Crystallography Open Database

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1514606 CIFC8 H15 F6 N2 PP -18.8215; 9.0796; 9.0381
96.671; 114.768; 103.071		621.82Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.
Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]
Chemical Science, 2013, 4, 1270
1514607 CIFC16 H16 N2 O5 SP 1 21 14.92063; 15.6607; 10.4554
90; 99.6328; 90		794.34Iwai, Yuri; Ozaki, Takashi; Takita, Ryo; Uchiyama, Masanobu; Shimokawa, Jun; Fukuyama, Tohru
Modified McFadyen‒Stevens reaction for a versatile synthesis of aliphatic/aromatic aldehydes: design, optimization, and mechanistic investigations
Chemical Science, 2013, 4, 1111
1514608 CIFC108 H71 F30 N6 O8 S4P -112.2352; 16.6412; 25.9304
76.808; 80.972; 74.261		4922.1Higashino, Tomohiro; Osuka, Atsuhiro
2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base
Chemical Science, 2013, 4, 1087
1514609 CIFC75 H32 Cl4 F30 N6 S4P -112.2654; 15.3627; 24.8758
101.432; 93.5605; 112.749		4186.74Higashino, Tomohiro; Osuka, Atsuhiro
2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base
Chemical Science, 2013, 4, 1087
1514610 CIFC75.78 H37.56 Cl3.56 F30 N6 S4P 1 21/n 116.133; 7.8286; 29.837
90; 102.318; 90		3681.6Higashino, Tomohiro; Osuka, Atsuhiro
2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base
Chemical Science, 2013, 4, 1087
1514611 CIFC119 H162 F3 Fe5 N17 O41 S Yb3P -116.483; 19.8976; 20.2276
76.119; 74.622; 81.57		6185.3Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.
Ringing the changes in Feiii/Ybiii cyclic coordination clusters
Chemical Science, 2013, 4, 4354
1514612 CIFC85 H111 Fe4 N7 O29 Yb2P -114.2113; 18.558; 19.2
84.231; 70.788; 83.144		4737.3Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.
Ringing the changes in Feiii/Ybiii cyclic coordination clusters
Chemical Science, 2013, 4, 4354
1514613 CIFC72 H94 Fe3 N5 O25 Yb2P 1 21/c 119.9227; 19.679; 22.0382
90; 108.184; 90		8208.8Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.
Ringing the changes in Feiii/Ybiii cyclic coordination clusters
Chemical Science, 2013, 4, 4354
1514614 CIFC61 H115 Fe4 N7 O27 S2 Yb2P 1 21/c 114.449; 24.951; 23.76
90; 101.82; 90		8384Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.
Ringing the changes in Feiii/Ybiii cyclic coordination clusters
Chemical Science, 2013, 4, 4354
1514615 CIFC182 H353 Fe10 N51 O90 Yb10P -116.553; 20.5964; 21.1312
108.791; 101.118; 95.993		6583.9Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.
Ringing the changes in Feiii/Ybiii cyclic coordination clusters
Chemical Science, 2013, 4, 4354
1514616 CIFC46 H60 N2 O14 Yb2P 1 21/n 19.898; 14.2365; 17.039
90; 94.369; 90		2394Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.
Ringing the changes in Feiii/Ybiii cyclic coordination clusters
Chemical Science, 2013, 4, 4354
1514617 CIFC17 H31 Cl N2 O6P 3132.591; 32.591; 5.1877
90; 90; 120		4772Merkx, Remco; de Bruin, Gerjan; Kruithof, Art; van den Bergh, Toine; Snip, Erwin; Lutz, Martin; El Oualid, Farid; Ovaa, Huib
Scalable synthesis of γ-thiolysine starting from lysine and a side by side comparison with δ-thiolysine in non-enzymatic ubiquitination
Chemical Science, 2013, 4, 4494
1514618 CIFC52 H62 N4 O10 S2P -17.5487; 12.3687; 13.3085
86.885; 79.43; 78.079		1194.98Wu, Guanglu; Verwilst, Peter; Liu, Kai; Smet, Mario; Faul, Charl F. J.; Zhang, Xi
Controlling the self-assembly of cationic bolaamphiphiles: counterion-directed transitions from 0D/1D to exclusively 2D planar structures
Chemical Science, 2013, 4, 4486
1514619 CIFC65 H88 Mg2 N4 O3P 21 21 2110.8296; 22.4623; 24.9069
90; 90; 90		6058.8Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron
The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry
Chemical Science, 2013, 4, 4383
1514620 CIFC59 H82 Mg2 N4 O3C 1 2/c 148.559; 13.67; 17.5247
90; 103.46; 90		11313.4Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron
The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry
Chemical Science, 2013, 4, 4383
1514621 CIFC60 H82 Mg2 N4 O4P c c n14.5246; 15.621; 25.9215
90; 90; 90		5881.3Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron
The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry
Chemical Science, 2013, 4, 4383
1514622 CIFC58 H84 Mg2 N4 O2C 1 2/c 122.886; 14.823; 16.196
90; 90.65; 90		5494Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron
The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry
Chemical Science, 2013, 4, 4383
1514623 CIFC72 H104 Mg2 N4 O3P -112.168; 12.6241; 13.176
98.046; 111.433; 109.68		1692.2Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron
The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry
Chemical Science, 2013, 4, 4383
1514624 CIFC73 H106 Mg2 N4 O4P 1 21/n 112.749; 14.372; 18.802
90; 95.03; 90		3431.8Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron
The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry
Chemical Science, 2013, 4, 4383
1514625 CIFC59 H82 Mg2 N4 O S2P b c a14.86; 17.21; 45.3
90; 90; 90		11585Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron
The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry
Chemical Science, 2013, 4, 4383
1514626 CIFC83 H116 Mg2 N6 OP 31 2 112.0374; 12.0374; 44.799
90; 90; 120		5621.7Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron
The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry
Chemical Science, 2013, 4, 4383
1514627 CIFC63 H92 Mg2 N4 O2 S2P -113.1816; 16.205; 31.9827
79.216; 83.332; 68.828		6249.3Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron
The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry
Chemical Science, 2013, 4, 4383
1514628 CIFC26 H23 N O3 SP 1 21 18.6436; 12.2137; 10.588
90; 100.721; 90		1098.27Nishimura, Takahiro; Nagamoto, Midori; Ebe, Yusuke; Hayashi, Tamio
Enantioselective [3 + 2] annulation via C‒H activation between cyclic N-acyl ketimines and 1,3-dienes catalyzed by iridium/chiral diene complexes
Chemical Science, 2013, 4, 4499
1514629 CIFC15 H16 N4 O4P 1 21/c 111.2358; 9.1056; 15.9131
90; 104.579; 90		1575.6Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William
The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal
Chemical Science, 2013, 4, 4417
1514630 CIFC15 H15 F N4 O4P 1 21/c 111.30697; 9.06586; 15.94455
90; 105.28; 90		1576.66Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William
The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal
Chemical Science, 2013, 4, 4417
1514631 CIFC15 H15 F N4 O4P -18.78113; 10.06607; 10.5609
105.871; 72.7172; 71.1516		769.83Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William
The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal
Chemical Science, 2013, 4, 4417
1514632 CIFC15 H14 F2 N4 O4P 1 21/c 111.39598; 9.15968; 15.8701
90; 104.025; 90		1607.2Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William
The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal
Chemical Science, 2013, 4, 4417
1514633 CIFC15 H14 F2 N4 O4P 1 21/c 111.36104; 9.11522; 15.8828
