Crystallography Open Database

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1513858 CIFC20 H20 Ag Au N6P 1 21/c 19.3279; 17.2846; 6.7132
90; 105.46; 90
1043.2Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming
Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]−
Chemical Science, 2014, 5, 1348
1513859 CIFC9 H10 Au0.5 Cl0.5 N2 OP -14.1212; 10.9295; 14.0406
67.288; 81.57; 89.986
575.98Chen, Yong; Cheng, Gang; Li, Kai; Shelar, Deepak P.; Lu, Wei; Che, Chi-Ming
Phosphorescent polymeric nanomaterials with metallophilic d10⋯d10 interactions self-assembled from [Au(NHC)2]+ and [M(CN)2]−
Chemical Science, 2014, 5, 1348
1513860 CIFC18 H23 O2 PP 1 21 18.802; 10.1477; 10.3699
90; 114.98; 90
839.6Kortmann, Felix A.; Chang, Mu-Chieh; Otten, Edwin; Couzijn, Erik P. A.; Lutz, Martin; Minnaard, Adriaan J.
Consecutive dynamic resolutions of phosphine oxides
Chemical Science, 2014, 5, 1322
1513861 CIFC17 H21 O2 PC 1 2 121.4308; 6.089; 13.0171
90; 116.36; 90
1522.01Kortmann, Felix A.; Chang, Mu-Chieh; Otten, Edwin; Couzijn, Erik P. A.; Lutz, Martin; Minnaard, Adriaan J.
Consecutive dynamic resolutions of phosphine oxides
Chemical Science, 2014, 5, 1322
1513862 CIFC14 H11 N OP 1 21/c 125.1525; 11.425; 7.5575
90; 94.475; 90
2165.16Duan, Pingping; Yang, Yunfang; Ben, Rong; Yan, Yiyong; Dai, Lu; Hong, Mei; Wu, Yun-Dong; Wang, Dongqi; Zhang, Xinhao; Zhao, Jing
Palladium-catalyzed benzo[d]isoxazole synthesis by C–H activation/[4 + 1] annulation
Chemical Science, 2014, 5, 1574
1513863 CIFC33 H24.67 O13 Zn2.67P 2 323.9647; 23.9647; 23.9647
90; 90; 90
13763.1Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian
Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption
Chemical Science, 2014, 5, 1368
1513864 CIFC49.5 H36 N0 O19 Zn4R -3 c :H26.669; 26.669; 86.622
90; 90; 120
53355Shen, Ping; He, Wen-Wen; Du, Dong-Ying; Jiang, Hai-Long; Li, Shun-Li; Lang, Zhong-Ling; Su, Zhong-Min; Fu, Qiang; Lan, Ya-Qian
Solid-state structural transformation doubly triggered by reaction temperature and time in 3D metal-organic frameworks: great enhancement of stability and gas adsorption
Chemical Science, 2014, 5, 1368
1513865 CIFC45 H51 Cr N3 P3P 21 21 2113.0611; 16.5349; 22.6345
90; 90; 90
4888.2Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.
A series of C3-symmetric heterobimetallic Cr–M (M = Fe, Co and Cu) complexes
Chemical Science, 2014, 5, 1617
1513866 CIFC45 H51 Cr Fe I N3 P3P a -320.6666; 20.6666; 20.6666
90; 90; 90
8826.9Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.
A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes
Chemical Science, 2014, 5, 1617
1513867 CIFC45 H51 Co Cr I N3 P3P a -320.6768; 20.6768; 20.6768
90; 90; 90
8839.95Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.
A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes
Chemical Science, 2014, 5, 1617
1513868 CIFC48 H60 Cr Fe N3 P4P -3 c 116.2739; 16.2739; 23.1328
90; 90; 120
5305.69Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.
A series of C3-symmetric heterobimetallic Cr–M (M = Fe, Co and Cu) complexes
Chemical Science, 2014, 5, 1617
1513869 CIFC48 H60 Co Cr N3 P4P -3 c 116.2999; 16.2999; 22.8438
90; 90; 120
5256.2Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.
A series of C3-symmetric heterobimetallic Cr–M (M = Fe, Co and Cu) complexes
Chemical Science, 2014, 5, 1617
1513870 CIFC48 H57 Cr Cu I N3 O0.75 P3P -110.7036; 22.2854; 22.5333
61.763; 81.327; 87.515
4678.8Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.
