Crystallography Open Database

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1529316 CIFC70 H79 Co2 N9 O4P 32 2 114.064; 14.064; 27.143
90; 90; 120
4649.5Villanueva, Omar; Weldy, Nina Mace; Blakey, Simon B.; MacBeth, Cora E.
Cobalt catalyzed sp3C–H amination utilizing aryl azides
Chem. Sci., 2015, 6, 6672
1529321 CIFC56 H68 N4 O13F 4 3 236.2659; 36.2659; 36.2659
90; 90; 90
47697.5Barker, 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 CIFC24 H27 N O3P -111.3191; 11.464; 18.1291
93.847; 101.554; 114.578
2065.9Tan, 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 CIFC27 H23 N O3P 1 21/c 19.9721; 14.3477; 15.3171
90; 106.912; 90
2096.7Tan, 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 CIFC25 H19 Bi F9 N5 O9 S3P -19.3667; 13.6119; 13.6823
77.1774; 87.8299; 79.1523
1670.6Chitnis, 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 CIFC41 H51 F9 N5 O9 P S3P -111.6535; 14.5562; 14.588
88.2712; 80.7875; 88.0482
2440.47Chitnis, 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 CIFC44.67 H56.5 As F9 N6.83 O9 S3P -115.0217; 18.4434; 31.1243
93.909; 101.339; 99.3536
8297.5Chitnis, 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 CIFC41 H51 F9 N5 O9 S3 SbP 1 21/n 114.0078; 17.6534; 22.0396
90; 108.34; 90
5173.3Chitnis, 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 CIFC27 H34.5 F9 N7.5 O9 P S3P -113.2699; 15.788; 20.4958
76.0415; 87.922; 73.566
3994.6Chitnis, 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 CIFC28 H36 As F9 N8 O9 S3P -112.3457; 13.3802; 14.5721
81.4461; 66.6056; 72.0828
2101.1Chitnis, 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 CIFC27 H22 F9 N6 O9 P S3C 1 2/c 128.5371; 13.8414; 21.8775
90; 124.553; 90
7117.1Chitnis, 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 CIFC41 H59 B Ir N O2 P2P -114.2754; 16.7152; 18.3801
66.601; 89.641; 87.421
4020.7Lee, 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 CIFC38 H64 B2 Ir N O4 P2P 1 21/c 115.139; 11.8769; 23.409
90; 95.654; 90
4188.6Lee, 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 CIFC47 H61 B F4 Ir N O2 P2P 1 21/c 114.781; 26.065; 12.544
90; 107.16; 90
4618Lee, 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 CIFC32 H53 B Ir N O2 P2P 1 21/c 114.792; 17.546; 14.1242
90; 110.435; 90
3435.1Lee, 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 CIFC24 H41 F8 N2 Ni O3 PP 1 21/c 115.5474; 9.9548; 19.6379
90; 92.862; 90
3035.6Andrella, 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 CIFC31 H38 F8 N2 NiP 21 21 2110.8851; 15.544; 18.9208
90; 90; 90
3201.4Andrella, 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 CIFC35 H45 F10 N2 Ni O3 SP 1 21/c 110.2361; 16.5042; 22.6115
90; 90.96; 90
3819.4Andrella, 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 CIFC33 H41 F7 N2 Ni O2P 1 21/c 19.7181; 18.216; 19.2228
90; 92.18; 90
3400.5Andrella, 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 CIFC37 H46 F8 N2 Ni OP 1 21/c 116.5255; 10.6186; 20.8839
90; 101.931; 90
3585.5Andrella, 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 CIFC87 H75 N4 O4P -111.962; 15.81; 19.746
97.277; 99.848; 100.275
3572Katoono, 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 CIFC68 H60 Ce Li4 N12F d d d :211.4483; 43.06; 24.522
90; 90; 90
12088.5Levin, 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 CIFC88 H80 Ce N16 Na4P -113.9504; 16.2467; 19.0053
83.136; 83.696; 84.993
4238.8Levin, 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 CIFC83 H75 Ce K5 N15P -115.2003; 15.4668; 18.0353
93.849; 101.333; 107.292
3933.7Levin, 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 CIFC57 H79 Br2 N4 Si2C 1 2/c 138.86; 15.6626; 22.7308
90; 125.774; 90
