Crystallography Open Database

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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
1514751 CIFC39 H41 F12 N7 O0 P2P 1 21/n 112.9199; 15.8918; 20.2181
90; 95.307; 90
4133.4Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan
Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.
Metallomics : integrated biometal science, 2014, 6, 1460-1468
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
1514753 CIFC30 H34 Ag F6 N5 PI b a m17.9559; 18.8882; 17.9394
90; 90; 90
6084.2Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan
Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.
Metallomics : integrated biometal science, 2014, 6, 1460-1468
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
1514758 CIFC30 H35 Au F6 N5 O0 PI b a m18.7883; 17.8671; 18.1775
90; 90; 90
6102Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan
Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.
Metallomics : integrated biometal science, 2014, 6, 1460-1468
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
1514760 CIFC28 H34 F12 N4 P2P 1 21/c 18.66; 19.8775; 11.7276
90; 130.999; 90
1523.62Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan
Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.
Metallomics : integrated biometal science, 2014, 6, 1460-1468
1514761 CIFC13 H14 O3P b c a10.2738; 11.207; 19.0373
90; 90; 90
2191.93Farmer, Rebecca L.; Scheidt, Karl A.
A Concise Enantioselective Synthesis and Cytotoxic Evaluation of the Anticancer Rotenoid Deguelin Enabled by a Tandem Knoevenagel/Conjugate Addition/Decarboxylation Sequence.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3304-3309
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
1514776 CIFC38 H42 Cl2 N4 O7 S SiP 21 21 219.7839; 16.5231; 24.2524
90; 90; 90
3920.7Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad
Concise Total Synthesis of (+)-Bionectins A and C.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3191-3197
1514777 CIFC32.33 H36.66 Cl0.66 N4 O10 S SiP 113.7346; 16.0038; 17.3585
100.01; 92.214; 108.59
3543.2Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad
Concise Total Synthesis of (+)-Bionectins A and C.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3191-3197
1514778 CIFC45 H50 N4 O14 SP 1 21 112.8803; 10.3954; 16.5478
90; 90.063; 90
2215.7Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad
Concise Total Synthesis of (+)-Bionectins A and C.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3191-3197
1514779 CIFC29 H21 N5 O6 S2P 1 21 111.6928; 11.2669; 20.6483
90; 96.676; 90
2701.8Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad
Concise Total Synthesis of (+)-Bionectins A and C.
Chemical science (Royal Society of Chemistry : 2010), 2013, 4, 3191-3197
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

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