90; 101.777; 90		1610.2Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William
The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal
Chemical Science, 2013, 4, 4417
1514634 CIFC15 H14 F2 N4 O4P 1 21/c 111.33562; 9.12362; 15.9442
90; 104.26; 90		1598.17Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William
The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal
Chemical Science, 2013, 4, 4417
1514635 CIFC15 H12 F4 N4 O4P 1 21/c 114.263; 8.13716; 16.0129
90; 121.214; 90		1589.4Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William
The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal
Chemical Science, 2013, 4, 4417
1514636 CIFC36 H20 N4 S4P 1 21/c 113.2146; 8.7249; 26.334
90; 98.44; 90		3003.32Mouri, Kazuhiro; Saito, Shohei; Hisaki, Ichiro; Yamaguchi, Shigehiro
Thermal 8π electrocyclic reaction of heteroarene tetramers: new efficient access to π-extended cyclooctatetraenes
Chemical Science, 2013, 4, 4465
1514637 CIFC42 H46 B2 F12 N10 O Rh2P 1 21/c 111.042; 32.589; 14.243
90; 100.66; 90		5036.9Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.
Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study
Chemical Science, 2013, 4, 4470
1514638 CIFC40 H46 B2 F8 N12 Rh2P b c a14.135; 21.331; 31.17
90; 90; 90		9398Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.
Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study
Chemical Science, 2013, 4, 4470
1514639 CIFC42 H48 B2 F8 N10 Rh2P b c a14.338; 21.619; 31.136
90; 90; 90		9651Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.
Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study
Chemical Science, 2013, 4, 4470
1514640 CIFC42 H46 B2 F12 N10 O Rh2P 1 21/c 111.11; 31.777; 14.195
90; 101.13; 90		4917.2Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.
Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study
Chemical Science, 2013, 4, 4470
1514641 CIFC40 H46 B2 F8 N12 Rh2P b c a14.126; 21.399; 31.434
90; 90; 90		9502Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.
Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study
Chemical Science, 2013, 4, 4470
1514642 CIFC48 H46 B2 F8 N6 P2 Rh2P 1 21/c 122.272; 22.161; 22.409
90; 119.43; 90		9633Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.
Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study
Chemical Science, 2013, 4, 4470
1514643 CIFC22 H20 OP 1 21/c 116.0527; 5.5303; 20.7663
90; 115.425; 90		1665Franzoni, Ivan; Guénée, Laure; Mazet, Clément
Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes
Chemical Science, 2013, 4, 2619
1514644 CIFC20 H24 O2P b c a9.79459; 10.18235; 34.1007
90; 90; 90		3400.93Franzoni, Ivan; Guénée, Laure; Mazet, Clément
Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes
Chemical Science, 2013, 4, 2619
1514645 CIFC28 H27 Br F3 N O8 SP 1 21 111.663; 5.822; 21.566
90; 100.89; 90		1438Zhang, Wei; Liu, Na; Schienebeck, Casi M.; Zhou, Xin; Izhar, Izarin I.; Guzei, Ilia A.; Tang, Weiping
Enantioselective intermolecular bromoesterification of allylic sulfonamides
Chemical Science, 2013, 4, 2652
1514646 CIFC19 H13 F2 N4 O3 PtP 1 21/m 16.9645; 25.7559; 9.9824
90; 99.152; 90		1767.82Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming
Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors
Chemical Science, 2013, 4, 2630
1514647 CIFC20 H14 Cl2 F2 N4 O2 PtP 1 21/c 111.5589; 8.2655; 22.3063
90; 111.907; 90		1977.3Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming
Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors
Chemical Science, 2013, 4, 2630
1514648 CIFC20.5 H13 Cl N3P -18.1851; 8.5344; 13.5521
94.129; 99.175; 114.976		836.84Koenig, Matthias; Bottari, Giovanni; Brancato, Giuseppe; Barone, Vincenzo; Guldi, Dirk M.; Torres, Tomás
Unraveling the peculiar modus operandi of a new class of solvatochromic fluorescent molecular rotors by spectroscopic and quantum mechanical methods
Chemical Science, 2013, 4, 2502
1514650 CIFC54 H95 Fe N10 O6P 1 21 121.267; 11.483; 26.049
90; 111.875; 90		5903.4Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe
Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state
Chemical Science, 2013, 4, 2463
1514651 CIFC29 H27 B2 Co F8 N5 OC 1 2/c 121.346; 12.362; 12.855
90; 120.033; 90		2936.7Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe
Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state
Chemical Science, 2013, 4, 2463
1514652 CIFC22 H15 F0 Fe N8 OP 1 21/c 110.9398; 22.107; 16.8809
90; 92.003; 90		4080.1Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe
Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state
Chemical Science, 2013, 4, 2463
1514653 CIFC107 H92 Co2 Fe2 N26 O5P 1 21/c 113.5995; 14.2091; 24.965
90; 103.148; 90		4697.7Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe
Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state
Chemical Science, 2013, 4, 2463
1514654 CIFC107 H92 Co2 Fe2 N26 O5P 1 21/c 113.6545; 14.348; 25.328
90; 102.313; 90		4848Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe
Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state
Chemical Science, 2013, 4, 2463
1514655 CIFC39 H17 B F15 PP 1 21/n 19.9184; 20.5507; 17.2472
90; 101.677; 90		3442.74Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard
Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs
Chemical Science, 2013, 4, 2657
1514656 CIFC34 H20 B F10 PP 1 21/c 18.3314; 23.9142; 14.7962
90; 90.618; 90		2947.8Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard
Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs
Chemical Science, 2013, 4, 2657
1514657 CIFC44 H26 B F15 N PP 1 21/c 113.8351; 11.5678; 30.569
90; 101.896; 90		4787.2Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard
Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs
Chemical Science, 2013, 4, 2657
1514658 CIFC39 H29 B F10 N PP -110.1806; 10.4896; 17.7612
94.693; 95.33; 112.36		1732.34Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard
Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs
Chemical Science, 2013, 4, 2657
1514659 CIFC46 H30 B Cl4 F15 N PP 1 21/n 117.6472; 14.6343; 18.4267
90; 103.288; 90		4631.4Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard
Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs
Chemical Science, 2013, 4, 2657
1514660 CIFC39.5 H30 B Cl F10 N PC 1 2/c 139.1199; 16.3061; 23.4811
90; 97.421; 90		14853Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard
Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs
Chemical Science, 2013, 4, 2657
1514661 CIFC34 H30 Br3 N O4 SP 21 21 2111.8916; 15.4391; 17.7101
90; 90; 90		3251.5Chen, Xingkuan; Fang, Xinqiang; Chi, Yonggui Robin
cis-Enals in N-heterocyclic carbene-catalyzed reactions: distinct stereoselectivity and reactivity
Chemical Science, 2013, 4, 2613
1514662 CIFC32 H37 Cl6 Ir N2 O3P 21 21 218.5561; 28.71; 29.726
90; 90; 90		7302.1Owens, Clayton P.; Varela-Álvarez, Adrián; Boyarskikh, Vyacheslav; Musaev, Djamaladdin G.; Davies, Huw M. L.; Blakey, Simon B.
