12.1706; 11.0345; 23.8844 90; 100.883; 90 | 3149.9 | Gazi, Sarifuddin; Hung Ng, Wilson Kwok; Ganguly, Rakesh; Putra Moeljadi, Adhitya Mangala; Hirao, Hajime; Soo, Han Sen Selective photocatalytic C‒C bond cleavage under ambient conditions with earth abundant vanadium complexes Chem. Sci., 2015, 6, 7130 |
1531042 | CIF | C15 H22 N O4 V | P n a 21 | 14.7897; 13.1867; 7.8841 90; 90; 90 | 1537.62 | Gazi, Sarifuddin; Hung Ng, Wilson Kwok; Ganguly, Rakesh; Putra Moeljadi, Adhitya Mangala; Hirao, Hajime; Soo, Han Sen Selective photocatalytic C‒C bond cleavage under ambient conditions with earth abundant vanadium complexes Chem. Sci., 2015, 6, 7130 |
1531044 | CIF | C30 H22 O4 | P 1 21 1 | 7.0717; 8.8439; 19.5443 90; 96.556; 90 | 1214.33 | Wang, De; Wang, Guo-Peng; Sun, Yao-Liang; Zhu, Shou-Fei; Wei, Yin; Zhou, Qi-Lin; Shi, Min Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones Chem. Sci., 2015, 6, 7319 |
1531045 | CIF | C38.5 H29 Cl O4 | C 1 2 1 | 16.8074; 10.9989; 16.649 90; 92.018; 90 | 3075.9 | Wang, De; Wang, Guo-Peng; Sun, Yao-Liang; Zhu, Shou-Fei; Wei, Yin; Zhou, Qi-Lin; Shi, Min Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones Chem. Sci., 2015, 6, 7319 |
1531046 | CIF | C27 H23 N O4 | P 1 21 1 | 8.1626; 12.2302; 11.0742 90; 101.402; 90 | 1083.72 | Wang, De; Wang, Guo-Peng; Sun, Yao-Liang; Zhu, Shou-Fei; Wei, Yin; Zhou, Qi-Lin; Shi, Min Chiral phosphine-catalyzed tunable cycloaddition reactions of allenoates with benzofuranone-derived olefins for a highly regio-, diastereo- and enantioselective synthesis of spiro-benzofuranones Chem. Sci., 2015, 6, 7319 |
1531316 | CIF | C24 H17 N O | P 1 21/n 1 | 12.9997; 21.3361; 13.502 90; 106.398; 90 | 3592.6 | Poudel, Tej Narayan; Lee, Yong Rok Construction of highly functionalized carbazoles via condensation of an enolate to a nitro group Chem. Sci., 2015, 6, 7028 |
1531937 | CIF | C98 H96 B F24 N2 O Pd Tl | P -1 | 12.7422; 26.6786; 28.5026 99.098; 90.144; 90.509 | 9566.9 | Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S. Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding Chem. Sci., 2015, 6, 7169 |
1531938 | CIF | C108 H102 B F24 N2 Pd Tl | P -1 | 12.5519; 20.2591; 21.647 105.597; 102.325; 97.308 | 5079.1 | Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S. Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding Chem. Sci., 2015, 6, 7169 |
1531939 | CIF | C152 H172 Ag4 F12 N4 O12 Pt2 S4 | P 1 21/n 1 | 11.7798; 29.62; 20.9358 90; 90.39; 90 | 7304.7 | Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S. Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding Chem. Sci., 2015, 6, 7169 |
1531940 | CIF | C81 H92 Ag F3 N2 O3 Pt S | P 1 21/n 1 | 18.6061; 19.7722; 20.9507 90; 106.515; 90 | 7389.5 | Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S. Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding Chem. Sci., 2015, 6, 7169 |
1531941 | CIF | C71 H94 F3 N2 O5 Pt S Tl | P -1 | 13.95; 16.2777; 17.6213 66.887; 70.018; 71.465 | 3379.6 | Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S. Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding Chem. Sci., 2015, 6, 7169 |
1531942 | CIF | C93 H134 Ag F3 N2 O10.5 Pd S | P 21 21 21 | 15.5936; 21.315; 24.141 90; 90; 90 | 8023.9 | Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S. Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding Chem. Sci., 2015, 6, 7169 |
