Crystallography Open Database

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1540453 CIFC17 H14 B N3 O2P c a 2119.788; 6.095; 12.5928
90; 90; 90
1518.8Luisier, N.; Scopelliti, R.; Severin, K.
Supramolecular gels based on boronate esters and imidazolyl donors.
Soft matter, 2016, 12, 588-593
1540454 CIFC20 H14 S2P -18.9174; 9.1478; 11.846
92.804; 110.458; 116.89
782.3Nell, Kara M.; Fontenot, Sean A.; Carter, Timothy G.; Warner, Marvin G.; Warner, Cynthia L.; Addleman, R. Shane; Johnson, Darren W.
Non-covalent functionalization of high-surface area nanomaterials: a new class of sorbent materials
Environ. Sci.: Nano, 2016, 3, 138
1540455 CIFC94 H100 Au2 Cl6 Fe4 N8C 1 2/c 127.57803; 11.91923; 27.111
90; 95.085; 90
8876.6Arambula, J. F.; McCall, R.; Sidoran, K. J.; Magda, D.; Mitchell, N. A.; Bielawski, C. W.; Lynch, V. M.; Sessler, J. L.; Arumugam, K.
Targeting Antioxidant Pathways with Ferrocenylated N-Heterocyclic Carbene Supported Gold(I) Complexes in A549 Lung Cancer Cells.
Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1245-1256
1540456 CIFC50 H48 Au Fe4 I N4P -112.3866; 12.62423; 15.23356
90.566; 98.3173; 114.321
2141.5Arambula, J. F.; McCall, R.; Sidoran, K. J.; Magda, D.; Mitchell, N. A.; Bielawski, C. W.; Lynch, V. M.; Sessler, J. L.; Arumugam, K.
Targeting Antioxidant Pathways with Ferrocenylated N-Heterocyclic Carbene Supported Gold(I) Complexes in A549 Lung Cancer Cells.
Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1245-1256
1540457 CIFC31 H56 Cl2 N10P 1 21/m 15.8762; 23.96; 12.4969
90; 91.956; 90
1758.5Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L.
s-Heptazine oligomers: promising structural models for graphitic carbon nitride
Chem. Sci., 2016, 7, 945
1540458 CIFC60 H91 N21 O4P 1 21/c 121.414; 11.9388; 25.308
90; 96.333; 90
6430.7Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L.
s-Heptazine oligomers: promising structural models for graphitic carbon nitride
Chem. Sci., 2016, 7, 945
1540459 CIFC23 H41 Cl Ni O3 P2P 1 21/c 114.485; 7.985; 23.646
90; 106.418; 90
2623.4Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.
Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes
Chem. Sci., 2016, 7, 117
1540460 CIFC23 H41 Cl Ni O2 P2P 1 21/n 19.8433; 19.618; 13.982
90; 105.052; 90
2607.4Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.
Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes
Chem. Sci., 2016, 7, 117
1540461 CIFC23 H42 Ni O3 P2P 1 21/n 19.756; 19.408; 14.026
90; 104.528; 90
2570.8Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.
Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes
Chem. Sci., 2016, 7, 117
1540462 CIFC23 H42 Ni O2 P2P 1 21/n 19.528; 20.201; 13.434
90; 100.908; 90
2539Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.
Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes
Chem. Sci., 2016, 7, 117
1540463 CIFC30 H56 Ni O2 P2P 1 21/n 115.131; 12.589; 17.529
90; 106.717; 90
3197.9Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.
Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes
Chem. Sci., 2016, 7, 117
1540464 CIFC25 H44 B F4 N Ni O2 P2P 1 21/m 17.6473; 12.5571; 15.1719
90; 92.552; 90
1455.5Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.
Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes
Chem. Sci., 2016, 7, 117
1540467 CIFC17 H11 N3 O6P 1 21/c 19.9877; 15.1541; 10.2131
90; 103.161; 90
1505.2Meazza, Marta; Light, Mark E.; Mazzanti, Andrea; Rios, Ramon
Synergistic catalysis: cis-cyclopropanation of benzoxazoles
Chem. Sci., 2016, 7, 984
1540485 CIFC29 H39 Cl O3 P2 PdP 21 21 2110.278; 15.524; 18.474
90; 90; 90
2947.6Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko
Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts
Chem. Sci., 2016, 7, 737
1540486 CIFC25 H45 F6 O3 P3 PdP -18.338; 13.576; 14.319
81.992; 83.829; 75.466
1549.2Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko
Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts
Chem. Sci., 2016, 7, 737
1540487 CIFC31 H51 Cl2 F6 N O3 P3 PdC 1 c 18.2128; 22.725; 20.504
90; 100.299; 90
3765.1Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko
Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts
Chem. Sci., 2016, 7, 737
1540488 CIFC35 H47 Cl5 F6 O5 P3 PdP 1 21/c 111.521; 16.475; 22.564
90; 99.836; 90
4219.9Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko
Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts
Chem. Sci., 2016, 7, 737
1540489 CIFC38 H44 F12 N O3 P3 PdP b c a14.361; 22.678; 25.532
90; 90; 90
8315Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko
Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts
Chem. Sci., 2016, 7, 737
1540492 CIFC10 H26 Fe2 N2 O18P 1 21/n 18.2586; 15.8638; 9.4209
90; 113.19; 90
1134.5Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi
A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework
Chem. Sci., 2016, 7, 1349
1540493 CIFC10 H26 Mg2 N2 O18P 1 21/n 18.292; 15.688; 9.38
90; 114.8; 90
1107.7Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi
A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework
Chem. Sci., 2016, 7, 1349
1540494 CIFC35 H30P 1 21/n 17.3879; 15.852; 41.261
90; 90.675; 90
4831.9Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki
Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures
Chem. Sci., 2016, 7, 896
1540495 CIFC44 H39 NR -3 :H18.861; 18.861; 7.446
90; 90; 120
2294Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki
Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures
Chem. Sci., 2016, 7, 896
1540496 CIFC49 H42C 1 2/c 129.026; 7.501; 33.242
90; 104.96; 90
6992Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki
Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures
Chem. Sci., 2016, 7, 896
1540497 CIFC62.9 H62.9 Cl2.71P b c a14.3269; 17.0916; 42.481
90; 90; 90
10402.3Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki
Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures
Chem. Sci., 2016, 7, 896
1540498 CIFC63 H54P 1 21/n 122.263; 7.4477; 28.978
90; 109.502; 90
4529.1Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki
Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures
Chem. Sci., 2016, 7, 896
1540499 CIFC39 H30P b c a16.2912; 15.2859; 43.96
90; 90; 90
10947.2Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki
Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures
Chem. Sci., 2016, 7, 896
1540500 CIFC15 H14 N2 O3 SP 21 21 216.182; 8.842; 26.31
90; 90; 90
1438Kondoh, Azusa; Ota, Yusuke; Komuro, Takazumi; Egawa, Fuyuki; Kanomata, Kyohei; Terada, Masahiro
Chiral Brønsted acid-catalyzed enantioselective Friedel‒Crafts reaction of 2-methoxyfuran with aliphatic ketimines generated in situ
Chem. Sci., 2016, 7, 1057
1540515 CIFC47 H55 NP -114.501; 20.18; 22.027
62.892; 84.149; 77.27
5597Lee, Jongbok; Rajeeva, Bharath Bangalore; Yuan, Tianyu; Guo, Zi-Hao; Lin, Yen-Hao; Al-Hashimi, Mohammed; Zheng, Yuebing; Fang, Lei
Thermodynamic synthesis of solution processable ladder polymers
Chem. Sci., 2016, 7, 881
1540516 CIFC24 H18 B Cl3 F6 N2 O5P -110.3672; 15.451; 17.504
84.827; 78.441; 86.992
2734.1Ishihara, Kazuaki; Lu, Yanhui
Boronic acid‒DMAPO cooperative catalysis for dehydrative condensation between carboxylic acids and amines
Chem. Sci., 2016, 7, 1276
1540517 CIFC45 H26 Cl2 F N5P 1 21/c 111.74; 21.882; 28.231
90; 92.244; 90
7247Peng, Jiang; Guo, Xinyan; Jiang, Xinpeng; Zhao, Dahui; Ma, Yuguo
Developing efficient heavy-atom-free photosensitizers applicable to TTA upconversion in polymer films
Chem. Sci., 2016, 7, 1233
1540518 CIFC38 H35 N O SiP 21 21 219.568; 14.645; 21.564
90; 90; 90
3021.6Shintani, Ryo; Takano, Ryo; Nozaki, Kyoko
Rhodium-catalyzed asymmetric synthesis of silicon-stereogenic silicon-bridged arylpyridinones
Chem. Sci., 2016, 7, 1205
1540519 CIFC28 H36 S2P -16.7057; 9.395; 10.2135
75.517; 77.083; 71.249
582.7Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.
Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials
Chem. Sci., 2016, 7, 1281
1540520 CIFC28 H36 S2P -16.1837; 9.106; 11.6714
67.24; 76.721; 79.135
586.18Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.
Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials
Chem. Sci., 2016, 7, 1281
1540521 CIFC28 H32 O2 S2P -15.4552; 9.113; 24.9685
80.515; 88.025; 77.197
1193.85Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.
Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials
Chem. Sci., 2016, 7, 1281
1540522 CIFC28 H32 O2 S2P 1 21/n 111.2121; 10.8647; 19.8947
90; 92.346; 90
2421.46Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.
Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials
Chem. Sci., 2016, 7, 1281
1540523 CIFC26 H26 S2C 1 2/c 121.1876; 4.6865; 20.8975
90; 91.004; 90
2074.71Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.
Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials
Chem. Sci., 2016, 7, 1281
1540530 CIFC45 H62 N2 O2 P2 Rh2 S2P 1 21/n 112.7487; 19.7725; 18.4361
90; 103.046; 90
4527.3Jongbloed, L. S.; de Bruin, B.; Reek, J. N. H.; Lutz, M.; van der Vlugt, J. I.
Reversible cyclometalation at RhIas a motif for metal‒ligand bifunctional bond activation and base-free formic acid dehydrogenation
Catal. Sci. Technol., 2016, 6, 1320
1540531 CIFC25 H29 Cl N O P PdP 1 21/n 116.151; 9.5824; 16.403
90; 111.38; 90
2363.9Peng, Jing; Chen, Chao; Xi, Chanjuan
β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst
Chem. Sci., 2016, 7, 1383
1540532 CIFC47 H65 N O5C 1 2 135.188; 7.4837; 16.526
90; 98.87; 90
4299.9Peng, Jing; Chen, Chao; Xi, Chanjuan
β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst
Chem. Sci., 2016, 7, 1383
1540533 CIFC16 H22 N4 O6 UP 1 21/c 110.4376; 5.7148; 15.9916
90; 102.543; 90
931.11Abney, C. W.; Mayes, R. T.; Piechowicz, M.; Lin, Z.; Bryantsev, V. S.; Veith, G. M.; Dai, S.; Lin, W.