Iridium(iii)-bis(oxazolinyl)phenyl catalysts for enantioselective C‒H functionalization
Chemical Science, 2013, 4, 2590
1514663 CIFC15 H10 F2 OP 1 21/c 16.6609; 9.7886; 18.8033
90; 106.893; 90		1173.09Agabekov, Vladislav; Seiche, Wolfgang; Breit, Bernhard
Rhodium-catalyzed hydroformylation of alkynes employing a self-assembling ligand system
Chemical Science, 2013, 4, 2418
1514664 CIFC15 H12 OP 1 21/c 15.8262; 21.4617; 9.2279
90; 95.017; 90		1149.44Agabekov, Vladislav; Seiche, Wolfgang; Breit, Bernhard
Rhodium-catalyzed hydroformylation of alkynes employing a self-assembling ligand system
Chemical Science, 2013, 4, 2418
1514665 CIFC55 H54 F6 N O10 PP 1 21/n 114.0847; 15.7003; 25.3994
90; 91.481; 90		5614.8Suresh, Moorthy; Mandal, Amal Kumar; Suresh, E.; Das, Amitava
First demonstration of two-step FRET in a synthetic supramolecular assembly
Chemical Science, 2013, 4, 2380
1514666 CIFC28 H18C 1 2/c 123.095; 4.8656; 18.761
90; 122.671; 90		1774.6Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro
C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil
Chemical Science, 2013, 4, 2369
1514667 CIFC32 H14 F12P -18.283; 12.769; 13.17
80.39; 77.65; 71.77		1285Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro
C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil
Chemical Science, 2013, 4, 2369
1514668 CIFC32 H25 O4P -114.463; 15.645; 17.602
107.771; 98.2863; 105.005		3554Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro
C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil
Chemical Science, 2013, 4, 2369
1514669 CIFC36 H34 O8P 1 21/c 111.38; 8.787; 15.36
90; 111.613; 90		1428Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro
C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil
Chemical Science, 2013, 4, 2369
1514670 CIFC32 H20 F6 O2P 1 21/n 117.55; 7.302; 18.848
90; 94.759; 90		2407Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro
C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil
Chemical Science, 2013, 4, 2369
1514671 CIFC32 H24 O2P -110.094; 12.055; 19.805
81.395; 80.7; 89.36		2351Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro
C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil
Chemical Science, 2013, 4, 2369
1514672 CIFC22 H18 O4P 1 21/n 111.675; 5.0054; 14.303
90; 98.451; 90		826.8Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro
C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil
Chemical Science, 2013, 4, 2369
1514673 CIFC12 H15 F3 O3P -110.4133; 12.3601; 16.6001
111.7; 102.333; 93.499		1916.15Lu, Deng-Fu; Zhu, Cheng-Liang; Xu, Hao
Copper(i)-catalyzed diastereoselective hydroxytrifluoromethylation of dienes accelerated by phosphine ligands
Chemical Science, 2013, 4, 2478
1514674 CIFC20 H20 F N O SP 1 21/n 16.7008; 14.8959; 16.9986
90; 93.806; 90		1692.96Zhang, Gen; Ma, Yunxia; Wang, Shoulei; Kong, Weidong; Wang, Rui
Chiral organic contact ion pairs in metal-free catalytic enantioselective oxidative cross-dehydrogenative coupling of tertiary amines to ketones
Chemical Science, 2013, 4, 2645
1514675 CIFC20 H13 N3 SP -18.3008; 10.0109; 10.1613
76.211; 79.041; 87.821		805.07Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo
Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes
Chemical Science, 2013, 4, 1964
1514676 CIFC22 H23 Cl N3 RhP -4 21 c22.2937; 22.2937; 8.766
90; 90; 90		4356.78Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo
Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes
Chemical Science, 2013, 4, 1964
1514677 CIFC40 H54 I N3 O PdP 111.3782; 12.8716; 13.5328
103.493; 91.2746; 90.1766		1926.7Larionov, Evgeny; Nakanishi, Masafumi; Katayev, Dmitry; Besnard, Céline; Kündig, E. Peter
Scope and mechanism of asymmetric C(sp3)‒H/C(Ar)‒X coupling reactions: computational and experimental study
Chemical Science, 2013, 4, 1995
1514682 CIFC28 H27 Cl N2 O SP 21 21 2111.741; 12.62; 15.891
90; 90; 90		2354.6Robinson, Emily R. T.; Fallan, Charlene; Simal, Carmen; Slawin, Alexandra M. Z.; Smith, Andrew D.
Anhydrides as α,β-unsaturated acyl ammonium precursors: isothiourea-promoted catalytic asymmetric annulation processes
Chemical Science, 2013, 4, 2193
1514687 CIFC35 H48 Cl N3 O2P 1 21/c 110.3948; 12.9525; 25.0752
90; 92.424; 90		3373.1Despagnet-Ayoub, Emmanuelle; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Henling, Lawrence M.; Day, Michael W.; Labinger, Jay A.; Bercaw, John E.