1531943 | CIF | C79 H106 Ag F3 N5 O4 Pt S | P 21 21 21 | 15.6478; 21.2503; 24.077 90; 90; 90 | 8006.1 | Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S. Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding Chem. Sci., 2015, 6, 7169 |
1531944 | CIF | C84 H98 Ag F3 N2 O3 Pd S | P -1 | 14.5289; 15.663; 17.673 96.662; 109.412; 94.019 | 3742.1 | Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S. Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding Chem. Sci., 2015, 6, 7169 |
1531945 | CIF | C98 H96 B F24 N2 O Pt Tl | P -1 | 12.7326; 26.642; 28.428 99.2; 90.224; 90.514 | 9518.8 | Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S. Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding Chem. Sci., 2015, 6, 7169 |
1531946 | CIF | C94 H86 B F24 N2 Pt Tl | P -1 | 14.6265; 20.6542; 31.1986 76.597; 79.378; 89.566 | 9005.2 | Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S. Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding Chem. Sci., 2015, 6, 7169 |
1531947 | CIF | C3 H7 Cl3 I0 N O0 Pb | P 43 21 2 | 10.4482; 10.4482; 14.7573 90; 90; 90 | 1611 | Wang, Guan-E; Xu, Gang; Wang, Ming-Sheng; Cai, Li-Zhen; Li, Wen-Hua; Guo, Guo-Cong Semiconductive 3-D haloplumbate framework hybrids with high color rendering index white-light emission Chem. Sci., 2015, 6, 7222 |
1531948 | CIF | C80 H180 Cl59 N16 O2 Pb21 | P 1 21/c 1 | 21.2016; 15.9211; 26.4092 90; 91.811; 90 | 8910 | Wang, Guan-E; Xu, Gang; Wang, Ming-Sheng; Cai, Li-Zhen; Li, Wen-Hua; Guo, Guo-Cong Semiconductive 3-D haloplumbate framework hybrids with high color rendering index white-light emission Chem. Sci., 2015, 6, 7222 |
1532452 | CIF | C15 H34 I2 N4 Ni O4 S2 | P -1 | 10.141; 11.619; 11.643 86.263; 69.71; 76.551 | 1251.3 | Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y. The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes Chem. Sci., 2015, 6, 7079 |
1532453 | CIF | C15 H29 Co N2 O6 S2 | P -1 | 7.5419; 8.0477; 16.687 78.174; 82.069; 86.421 | 981.2 | Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y. The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes Chem. Sci., 2015, 6, 7079 |
1532454 | CIF | C15 H28 Fe N2 O6 S2 | P -1 | 7.486; 8.04; 16.74 78.165; 82.235; 86.603 | 976.6 | Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y. The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes Chem. Sci., 2015, 6, 7079 |
1532455 | CIF | C30 H56 Cu2 N4 O12 S4 | C 1 2/c 1 | 19.683; 12.1661; 19.517 90; 106.346; 90 | 4484.7 | Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y. The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes Chem. Sci., 2015, 6, 7079 |
1532456 | CIF | C11 H24 N2 O2 S2 | P 1 21/c 1 | 9.6252; 12.3461; 12.2335 90; 103.606; 90 | 1413 | Denny, J. A.; Foley, W. S.; Todd, A. D.; Darensbourg, M. Y. The ligand unwrapping/rewrapping pathway that exchanges metals in S-acetylated, hexacoordinate N2S2O2complexes Chem. Sci., 2015, 6, 7079 |
1532465 | CIF | C47.5 H62.5 F6 N1.5 O6.5 P | P 1 2/c 1 | 15.9874; 18.0758; 18.1871 90; 107.85; 90 | 5002.8 | Jia, Fei; He, Zhenfeng; Yang, Liu-Pan; Pan, Zhi-Sheng; Yi, Min; Jiang, Ren-Wang; Jiang, Wei Oxatub[4]arene: a smart macrocyclic receptor with multiple interconvertible cavities Chem. Sci., 2015, 6, 6731 |