XAFS investigation of polyamidoxime-bound uranyl contests the paradigm from small molecule studies
Energy Environ. Sci., 2016, 9, 448
1540538 CIFC150.25 H144 Cl4.5 Mn12 N24 O56P 1 21/c 134.19; 32.89; 44.013
90; 110.32; 90
46413Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George
Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer
Chem. Sci., 2016, 7, 1156
1540539 CIFC65 H86 Mn6 N10 O26C 1 2/c 116.0232; 41.093; 13.0506
90; 110.908; 90
8027.2Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George
Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer
Chem. Sci., 2016, 7, 1156
1540540 CIFC80 H98 Cl10 Mn6 N10 O32P -116.7797; 16.9615; 20.538
93.849; 105.068; 116.263
4948.4Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George
Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer
Chem. Sci., 2016, 7, 1156
1540541 CIFC206 H252 Cl44 Mn12 N24 O48C 1 2/c 142.112; 26.498; 30.5334
90; 127.707; 90
26956Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George
Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer
Chem. Sci., 2016, 7, 1156
1540542 CIFC58 H94 Au B F4 N2 O3P -112.4983; 12.6057; 18.1384
98.507; 92.517; 95.084
2810.4Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy
Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes
Chem. Sci., 2016, 7, 150
1540543 CIFC60 H98 Au N2 O3.5C 1 2/c 120.0066; 16.2975; 20.6068
90; 119.023; 90
5875.3Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy
Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes
Chem. Sci., 2016, 7, 150
1540544 CIFC50 H74 Au B Cl4 F4 N2P 1 21/c 115.393; 14.569; 24.605
90; 106.993; 90
5277Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy
Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes
Chem. Sci., 2016, 7, 150
1540545 CIFC27 H43 B Cl Mg N6P 1 21 19.726; 17.928; 17.689
90; 90.136; 90
3084Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard
Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation
Chem. Sci., 2016, 7, 142
1540546 CIFC24 H40 B F Mg N6P 1 21/n 19.422; 30.397; 9.544
90; 98.992; 90
2699.8Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard
Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation
Chem. Sci., 2016, 7, 142
1540547 CIFC24 H40 B I Mg N6P 1 21/n 110.469; 16.987; 16.162
90; 91.359; 90
2873.4Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard
Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation
Chem. Sci., 2016, 7, 142
1540548 CIFC27 H43 B Br Mg N6P 1 21 19.724; 18.118; 17.751
90; 90.132; 90
3127Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard
Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation
Chem. Sci., 2016, 7, 142
1540553 CIFC18 H20 N2 O5 SP 1 21 16.7708; 15.0499; 18.2635
90; 98.942; 90
1838.43Oda, Susumu; Franke, Jana; Krische, Michael J.
Diene hydroaminomethylation via ruthenium-catalyzed C‒C bond forming transfer hydrogenation: beyond carbonylation
Chem. Sci., 2016, 7, 136
1540554 CIFC40 H56 B PP -110.311; 18.895; 20.77
69.618; 85.946; 76.898
3694.3Takamizawa, Satoshi; Takasaki, Yuichi
Shape-memory effect in an organosuperelastic crystal
Chem. Sci., 2016, 7, 1527
1540555 CIFC40 H56 B PP -110.5582; 19.131; 20.915
68.892; 85.501; 77.175
3842.8Takamizawa, Satoshi; Takasaki, Yuichi
Shape-memory effect in an organosuperelastic crystal
Chem. Sci., 2016, 7, 1527
1540556 CIFC40 H56 B PP 1 21/n 112.1401; 36.975; 17.688
90; 102.611; 90
7748.2Takamizawa, Satoshi; Takasaki, Yuichi
Shape-memory effect in an organosuperelastic crystal
Chem. Sci., 2016, 7, 1527
1540557 CIFC40 H56 B PP -110.1868; 18.7141; 20.7566
70.748; 86.972; 76.006
3623.3Takamizawa, Satoshi; Takasaki, Yuichi
Shape-memory effect in an organosuperelastic crystal
Chem. Sci., 2016, 7, 1527
1540558 CIFC40.75 H30.5 Au Cl1.5 Cr N O9 P SP -113.4225; 14.2249; 24.728
74.619; 89.572; 62.126
3986.3Applegate, Jason C.; Okeowo, Monisola K.; Erickson, Nathan R.; Neal, Brad M.; Berrie, Cindy L.; Gerasimchukand, Nikolay N.; Barybin, Mikhail V.
First π-linker featuring mercapto and isocyano anchoring groups within the same molecule: Synthesis, heterobimetallic complexation and self-assembly on Au(111).
Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1422-1429
1540560 CIFC64.5 H54 Cl8 I3 O2 Os P3P 1 21/c 112.9311; 22.2426; 23.2785
90; 102.771; 90
6529.8Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping
Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion
Chem. Sci., 2016, 7, 1815
1540561 CIFC64 H53 Br8 Cl2 O2 Os P3P 1 21/c 113.0217; 22.2992; 23.1406
90; 102.857; 90
6551Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping
Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion
Chem. Sci., 2016, 7, 1815
1540562 CIFC42 H53 Dy N2 O P2 Si2P 1 21/m 110.47242; 19.20658; 10.61743
90; 94.0778; 90
2130.18Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.
A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour
Chem. Sci., 2016, 7, 155
1540563 CIFC62 H77 N4 P4 Si4 YC 1 2/c 131.667; 25.7439; 20.938
90; 132.786; 90
12527Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.
A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour
Chem. Sci., 2016, 7, 155
1540564 CIFC62 H77 Dy N4 P4 Si4C 1 2/c 131.7145; 25.723; 20.9468
90; 132.69; 90
12560.4Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.
A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour
Chem. Sci., 2016, 7, 155
1540565 CIFC90 H132 K N4 O10 P4 Si4 YP -115.1169; 15.282; 21.1716
98.667; 94.975; 93.716
4801.8Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.
A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour
Chem. Sci., 2016, 7, 155
1540566 CIFC90 H132 Dy K N4 O10 P4 Si4P -115.1483; 15.3041; 21.1587
98.844; 95.182; 93.576
4812.6Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.
A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour
Chem. Sci., 2016, 7, 155
1540567 CIFC148 H170 Au25 O2 S36P -116.174; 17.746; 17.83
65; 64; 81
4166Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J.
Jahn‒Teller effects in Au25(SR)18
Chem. Sci., 2016, 7, 1882
1540568 CIFC144 H180 Au25 F6 P S18P -116.8533; 17.775; 18.2364
93.765; 114.867; 112.147
4424.4Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J.
Jahn‒Teller effects in Au25(SR)18
Chem. Sci., 2016, 7, 1882
1540579 CIFC26 H29 F3 N2 O5P 21 21 217.9683; 12.0495; 25.4584
90; 90; 90
2444.36Ozawa, Jun; Tashiro, Masayuki; Ni, Jizhi; Oisaki, Kounosuke; Kanai, Motomu
Chemo- and regioselective oxygenation of C(sp3)‒H bonds in aliphatic alcohols using a covalently bound directing activator and atmospheric oxygen
Chem. Sci., 2016, 7, 1904
1540581 CIFC23 H34 N2 OP -16.1983; 9.7636; 17.0724
75.866; 84.107; 87.755
996.5Race, Nicholas J.; Faulkner, Adele; Shaw, Megan H.; Bower, John F.
Dichotomous mechanistic behavior in Narasaka‒Heck cyclizations: electron rich Pd-catalysts generate iminyl radicals
Chem. Sci., 2016, 7, 1508
1540582 CIFC26.75 H24 F3 N O2P -19.6325; 13.413; 18.8693
96.651; 91.573; 109.521
2276.6Boerth, Jeffrey A.; Ellman, Jonathan A.
Rh(III)-Catalyzed Diastereoselective C-H Bond Addition/Cyclization Cascade of Enone Tethered Aldehydes.
Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1474-1479
1540583 CIFC54 H31 B F20 N O RhP -111.854; 13.0781; 16.154
79.702; 80.128; 73.163
2339.2Boerth, Jeffrey A.; Ellman, Jonathan A.
Rh(III)-Catalyzed Diastereoselective C-H Bond Addition/Cyclization Cascade of Enone Tethered Aldehydes.