Unexpected rearrangements in the synthesis of an unsymmetrical tridentate dianionic N-heterocyclic carbene
Chemical Science, 2013, 4, 2117
1514688 CIFC39 H53 B2 F8 N3 O3P -18.9329; 15.3817; 16.3064
79.606; 81.358; 75.254		2118.34Despagnet-Ayoub, Emmanuelle; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Henling, Lawrence M.; Day, Michael W.; Labinger, Jay A.; Bercaw, John E.
Unexpected rearrangements in the synthesis of an unsymmetrical tridentate dianionic N-heterocyclic carbene
Chemical Science, 2013, 4, 2117
1514689 CIFC79 H48 Cl5P -112.2674; 13.4426; 19.906
83.633; 76.942; 65.569		2910.8Xiao, Shengxiong; Kang, Seok Ju; Wu, Ying; Ahn, Seokhoon; Kim, Jong Bok; Loo, Yueh-Lin; Siegrist, Theo; Steigerwald, Michael L.; Li, Hexing; Nuckolls, Colin
Supersized contorted aromatics
Chemical Science, 2013, 4, 2018
1514690 CIFC16 H23 N O2P -18.796; 8.8679; 10.3885
75.311; 80.306; 71.263		738.95Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier
Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines
Chemical Science, 2013, 4, 2241
1514691 CIFC24 H28 F3 N O2P 1 21/c 19.7796; 10.0791; 21.9689
90; 96.101; 90		2153.2Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier
Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines
Chemical Science, 2013, 4, 2241
1514692 CIFC20 H29 N O2P -110.7367; 11.183; 16.106
76.241; 75.622; 77.643		1794.66Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier
Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines
Chemical Science, 2013, 4, 2241
1514693 CIFC21 H27 Br N O3.5P -18.953; 9.856; 14.208
89.921; 72.269; 70.983		1122.3Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René
Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts
Chemical Science, 2013, 4, 2218
1514694 CIFC19 H22 Br N O4C 1 2 128.468; 6.5087; 10.903
90; 101.161; 90		1982Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René
Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts
Chemical Science, 2013, 4, 2218
1514695 CIFC20 H27 N O4P n a 2116.349; 11.424; 20.499
90; 90; 90		3828.6Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René
Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts
Chemical Science, 2013, 4, 2218
1514696 CIFC21 H26 Cl N O4P 1 21/n 113.807; 9.648; 15.895
90; 95.425; 90		2107.9Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René
Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts
Chemical Science, 2013, 4, 2218
1514697 CIFC19 H22 Cl N O3P 1 21/n 112.2391; 13.5132; 12.6257
90; 118.77; 90		1830.4Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René
Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts
Chemical Science, 2013, 4, 2218
1514698 CIFC21 H26 Br N O3P 1 21/n 119.981; 10.4357; 20.133
90; 104.963; 90		4055.7Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René
Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts
Chemical Science, 2013, 4, 2218
1514699 CIFC19 H25 N O3P 1 21/c 19.0052; 19.3148; 11.0511
90; 110.477; 90		1800.7Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René
Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts
Chemical Science, 2013, 4, 2218
1514700 CIFC19 H25 N O3P 21 21 218.2536; 12.3017; 17.9593
90; 90; 90		1823.47Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René
Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts
Chemical Science, 2013, 4, 2218
1514701 CIFC16 H20 N2 O3.33P 1 21 19.4884; 7.3139; 12.2804
90; 105.801; 90		820.02Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René
Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts
Chemical Science, 2013, 4, 2218
1514702 CIFC19 H27 N O4P 1 21 110.7474; 7.1883; 12.3435
90; 112.278; 90		882.42Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René
Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts
Chemical Science, 2013, 4, 2218
1514703 CIFC42 H34 B F15 O2 ScC 1 2/c 129.7078; 13.6826; 21.4688
90; 114.327; 90		7951.8Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile
Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide
Chemical Science, 2013, 4, 2152
1514704 CIFC42 H36 B F15 ScP 1 21/n 113.9542; 16.0174; 17.9508
90; 97.5764; 90		3977.16Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile
Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide
Chemical Science, 2013, 4, 2152
1514705 CIFC19 H21 N O3P -16.229; 11.758; 12.009
88.61; 77.64; 83.8		854.1McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C.
Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors
Chemical Science, 2013, 4, 2028
1514706 CIFC15 H12 F N O3P 1 21/n 114.6982; 4.5311; 19.448
90; 97.309; 90		1284.7McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C.
Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors
Chemical Science, 2013, 4, 2028
1514707 CIFC17 H17 N O6 SP -15.707; 7.877; 18.99
98.61; 91.4; 91.03		844McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C.
Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors
Chemical Science, 2013, 4, 2028
1514708 CIFC15 H8 F5 N O3P 1 21 17.89; 5.6; 16.51
90; 102.65; 90		712McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C.
Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors
Chemical Science, 2013, 4, 2028
1514709 CIFC92 H96 Mo2 N4 O10 S2P -112.6203; 13.1151; 13.4075
81.395; 89.382; 84.039		2182.29Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Naseri, Vesal; Spilker, Thomas F.
MM quadruple bonds supported by cyanoacrylate ligands. Extending photon harvesting into the near infrared and studies of the MLCT states
Chemical Science, 2013, 4, 2105
1514710 CIFC88 H100 Mo2 N4 O11P -112.843; 16.816; 21.696
74.31; 76.48; 72.72		4247Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Naseri, Vesal; Spilker, Thomas F.