11224.8Arz, 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 CIFC57 H79 I2 N4 Si2C 1 2/c 138.872; 15.6801; 22.7851
90; 125.507; 90
11305.4Arz, 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 CIFC84 H77 B F21 I N4 Si2P 1 21/n 119.9019; 20.2022; 20.2072
90; 99.189; 90
8020.3Arz, 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 CIFC166 H146 B4 Cr2 N12P -115.3682; 15.9908; 17.5923
72.813; 69.832; 68.859
3712.1DeGayner, 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 CIFC134 H90 B2 F48 Mn2 N12P -115.0589; 15.8311; 18.4096
75.382; 67.031; 68.819
3736DeGayner, 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 CIFC140 H102 B2 F48 Fe2 N12 O1.5P -115.1719; 15.9218; 18.3985
75.334; 66.781; 68.243
3763.5DeGayner, 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 CIFC134 H76 B2 Co2 F48 N12P -114.8476; 15.9017; 18.21
75.56; 67.648; 68.82
3676.39DeGayner, 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 CIFC292 H264 B6 Cr4 N28P -115.17; 15.9112; 30.3415
90.924; 97.35; 115.288
6546.9DeGayner, 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 CIFC131 H158 N8 O15 P6 Pt3P 63/m23.8013; 23.8013; 13.6022
90; 90; 120
6673.3Loughrey, 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 CIFC104.7 H101.78 N1.3 O9.84 P6 Pt3P 1 21 114.86; 23.898; 15.103
90; 98.87; 90
5299.3Loughrey, 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 CIFC52.59 H37.19 Cl1.19 N6 O4F d d d23.5964; 37.347; 40.0789
90; 90; 90
35319.7Windle, 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 CIFC67.5 H49 Cl5 F6 N8 O4 P Re ZnP -112.9474; 15.8804; 17.3277
98.752; 92.264; 106.821
3357.4Windle, 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 CIFC56.5 H50 B2 F15 Mg N3 O3P -111.7916; 13.46; 18.239
86.434; 88.133; 69.802
2711.3Lampland, 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 CIFC15 H21 I OC 1 2 122.448; 6.0248; 11.443
90; 97.517; 90
1534.3Shen, 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 CIFC19 H19 I N4 O4P 1 21 110.31; 7.955; 11.875
90; 90.15; 90
973.9Shen, 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 CIFC22 H18 Br2 O4P 3 c 140.346; 40.346; 17.984
90; 90; 120
25352White, Nicholas G.; MacLachlan, Mark J.
Anion-templated hexagonal nanotubes
Chem. Sci., 2015, 6, 6245
1529477 CIFC54 H90 Br2 N2 O4P 3 c 140.346; 40.346; 17.984
90; 90; 120
25352White, Nicholas G.; MacLachlan, Mark J.
Anion-templated hexagonal nanotubes
Chem. Sci., 2015, 6, 6245
1529478 CIFC54 H88 Br2 N2 O6R 3 c :H39.973; 39.973; 18.0631
90; 90; 120
24995White, Nicholas G.; MacLachlan, Mark J.
Anion-templated hexagonal nanotubes
Chem. Sci., 2015, 6, 6245
1529479 CIFC54 H88 Br2 N2 O6R 3 c :H39.896; 39.896; 18.0796
90; 90; 120
24922White, Nicholas G.; MacLachlan, Mark J.
Anion-templated hexagonal nanotubes
Chem. Sci., 2015, 6, 6245
1529506 CIFC19 H16 O2C 1 2 114.321; 8.9769; 11.71
90; 91.66; 90
1504.78Lin, 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 CIFC19 H16 O2P 1 21 16.3155; 7.7433; 15.0935
90; 100.579; 90
725.57Lin, 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 CIFC19 H16 O2C 1 2 114.3185; 8.9738; 11.7148
90; 91.675; 90
1504.61Lin, 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 CIFC19 H16 O2P 1 21 16.309; 7.753; 15.117
90; 100.736; 90
726.5Lin, 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 CIFC273 H261 Cl14 N O4P 1 21/n 116.1937; 43.708; 33.799
90; 92.7924; 90
23894Golling, 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 CIFC46 H52 Br2P 1 21/c 112.9767; 10.3514; 15.6662
90; 105.739; 90
2025.5Golling, 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 CIFC14 H30 Cl4 N4 Ni O4P c a 2112.3629; 12.8888; 13.1011
90; 90; 90
2087.6Marriott, 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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