1532466 | CIF | C138 H129 F18 N3 O18 P3 | R -3 :H | 43.2165; 43.2165; 12.4664 90; 90; 120 | 20163.7 | Jia, Fei; He, Zhenfeng; Yang, Liu-Pan; Pan, Zhi-Sheng; Yi, Min; Jiang, Ren-Wang; Jiang, Wei Oxatub[4]arene: a smart macrocyclic receptor with multiple interconvertible cavities Chem. Sci., 2015, 6, 6731 |
1532468 | CIF | C82 H116 Cd2 N24 O25 | C 1 2/c 1 | 30.664; 17.225; 27.371 90; 105.9; 90 | 13904 | Sun, Chun-Yi; To, Wai-Pong; Wang, Xin-Long; Chan, Kaai-Tung; Su, Zhong-Min; Che, Chi-Ming Metal‒organic framework composites with luminescent gold(iii) complexes. Strongly emissive and long-lived excited states in open air and photo-catalysis Chem. Sci., 2015, 6, 7105 |
1532469 | CIF | C91.5 H111.5 Ge2 N2 Si2 | P -1 | 10.806; 18.897; 21.557 108.61; 90.43; 103.93 | 4032.1 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
1532470 | CIF | C104 H122 Ge2 N2 O2 Si2 | P 1 21/n 1 | 13.373; 21.643; 15.884 90; 102.62; 90 | 4486.3 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
1532471 | CIF | C46 H57 Ge N Si | P -1 | 10.783; 11.465; 16.298 97.01; 91.76; 92.77 | 1996.1 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
1532472 | CIF | C52 H61 Ge N Si | P 1 21/n 1 | 11.543; 23.7164; 16.3022 90; 97.979; 90 | 4419.7 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
1532473 | CIF | C49 H61 Ge N Si | P 1 21/c 1 | 10.319; 18.286; 22.437 90; 91.27; 90 | 4232.7 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
1532474 | CIF | C50 H63 Ge N Si | P 1 21 1 | 10.2741; 14.6818; 14.6417 90; 102.077; 90 | 2159.71 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
1532475 | CIF | C52 H67 Ge N Si | P 1 21/n 1 | 9.942; 15.413; 28.793 90; 97.18; 90 | 4377.5 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
1532476 | CIF | C46 H57 N Si Sn | P -1 | 10.673; 12.534; 15.493 82.27; 85.09; 73.63 | 1968 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
1532477 | CIF | C52 H68 N Si Sn | P -1 | 10.2591; 13.6505; 17.3164 99.111; 105.293; 95.189 | 2287.3 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
1532478 | CIF | C53 H61 Ge N Si | P 1 21/n 1 | 10.0813; 15.796; 28.096 90; 96.916; 90 | 4441.6 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
1532479 | CIF | C53 H61 N Si Sn | P 1 21/n 1 | 10.1088; 15.7379; 28.106 90; 96.853; 90 | 4439.5 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
1532480 | CIF | C52 H65 Ge N Si | P 1 21/n 1 | 10.003; 15.4017; 28.92 90; 97.698; 90 | 4415.4 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
1532481 | CIF | C49 H63 Ge N Si | P 1 21/n 1 | 11.374; 23.3065; 16.3439 90; 97.891; 90 | 4291.5 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
1532482 | CIF | C49 H62 Cl Ge N Si | P -1 | 10.731; 14.446; 15.647 77.83; 78.54; 69.06 | 2194.2 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
1532483 | CIF | C48 H63 Ge N O Si | P -1 | 10.399; 14.2109; 15.4524 90.483; 101.026; 105.118 | 2159.72 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
1532484 | CIF | C53 H70 N2 O Si Sn | P -1 | 14.604; 15.84; 20.773 88.61; 82.84; 84.99 | 4749.2 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
1532485 | CIF | C112 H154 Ge2 N2 O2 Si2 | P 1 21/n 1 | 15.0392; 12.4994; 26.2128 90; 93.127; 90 | 4920.17 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
1532486 | CIF | C112 H158 N2 O2 Si2 Sn2 | P -1 | 15.4827; 16.4448; 23.7823 72.311; 88.259; 62.908 | 5094.1 | Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes Chem. Sci., 2015, 6, 7249 |
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