A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes
Chemical Science, 2014, 5, 1617
1513871 CIFC17 H18 O2 SP 21 21 215.673; 8.3677; 31.795
90; 90; 90
1509.3Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin
Highly enantioselective S–H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids
Chemical Science, 2014, 5, 1442
1513872 CIFC17 H17 O5 PP 21 21 216.6316; 9.2654; 26.038
90; 90; 90
1599.9Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin
Highly enantioselective S–H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids
Chemical Science, 2014, 5, 1442
1513873 CIFC29 H25 O5 PC 1 2 125.33; 6.664; 16.09
90; 121.291; 90
2320.9Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin
Highly enantioselective S–H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids
Chemical Science, 2014, 5, 1442
1513874 CIFC56 H83 O7 PP 1 21 111.779; 17.451; 13.849
90; 110.544; 90
2665.7Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin
Highly enantioselective S–H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids
Chemical Science, 2014, 5, 1442
1513875 CIFC70 H66 Cl2 O19 P4 Rh2P 21 21 2116.527; 18.866; 26.157
90; 90; 90
8156Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin
Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids
Chemical Science, 2014, 5, 1442
1513876 CIFC27 H27 Er N4 O3P -3 c 112.9479; 12.9479; 16.3112
90; 90; 120
2368.18Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan
Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation
Chemical Science, 2014, 5, 1650
1513877 CIFC30 H30 Er I3 N4 O3P -313.0245; 13.0245; 11.15
90; 90; 120
1638Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan
Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation
Chemical Science, 2014, 5, 1650
1513878 CIFC27 H24 Cl3 Er N4 O3P 1 21/n 112.5689; 15.0967; 14.9942
90; 109.98; 90
2673.89Pedersen, Kasper S.; Ungur, Liviu; Sigrist, Marc; Sundt, Alexander; Schau-Magnussen, Magnus; Vieru, Veacheslav; Mutka, Hannu; Rols, Stephane; Weihe, Høgni; Waldmann, Oliver; Chibotaru, Liviu F.; Bendix, Jesper; Dreiser, Jan
Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation
Chemical Science, 2014, 5, 1650
1513879 CIFC30 H29 N4 O2P -19.489; 10.75; 13.644
90.055; 94.092; 111.778
1288.6Jia, Wenbin; Yang, Peng; Li, Junjie; Yin, Zhengmao; Kong, Lin; Lu, Hongbo; Ge, Zhishen; Wu, Yongzhong; Hao, Xiaopeng; Yang, Jiaxiang
Synthesis and characterization of a novel cyanostilbene derivative and its initiated polymers: aggregation-induced emission enhancement behaviors and light-emitting diode applications
Polymer Chemistry, 2014, 5, 2282
1514137 CIFC27 H35 Cl3 Fe N2 OP b c a15.98; 14.393; 24.368
90; 90; 90
5604.6Hennessy, Elisabeth T.; Liu, Richard Y.; Iovan, Diana A.; Duncan, Ryan A.; Betley, Theodore A.
Iron-mediated intermolecular N-group transfer chemistry with olefinic substrates
Chemical Science, 2014, 5, 1526
1514138 CIFC18 H17 Cl O4P 1 21 16.6348; 11.6431; 10.7797
90; 99.155; 90
822.12Manna, Madhu Sudan; Mukherjee, Santanu
Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione
Chemical Science, 2014, 5, 1627
1514139 CIFC17 H18 O2P 21 21 216.569; 13.286; 17.05
90; 90; 90
1488Manna, Madhu Sudan; Mukherjee, Santanu
Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione
Chemical Science, 2014, 5, 1627
1514140 CIFC18 H15 Cl O4P 21 21 216.465; 16.927; 29.143
90; 90; 90
3189Manna, Madhu Sudan; Mukherjee, Santanu
Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione
Chemical Science, 2014, 5, 1627
1514274 CIFC17 H40 Mo N2 O6P 1 21/n 114.997; 8.3386; 17.151
90; 99.979; 90
2112.4Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C.
Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation
Chemical Science, 2014, 5, 1772
1514275 CIFC82 H72 Mo N6 O8 P4P 1 21 110.7577; 13.0244; 25.943
90; 90.884; 90
3634.5Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C.
Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation
Chemical Science, 2014, 5, 1772
1514276 CIFC80 H80 Cl6 Mo N2 O7 P4P 1 21/c 121.931; 12.235; 26.654
90; 92.141; 90
7147Knopf, Ioana; Ono, Takashi; Temprado, Manuel; Tofan, Daniel; Cummins, Christopher C.
Uptake of one and two molecules of CO2 by the molybdate dianion: a soluble, molecular oxide model system for carbon dioxide fixation
Chemical Science, 2014, 5, 1772
1514277 CIFC19 H16 O4P 1 21/n 19.5528; 10.1091; 16.166
90; 104.844; 90
1509.05Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O.
Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes
Chemical Science, 2014, 5, 1777
1514278 CIFC19 H18 O5P 1 21/c 110.7552; 10.1502; 14.9906
90; 93.447; 90
1633.52Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O.
Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes
Chemical Science, 2014, 5, 1777
1514279 CIFC19 H18 O5P 21 21 215.6981; 8.6185; 32.841
90; 90; 90
1612.8Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O.
Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes
Chemical Science, 2014, 5, 1777
1514280 CIFC19 H16 O4P 1 21/c 113.4714; 5.8443; 19.1637
90; 103.276; 90
1468.45Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O.
Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes
Chemical Science, 2014, 5, 1777
1514281 CIFC27 H44 Cl2 N O4 P2 ReP 1 21/c 113.2321; 15.7048; 16.7382
90; 114.833; 90
3156.7Vogt, Matthias; Nerush, Alexander; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David
Reversible CO2 binding triggered by metal‒ligand cooperation in a rhenium(i) PNP pincer-type complex and the reaction with dihydrogen
Chemical Science, 2014, 5, 2043
1514282 CIFC37 H27 N O3 PtP -17.554; 17.939; 21.6527
66.669; 87.131; 86.992
2689.18Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne
Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1915-1927
1514283 CIFC32 H21 N OP 1 21/a 18.5103; 30.003; 9.119
90; 112.41; 90
2152.6Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne
Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1915-1927
1514284 CIFC41 H31 Cl4 N O2 Pt SP 21 21 2113.2528; 14.7365; 18.3823
90; 90; 90
3590.06Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne
Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1915-1927
1514285 CIFC40 H30 Cl N O2 Pt SP 1 21 17.7976; 13.3596; 15.247
90; 93.639; 90
1585.12Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne
Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1915-1927
1514286 CIFC20 H14 N2P 1 21 17.5661; 12.3042; 7.9592
90; 105.511; 90
713.97Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne
Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1915-1927
1514287 CIFC37 H33 Cl5 N2 O2 Pt2 S2P 21 21 2117.2805; 17.2812; 12.5128
90; 90; 90
3736.67Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne
Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1915-1927
1514288 CIFC30 H26 N2 O4 Pt2C 1 2/c 111.8533; 9.9205; 22.5187
90; 103.333; 90
2576.62Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne
Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.
Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1915-1927
1514289 CIFC49 H78 F15 N8 O26 Re S5P 1 21/c 112.949; 17.658; 32.897
90; 90.081; 90
7522Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Alberto, Roger; Braband, Henrik
Fluorescent sensing of 99Tc pertechnetate in water
Chemical Science, 2014, 5, 1820
1514290 CIFC49 H78 F15 N8 O26 S5 TcP 1 21/c 113.0099; 17.557; 32.9333
90; 89.226; 90
7521.8Amendola, Valeria; Bergamaschi, Greta; Boiocchi, Massimo; Alberto, Roger; Braband, Henrik
Fluorescent sensing of 99Tc pertechnetate in water
Chemical Science, 2014, 5, 1820
1514291 CIFC11 H10 F2 O2P -14.865; 7.057; 15.151
88.73; 84.04; 82.71
513.15Lu, Wei; Gao, Juan; Yang, Jing-Kui; Liu, Lei; Zhao, Yuliang; Wu, Hai-Chen
Regioselective alkyl transfer from phosphonium ylides to functionalized polyfluoroarenes
Chemical Science, 2014, 5, 1934
1514292 CIFC20 H19 Cl N2 O4P 1 21 111.1925; 8.1206; 21.465
90; 101.402; 90
1912.4Xu, Biao; Shi, Li-Li; Zhang, Yu-Zu; Wu, Zhi-Jun; Fu, Li-Na; Luo, Chun-Qin; Zhang, Lan-Xi; Peng, Yun-Gui; Guo, Qi-Xiang
Catalytic asymmetric direct α-alkylation of amino esters by aldehydes via imine activation
Chemical Science, 2014, 5, 1988
1514293 CIFC66 H62 Al Co N2 O8P 21 21 2111.5495; 21.268; 28.17
90; 90; 90
6919.5Mulzer, Michael; Ellis, W. Chadwick; Lobkovsky, Emil B.; Coates, Geoffrey W.
Enantioenriched β-lactone and aldol-type products from regiodivergent carbonylation of racemic cis-epoxides
Chemical Science, 2014, 5, 1928
1514294 CIFC19 H22 F3 N O2 SP 1 21 15.7359; 17.005; 9.7453
90; 102.621; 90
927.58Buesking, Andrew W.; Ellman, Jonathan A.
Convergent, asymmetric synthesis of vicinal amino alcohols via Rh-catalyzed addition of α-amido trifluoroborates to carbonyls
Chemical Science, 2014, 5, 1983
1514295 CIFC37 H30 F3 N3 O3 Pt SP b c a14.0939; 19.1285; 26.663
90; 90; 90
7188.2Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo
Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters
Chemical Science, 2014, 5, 1875
1514296 CIFC35 H20 Cl2 F9 N3 O3 Pt SP -110.3618; 12.3271; 14.6981
81.352; 88.049; 80.752
1831.8Juliá, Fabio; Bautista, Delia; Fernández-Hernández, Jesús M.; González-Herrero, Pablo
Homoleptic tris-cyclometalated platinum(iv) complexes: a new class of long-lived, highly efficient 3LC emitters
Chemical Science, 2014, 5, 1875
1514297 CIFC25 H21 Br N2 O3P 1 21 19.7989; 9.7523; 22.829
90; 90.326; 90
2181.5Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko
Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel–Crafts reaction of indoles with β,β-disubstituted nitroalkenes
Chemical Science, 2014, 5, 1799

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