MM quadruple bonds supported by cyanoacrylate ligands. Extending photon harvesting into the near infrared and studies of the MLCT states
Chemical Science, 2013, 4, 2105
1514711 CIFC14 H12 N2P 1 21 112.1824; 7.56; 12.3739
90; 106.815; 90		1090.9Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong
Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes
Chemical Science, 2013, 4, 2163
1514712 CIFC15 H17 N5 O2P 1 21/c 110.8034; 6.9959; 19.4702
90; 102.269; 90		1437.94Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong
Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes
Chemical Science, 2013, 4, 2163
1514713 CIFC16 H11 N O SP n a 2123.0013; 5.0777; 11.154
90; 90; 90		1302.72Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong
Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes
Chemical Science, 2013, 4, 2163
1514714 CIFC10 H5 F N2 SP 1 21/n 16.7553; 9.2885; 14.5501
90; 95.168; 90		909.26Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong
Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes
Chemical Science, 2013, 4, 2163
1514715 CIFC16 H12 N O2 SP 16.0479; 8.1021; 14.5564
81.543; 83.748; 72.375		670.83Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong
Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes
Chemical Science, 2013, 4, 2163
1514716 CIFC13 H13 F3 N2 O4 SP -16.2339; 8.9683; 14.0067
81.624; 89.228; 75.671		750.42Samanta, Ramesh C.; De Sarkar, Suman; Fröhlich, Roland; Grimme, Stefan; Studer, Armido
N-Heterocyclic carbene (NHC) catalyzed chemoselective acylation of alcohols in the presence of amines with various acylating reagents
Chemical Science, 2013, 4, 2177
1514717 CIFC15 H17 F3 N2 O4 SP 1 21/c 19.6013; 7.0186; 25.4572
90; 92.806; 90		1713.44Samanta, Ramesh C.; De Sarkar, Suman; Fröhlich, Roland; Grimme, Stefan; Studer, Armido
N-Heterocyclic carbene (NHC) catalyzed chemoselective acylation of alcohols in the presence of amines with various acylating reagents
Chemical Science, 2013, 4, 2177
1514718 CIFC37 H49.95 Ga Mn N2 O2P 1 21/n 110.1814; 20.4882; 16.7346
90; 103.158; 90		3399.16Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon
Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}
Chemical Science, 2013, 4, 4245
1514719 CIFC34 H41 Ga Mo N2 O5P 43 21 29.083; 9.083; 41.8928
90; 90; 90		3456.19Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon
Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}
Chemical Science, 2013, 4, 4245
1514720 CIFC34 H41 Ga N2 O5 WP b n m9.15777; 35.5896; 21.105
90; 90; 90		6878.57Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon
Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}
Chemical Science, 2013, 4, 4245
1514721 CIFC36 H41 Co2 Ga N2 O7P -18.8239; 19.5134; 21.404
90.0148; 89.9906; 90.0029		3685.43Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon
Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}
Chemical Science, 2013, 4, 4245
1514722 CIFC33 H42 Ga Mn N2 O4P 1 21/m 18.86; 21.5544; 9.0818
90; 108.601; 90		1643.77Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon
Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}
Chemical Science, 2013, 4, 4245
1514723 CIFC33 H41 Cl Co Ga N2 O4C 1 2/c 121.4272; 16.8902; 21.5723
90; 108.729; 90		7393.79Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon
Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}
Chemical Science, 2013, 4, 4245
1514724 CIFC37 H48 Ga Mn N2 O2P -18.8327; 18.3781; 20.6752
90.0077; 90.0065; 85.7423		3346.91Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon
Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}
Chemical Science, 2013, 4, 4245
1514725 CIFC65 H53 B Co F24 Ga N2 O4P -112.5663; 13.2686; 20.7262
78.4857; 83.9447; 83.4912		3352.25Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon
Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}
Chemical Science, 2013, 4, 4245
1514726 CIFC16 H16 O4 SP -110.8453; 12.173; 12.2364
109.364; 106.53; 98.626		1406.8Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V.
The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus
Chemical Science, 2013, 4, 4267
1514727 CIFC16 H14 Cl2 O4P -13.9099; 13.413; 14.207
82.606; 86.888; 82.453		731.9Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V.
The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus
Chemical Science, 2013, 4, 4267
1514728 CIFC34 H30 Au O4 P S2P c a 2123.574; 11.1504; 23.342
90; 90; 90		6135.7Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V.
The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus
Chemical Science, 2013, 4, 4267
1514729 CIFC15.5 H15 Cl3 N2 Pt SP -19.6661; 13.0872; 15.6977
111.029; 90.575; 108.683		1738.24Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A.
Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands
Chemical Science, 2013, 4, 4193
1514730 CIFC35 H33 B Cl F4 N2 P Pt S2P -19.4153; 12.0408; 16.6958
102.425; 100.136; 104.304		1737.82Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A.
Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands
Chemical Science, 2013, 4, 4193
1514731 CIFC35 H33 B2 F8 N2 P Pt S2P 1 21/c 110.295; 9.8283; 34.0318
90; 94.67; 90		3431.99Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A.
Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands
Chemical Science, 2013, 4, 4193
1514732 CIFC30 H42 N2 SiP 1 21/a 115.1354; 9.24; 20.128
90; 101.781; 90		2755.63Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.
Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis
Chemical Science, 2013, 4, 4212
1514733 CIFC38 H58 Mg N2 O2 SiP -111.294; 12.168; 13.604
96.759; 90.61; 90.961		1856.13Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.
Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis
Chemical Science, 2013, 4, 4212
1514734 CIFC44 H68 Mg N2 O3.5 SiP 1 21/n 110.031; 30.017; 16.556
90; 104.903; 90		4817.34Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.
Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis
Chemical Science, 2013, 4, 4212
1514735 CIFC49 H72 Ca N2 O3 SiP 1 21/n 110.2642; 22.7621; 20.7835
90; 98.249; 90		4805.5Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.
Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis
Chemical Science, 2013, 4, 4212
1514736 CIFC46 H71 N2 O4 Si SrP 1 21 110.37; 18.852; 12.632
90; 113.607; 90		2262.83Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.
Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis
Chemical Science, 2013, 4, 4212
1514737 CIFC20 H18 F3 N3 O3C 1 2/c 127.371; 7.0453; 18.8951
90; 99.01; 90		3598.7Lee, Min Hee; Yoon, Byungkwon; Kim, Jong Seung; Sessler, Jonathan L.
Naphthalimide trifluoroacetyl acetonate: a hydrazine-selective chemodosimetric sensor
Chemical Science, 2013, 4, 4121
1514738 CIFC47 H77 N2 Na O3 ZnP 21 21 2111.948; 15.878; 24.9404
90; 90; 90		4731.5Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva
Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion
Chemical Science, 2013, 4, 4259
1514739 CIFC35 H54 N2 ZnP -19.7795; 10.1033; 20.1669
90.336; 103.989; 118.932		1674.4Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva
Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion
Chemical Science, 2013, 4, 4259
1514740 CIFC71 H127 N2 Na O7 Zn2P 1 21/c 112.5177; 33.2445; 18.2146
90; 100.694; 90		7448.3Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva
Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion
Chemical Science, 2013, 4, 4259
1514741 CIFC39 H63 Li N2 ZnP b c a21.8628; 22.1892; 31.9347
90; 90; 90		15492.1Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva
Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion
Chemical Science, 2013, 4, 4259
1514742 CIFC45 H50 Au2 Cl N2 PP -19.2833; 14.4759; 16.9188
68.109; 81.38; 86.27		2085.74Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva
Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion
Chemical Science, 2013, 4, 4259
1514743 CIFC18 H12 Br F3 O2P 1 21 111.822; 47.948; 12.119
90; 104.545; 90		6649Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.
Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study
Chemical Science, 2013, 4, 4146
1514744 CIFC22 H19 F3 O2P 1 21 16.039; 27.449; 11.299
90; 104.404; 90		1814Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.
Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study
Chemical Science, 2013, 4, 4146
1514745 CIFC19 H20 N2 SP 21 21 217.934; 10.719; 18.419
90; 90; 90		1566.4Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.
Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study
Chemical Science, 2013, 4, 4146
1514746 CIFC18 H17 F3 O2C 1 2 119.358; 9.419; 8.186
90; 90.979; 90		1492.4Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.
Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study
Chemical Science, 2013, 4, 4146
1514747 CIFC31 H32 Cl2 N2 O4P -18.3666; 10.8236; 17.2119
84.42; 79.713; 75.288		1481.1Ghorai, Suman; Sumrak, Joseph C.; Hutchins, Kristin M.; Bučar, Dejan-Krešimir; Tivanski, Alexei V.; MacGillivray, Leonard R.
From co-crystals to functional thin films: photolithography using [2+2] photodimerization
Chemical Science, 2013, 4, 4304
1514748 CIFC160 H178 Cd3 N14 O27 Ti4P 6 2 232.0273; 32.0273; 29.1427
90; 90; 120		25888.2Xuan, Weimin; Ye, Chengcheng; Zhang, Mengni; Chen, Zhijie; Cui, Yong
A chiral porous metallosalan-organic framework containing titanium-oxo clusters for enantioselective catalytic sulfoxidation
Chemical Science, 2013, 4, 3154
1514749 CIFC24 H16 B2 O3P 1 21/n 19.4797; 45.49; 21.7415
90; 92.764; 90		9364.7Dimitrijević, Elena; Taylor, Mark S.
9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols
Chemical Science, 2013, 4, 3298
1514750 CIFC26 H22 B2 N2 OP b c a10.6981; 14.3379; 26.3743
90; 90; 90		4045.5Dimitrijević, Elena; Taylor, Mark S.
9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols
Chemical Science, 2013, 4, 3298
1514752 CIFC47 H97 N O6 S Si9P -113.583; 15.995; 16.961
110.618; 111.892; 93.2		3125.1Brady, Patrick B.; Albert, Brian J.; Akakura, Matsujiro; Yamamoto, Hisashi
Controlling stereochemistry in polyketide synthesis: 1,3- vs. 1,2-asymmetric induction in methyl ketone aldol additions to β-super siloxy aldehydes
Chemical Science, 2013, 4, 3223
1514754 CIFC79.5 H115.5 Co3 N8.5 O34.5P n m a17.564; 25.629; 20.8
90; 90; 90		9363Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun
Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters
Chemical Science, 2013, 4, 3232
1514755 CIFC79.5 H109.5 Co3 N8.5 O31.5P n m a17.5608; 25.3474; 20.8804
90; 90; 90		9294.3Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun
Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters
Chemical Science, 2013, 4, 3232
1514756 CIFC78 H106 Co3 N8 O31P n m a17.446; 27.758; 18.762
90; 90; 90		9086Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun
Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters
Chemical Science, 2013, 4, 3232
1514757 CIFC122 H178 Co6 N14 O46I m -327.2496; 27.2496; 27.2496
90; 90; 90		20233.9Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun
Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters
Chemical Science, 2013, 4, 3232
1514759 CIFC18 H18 I2 O2P 21 21 217.7537; 8.7833; 28.0793
90; 90; 90		1912.29Gómez-Bengoa, Enrique; García, Jesús M.; Jiménez, Sandra; Lapuerta, Irati; Mielgo, Antonia; Odriozola, José M.; Otazo, Itziar; Razkin, Jesús; Urruzuno, Iñaki; Vera, Silvia; Oiarbide, Mikel; Palomo, Claudio
Asymmetric synthesis of propargylic alcohols via aldol reaction of aldehydes with ynals promoted by prolinol ether‒transition metal‒Brønsted acid cooperative catalysis
Chemical Science, 2013, 4, 3198
1514762 CIFC95 H74 B Cl6 O4 P2 RhP 1 21/c 119.3718; 20.1092; 21.506
90; 93.7932; 90		8359.34Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M.
Chiral recognition in contact ion-pairs; observation, characterization and analysis
Chemical Science, 2013, 4, 3140
1514763 CIFC98 H80 B Cl6 O5 P2 RhP 21 21 2115.7224; 20.2138; 25.7426
90; 90; 90		8181.2Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M.
Chiral recognition in contact ion-pairs; observation, characterization and analysis
Chemical Science, 2013, 4, 3140
1514764 CIFC96 H76 B Cl8 O4 P2 RhP 1 21 111.8286; 25.5279; 14.3047
90; 111.974; 90		4005.65Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M.
Chiral recognition in contact ion-pairs; observation, characterization and analysis
Chemical Science, 2013, 4, 3140
1514765 CIFC200 H256 Si8P 1 2/n 116.179; 17.461; 32.012
90; 95.835; 90		8997Matsuno, Taisuke; Kamata, Sho; Hitosugi, Shunpei; Isobe, Hiroyuki
Bottom-up synthesis and structures of π-lengthened tubular macrocycles
Chemical Science, 2013, 4, 3179
1514766 CIFC58 H78 Br6 Dy N9 O14 Zn2P b c a22.0395; 16.0165; 39.3819
90; 90; 90		13901.6Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang
Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh
Chemical Science, 2013, 4, 3310
1514767 CIFC54 H62 Br6 Dy N9 O10 Zn2P b c a20.5186; 16.4699; 37.585
90; 90; 90		12701.4Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang
Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh
Chemical Science, 2013, 4, 3310
1514768 CIFC58 H78 Br6 Dy N9 O14 Zn2P b c a21.893; 15.9613; 39.306
90; 90; 90		13735.1Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang
Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh
Chemical Science, 2013, 4, 3310
1514769 CIFC67 H101 Ag2 F3 N4 O6 SP -110.5882; 16.8592; 20.8
74.883; 79.955; 76.103		3454.7Tate, Brandon K.; Wyss, Chelsea M.; Bacsa, John; Kluge, Kelly; Gelbaum, Leslie; Sadighi, Joseph P.
A dinuclear silver hydride and an umpolung reaction of CO2
Chemical Science, 2013, 4, 3068
1514770 CIFC63 H93 Ag2 F3 N4 O5 SP 1 21/n 114.8245; 23.508; 19.9054
90; 110.118; 90		6513.7Tate, Brandon K.; Wyss, Chelsea M.; Bacsa, John; Kluge, Kelly; Gelbaum, Leslie; Sadighi, Joseph P.
A dinuclear silver hydride and an umpolung reaction of CO2
Chemical Science, 2013, 4, 3068
1514771 CIFC44 H38 F6 N4 O8 S2P -111.445; 12.104; 17.978
77.35; 76.4; 65.63		2184Wang, Kai; Huang, Shuo; Zhang, Yu; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue
Multicolor fluorescence and electroluminescence of an ICT-type organic solid tuned by modulating the accepting nature of the central core
Chemical Science, 2013, 4, 3288
1514772 CIFC40 H28 N4 S2P 1 21/c 19.6569; 10.14; 18.898
90; 118.42; 90		1627.5Wang, Kai; Huang, Shuo; Zhang, Yu; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue
Multicolor fluorescence and electroluminescence of an ICT-type organic solid tuned by modulating the accepting nature of the central core
Chemical Science, 2013, 4, 3288
1514773 CIFC24 H14P 1 21/c 111.6522; 5.4552; 11.4821
90; 90.607; 90		729.82Shan, Liang; Liang, Zhixiong; Xu, Xiaomin; Tang, Qin; Miao, Qian
Revisiting zethrene: synthesis, reactivity and semiconductor properties
Chemical Science, 2013, 4, 3294
1514774 CIFC216 H289 Cl2 Gd36 N51 O193P -121.545; 23.046; 23.372
94.535; 115.193; 115.679		8956Wu, Mingyan; Jiang, Feilong; Kong, Xiangjian; Yuan, Daqiang; Long, Lasheng; Al-Thabaiti, Shaeel A.; Hong, Maochun
Two polymeric 36-metal pure lanthanide nanosize clusters
Chemical Science, 2013, 4, 3104
1514775 CIFC216 H289 Cl2 Dy36 N51 O193P -121.545; 22.886; 23.17
94.32; 115.373; 115.639		8817Wu, Mingyan; Jiang, Feilong; Kong, Xiangjian; Yuan, Daqiang; Long, Lasheng; Al-Thabaiti, Shaeel A.; Hong, Maochun
Two polymeric 36-metal pure lanthanide nanosize clusters
Chemical Science, 2013, 4, 3104
1514780 CIFC28 H32 F9 La N9 O10 P S4P 1 21/n 111.106; 16.93; 22
90; 91.61; 90		4134.9Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank
Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes
Chemical Science, 2013, 4, 3717
1514781 CIFC54 H61 F18 N19 O19 P2 S8 Sm2P 1 21/c 19.764; 19.857; 22.899
90; 97.37; 90		4403.1Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank
Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes
Chemical Science, 2013, 4, 3717
1514782 CIFC30 H33 F9 N12 O9 P Pu S4P -113.2866; 13.3751; 13.849
83.93; 70.156; 80.123		2277.65Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank
Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes
Chemical Science, 2013, 4, 3717
1514783 CIFC17 H20 N4 NiP 1 21/c 114.9461; 7.3243; 15.6793
90; 112.463; 90		1586.18Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.
Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)
Chemical Science, 2013, 4, 3636
1514784 CIFC36 H40 F6 N8 Ni2 O6 S2P -110.076; 10.6657; 19.6623
90.05; 97.94; 105.384		2016.3Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.
Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)
Chemical Science, 2013, 4, 3636
1514785 CIFC25 H36 K N4 Ni O2P 1 21/n 110.5982; 12.3634; 19.8165
90; 95.155; 90		2586Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.
Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)
Chemical Science, 2013, 4, 3636
1514786 CIFC23 H29 F12 N7 Ni P2C 1 c 19.223; 23.7522; 15.2139
90; 107.35; 90		3181.2Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.
Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)
Chemical Science, 2013, 4, 3636
1514787 CIFC35 H56 K N6 Ni O6P 1 21/c 112.7277; 21; 28.837
90; 99.126; 90		7610Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.
Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)
Chemical Science, 2013, 4, 3636
1514788 CIFC70 H106 K2 N12 Ni O12C 1 2/c 134.46; 10.852; 23.144
90; 100.903; 90		8499Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.
Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)
Chemical Science, 2013, 4, 3636
1514789 CIFC31 H22 N2P b c a9.7242; 17.6641; 25.6425
90; 90; 90		4404.59Yang, Zhiyong; Qin, Wei; Lam, Jacky W. Y.; Chen, Sijie; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong
Fluorescent pH sensor constructed from a heteroatom-containing luminogen with tunable AIE and ICT characteristics
Chemical Science, 2013, 4, 3725
1514790 CIFC17 H15 N OP 1 21/c 19.1485; 13.8946; 10.4647
90; 102.948; 90		1296.4Cui, Sunliang; Zhang, Yan; Wu, Qifan
Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation
Chemical Science, 2013, 4, 3421
1514791 CIFC19.5 H18.5 Cl2.5 N OP 1 21/c 123.247; 9.9836; 16.0069
90; 90.649; 90		3714.8Cui, Sunliang; Zhang, Yan; Wu, Qifan
Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation
Chemical Science, 2013, 4, 3421
1514792 CIFC16 H14 Cl3 N O2P b c a9.7761; 14.7382; 24.0669
90; 90; 90		3467.6Cui, Sunliang; Zhang, Yan; Wu, Qifan
Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation
Chemical Science, 2013, 4, 3421
1514793 CIFC17 H15 N O2P 21 21 216.4122; 12.077; 16.676
90; 90; 90		1291.4Ozaki, Kyohei; Zhang, Hua; Ito, Hideto; Lei, Aiwen; Itami, Kenichiro
One-shot indole-to-carbazole π-extension by a Pd‒Cu‒Ag trimetallic system
Chemical Science, 2013, 4, 3416
1514794 CIFC24.5 H28.5 Cl1.5 N4 O6 RuP 1 21/c 18.906; 17.7086; 17.021
90; 91.073; 90		2684Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W.
Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study
Chemical Science, 2013, 4, 3731
1514795 CIFC34 H31 Cl3 N4 O6 RuC 1 2/c 123.297; 12.4626; 25.803
90; 115.977; 90		6734.8Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W.
Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study
Chemical Science, 2013, 4, 3731
1514796 CIFC66 H58 Cl4 Co2 N8 O21P -19.1898; 11.3905; 16.2931
78.018; 82.142; 76.846		1617.39Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W.
Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study
Chemical Science, 2013, 4, 3731
1514797 CIFC14 H17 Br N2 O4 SP 21 21 217.6678; 13.5683; 14.958
90; 90; 90		1556.2Miles, Dillon H.; Veguillas, Marcos; Toste, F. Dean
Gold(i)-catalyzed enantioselective bromocyclization reactions of allenes
Chemical Science, 2013, 4, 3427
1514798 CIFC21 H18 Cu N5 O4P 1 21/c 19.876; 9.295; 22.594
90; 106.8; 90		1985.5Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He
A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions
Chemical Science, 2013, 4, 3678
1514799 CIFC20 H16 Cu N5 O4P 1 21/c 19.399; 9.848; 21.834
90; 102.09; 90		1976.2Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He
A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions
Chemical Science, 2013, 4, 3678
1514800 CIFC21 H18 Cu N5 O4P 1 21/c 19.93; 9.3445; 22.717
90; 106.94; 90		2016.5Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He
A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions
Chemical Science, 2013, 4, 3678
1514801 CIFC24 H28 Cl3 N O6 Pd SP 1 21 19.3736; 15.178; 10.1053
90; 107.302; 90		1372.7Yamaguchi, Kazuya; Kondo, Hiroki; Yamaguchi, Junichiro; Itami, Kenichiro
Aromatic C‒H coupling with hindered arylboronic acids by Pd/Fe dual catalysts
Chemical Science, 2013, 4, 3753
1514802 CIFC45 H51 N3 P3 VP -110.0198; 11.1462; 19.6789
85.018; 79.607; 74.258		2078.99Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
Vanadium‒iron complexes featuring metal‒metal multiple bonds
Chemical Science, 2013, 4, 3557
1514803 CIFC48 H57 Fe I N3 O0.75 P3 VP -110.7003; 22.3479; 22.519
62.001; 81.313; 88.637		4693.3Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
Vanadium‒iron complexes featuring metal‒metal multiple bonds
Chemical Science, 2013, 4, 3557
1514804 CIFC48 H60 Fe N3 P4 VP -3 c 116.3841; 16.3841; 22.8729
90; 90; 120		5317.4Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
Vanadium‒iron complexes featuring metal‒metal multiple bonds
Chemical Science, 2013, 4, 3557
1514805 CIFC60 H69 Fe N4 P4 VP 1 21/c 113.0944; 14.5742; 28.469
90; 95.9356; 90		5403.9Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
Vanadium‒iron complexes featuring metal‒metal multiple bonds
Chemical Science, 2013, 4, 3557
1514806 CIFC48 H57 F Fe I N3 O0.75 P3 VP -110.7611; 22.0867; 22.4678
63.268; 80.585; 85.642		4705.1Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
Vanadium‒iron complexes featuring metal‒metal multiple bonds
Chemical Science, 2013, 4, 3557
1514807 CIFC10 H20 Cl2 N4 NiP 1 21/n 18.0672; 13.6398; 12.88
90; 100.756; 90		1392.4Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform
Chemical Science, 2013, 4, 77
1514808 CIFC6 H13 Cl2 N2 PP b c a7.768; 12.985; 19.423
90; 90; 90		1959.1Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform
Chemical Science, 2013, 4, 77
1514809 CIFC11 H15 Cl2 N2 PC 1 2/c 119.24; 11.531; 15.038
90; 128.66; 90		2605.2Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform
Chemical Science, 2013, 4, 77
1514810 CIFC5 H10 Cl3 N2 PP 1 21/c 111.4381; 7.717; 12.979
90; 122.697; 90		964.09Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform
Chemical Science, 2013, 4, 77
1514811 CIFC10 H20 Cl2 N4 PdP 1 21/n 18.9858; 12.0174; 13.4315
90; 104.706; 90		1402.9Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform
Chemical Science, 2013, 4, 77
1514812 CIFC5 H11 F4 N2 PP -17.375; 7.56; 8.6846
74.688; 76.04; 62.6		410.6Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform
Chemical Science, 2013, 4, 77
1514813 CIFC5 H10 Cl4 N2 SiP b c a12.8424; 12.65; 13.2356
90; 90; 90		2150.21Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform
Chemical Science, 2013, 4, 77
1514814 CIFC26 H18 FeP -17.1257; 9.7812; 14.6087
74.587; 81.231; 70.49		922.94Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.
On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies
Chemical Science, 2013, 4, 437
1514815 CIFC25 H21 Fe N3P 1 21 111.3194; 5.7682; 14.8959
90; 94.364; 90		969.77Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.
On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies
Chemical Science, 2013, 4, 437
1514816 CIFC24 H18 FeP 1 21/c 121.166; 9.936; 8.1878
90; 92.968; 90		1719.6Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.
On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies
Chemical Science, 2013, 4, 437
1514817 CIFC18 H12 O2C 1 c 120.7703; 20.6316; 23.952
90; 102.233; 90		10031Cheng, Ming; Yan, Jianwei; Hu, Feng; Chen, Hong; Hu, Youhong
Palladium-catalyzed cascade reactions of 3-iodochromones with aryl iodides and norbornadiene leading to annulated xanthones
Chemical Science, 2013, 4, 526
1514818 CIFC10 H17 Cl N4 Ni O6P 1 21/n 17.3309; 16.9368; 12.1796
90; 95.441; 90		1505.43Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157
1514819 CIFC22 H40 Cl2 N8.5 Ni O10 ZnP 1 21/n 111.5005; 20.8961; 14.2514
90; 109.637; 90		3225.65Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157
1514820 CIFC22 H42 Cl2 N8 Ni O10 ZnP 1 21/n 111.5533; 22.0368; 12.9726
90; 104.81; 90		3193.1Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157
1514821 CIFC21 H40 Cl N7 Ni O8 ZnC 1 2/c 118.853; 18.337; 16.409
90; 90.05; 90		5673Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157
1514822 CIFC19 H37 Cl N8 Ni O8 ZnP 18.5274; 12.4106; 13.0776
98.754; 96.004; 90.074		1360.17Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157
1514823 CIFC110 H150 B2 Cl2 N18 Ni2 O16 Zn2P -111.7327; 15.5512; 17.9328
67.784; 71.146; 77.96		2852.6Uyeda, Christopher; Peters, Jonas C.
Access to formally Ni(i) states in a heterobimetallic NiZn system
Chemical Science, 2013, 4, 157

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