Chemical science (Royal Society of Chemistry : 2010), 2016, 7, 1474-1479
1540585 CIFC109.5 H36 N3 S5 Sc3P -110.9903; 17.558; 19.758
99.562; 105.779; 107.217
3376.1Chen, Muqing; Bao, Lipiao; Ai, Min; Shen, Wangqiang; Lu, Xing
Sc3N@Ih-C80as a novel Lewis acid to trap abnormal N-heterocyclic carbenes: the unprecedented formation of a singly bonded [6,6,6]-adduct
Chem. Sci., 2016, 7, 2331
1540586 CIFC11 H7 F3 I NP 1 21/c 17.7762; 19.2554; 7.6287
90; 98.728; 90
1129.05Jacquet, Jérémy; Blanchard, Sébastien; Derat, Etienne; Desage-El Murr, Marine; Fensterbank, Louis
Redox-ligand sustains controlled generation of CF3radicals by well-defined copper complex
Chem. Sci., 2016, 7, 2030
1540587 CIFCo2.581 F6 Mn0.419 O6 Sb4I -4 3 m8.1809; 8.1809; 8.1809
90; 90; 90
547.524Svengren, H.; Torapava, N.; Athanassiadis, I.; Ali, S. I.; Johnsson, M.
A transition metal oxofluoride offering advantages in electrocatalysis and potential use in applications.
Faraday discussions, 2016, 188, 481-498
1540650 CIFC16 H26 Br2 Fe N4P 1 21/c 17.7264; 17.285; 14.927
90; 94.081; 90
1988.5Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo
Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts
Polym. Chem., 2016, 7, 1037
1540651 CIFC11 H24 Br2 Fe N4P n a 2116.3535; 12.5257; 7.6117
90; 90; 90
1559.2Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo
Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts
Polym. Chem., 2016, 7, 1037
1540652 CIFC27 H63 Br6 Fe3 N9P b c a22.0243; 16.0659; 23.6931
90; 90; 90
8383.6Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo
Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts
Polym. Chem., 2016, 7, 1037
1540653 CIFC30 H47 Cl N2 PdP 1 21/n 115.919; 11.3592; 17.894
90; 114.701; 90
2939.7Hu, Haibin; Chen, Darui; Gao, Haiyang; Zhong, Liu; Wu, Qing
Amine‒imine palladium catalysts for living polymerization of ethylene and copolymerization of ethylene with methyl acrylate: incorporation of acrylate units into the main chain and branch end
Polym. Chem., 2016, 7, 529
1540654 CIFC64 H62 B F24 N3 O0.5 PdP -112.1356; 13.0597; 22.3007
103.235; 98.496; 101.575
3300.29Hu, Haibin; Chen, Darui; Gao, Haiyang; Zhong, Liu; Wu, Qing
Amine‒imine palladium catalysts for living polymerization of ethylene and copolymerization of ethylene with methyl acrylate: incorporation of acrylate units into the main chain and branch end
Polym. Chem., 2016, 7, 529
1540655 CIFC22 H14 Co In O8I -4 3 d20.447; 20.447; 20.447
90; 90; 90
8548.48Grigoropoulos, Alexios; Whitehead, George F. S.; Perret, Noémie; Katsoulidis, Alexandros P.; Chadwick, F. Mark; Davies, Robert P.; Haynes, Anthony; Brammer, Lee; Weller, Andrew S.; Xiao, Jianliang; Rosseinsky, Matthew J.
Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF
Chem. Sci., 2016, 7, 2037
1540656 CIFC12 H4 Co0.28 In O8I -4 3 d20.4031; 20.4031; 20.4031
90; 90; 90
8493.53Grigoropoulos, Alexios; Whitehead, George F. S.; Perret, Noémie; Katsoulidis, Alexandros P.; Chadwick, F. Mark; Davies, Robert P.; Haynes, Anthony; Brammer, Lee; Weller, Andrew S.; Xiao, Jianliang; Rosseinsky, Matthew J.
Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF
Chem. Sci., 2016, 7, 2037
1540657 CIFC17 H23 F2 N O5 SC 1 2/c 138.0429; 5.96446; 19.5829
90; 120.924; 90
3811.83Saidalimu, Ibrayim; Suzuki, Shugo; Tokunaga, Etsuko; Shibata, Norio
Successive C‒C bond cleavage, fluorination, trifluoromethylthio- and pentafluorophenylthiolation under metal-free conditions to provide compounds with dual fluoro-functionalization
Chem. Sci., 2016, 7, 2106
1540658 CIFC14 H14 F4 O5 SP 1 21/n 18.1328; 19.0087; 10.727
90; 104.653; 90
1604.39Saidalimu, Ibrayim; Suzuki, Shugo; Tokunaga, Etsuko; Shibata, Norio
Successive C‒C bond cleavage, fluorination, trifluoromethylthio- and pentafluorophenylthiolation under metal-free conditions to provide compounds with dual fluoro-functionalization
Chem. Sci., 2016, 7, 2106
1540659 CIFC104.2 H58 F20 N8 O1.45 S4C 1 2/c 156.36; 9.525; 42.145
90; 119.716; 90
19649Oh, Juwon; Mori, Hirotaka; Sung, Young Mo; Kim, Woojae; Osuka, Atsuhiro; Kim, Dongho
Switchable π-electronic network of bis(α-oligothienyl)-substituted hexaphyrins between helical versus rectangular circuit
Chem. Sci., 2016, 7, 2239
1540660 CIFC32 H44 N2 Ni O2P 1 21/c 110.2568; 19.4457; 15.3511
90; 107.575; 90
2918.9Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.
Near-IR absorbing donor‒acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)
Chem. Sci., 2016, 7, 1807
1540661 CIFC56 H73 N3 Ni OP 21 21 2115.7714; 17.0164; 18.6084
90; 90; 90
4994Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.
Near-IR absorbing donor‒acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)
Chem. Sci., 2016, 7, 1807
1540662 CIFC54 H65 N3 Ni O2P 1 21/c 110.3735; 18.252; 24.6774
90; 97.1921; 90
4635.6Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.
Near-IR absorbing donor‒acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)
Chem. Sci., 2016, 7, 1807
1540663 CIFC44 H40 N8 O8 Zn2C 1 2/c 112.0935; 34.0051; 31.9458
90; 93.564; 90
13112Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung
Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation
CrystEngComm, 2016, 18, 1600
1540664 CIFC60 H88 N12 O18 Zn2P 1 21/c 119.5006; 20.5981; 18.7188
90; 116.064; 90
6754.2Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung
Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation
CrystEngComm, 2016, 18, 1600
1540665 CIFC22 H20 N4 O4 ZnP b c a18.6866; 15.8553; 22.302
90; 90; 90
6607.7Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung
Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation
CrystEngComm, 2016, 18, 1600
1540666 CIFC37 H35 N4 O4 ZnP 1 21/c 19.987; 22.605; 17.815
90; 121.513; 90
3429Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung
Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation
CrystEngComm, 2016, 18, 1600
1540667 CIFC60 H81 N9 O13 Zn2P 1 21/n 110.3361; 20.4349; 16.2418
90; 91.807; 90
3428.8Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung
Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation
CrystEngComm, 2016, 18, 1600
1540668 CIFC41 H39 Cr Fe3 O5 PC 1 2/c 120.142; 15.184; 25.001
90; 104.581; 90
7400Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B.
Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 2859-2867
1540669 CIFC41 H39 Fe3 Mo O5 PC 1 2/c 120.3; 15.312; 25.118
90; 104.367; 90
7563Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B.
Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 2859-2867
1540670 CIFC17 H15 Fe O5 P WP 1 21/c 120.416; 7.239; 25.066
90; 97.888; 90
3669Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B.
Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 2859-2867
1540671 CIFC29 H27 Fe2 O5 P WP 1 21/c 117.504; 12.9315; 12.708
90; 109.26; 90
2715.5Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B.
Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 2859-2867
1540672 CIFC41 H39 Fe3 O5 P WC 1 2/c 120.307; 15.287; 25.101
90; 104.391; 90
7548Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B.
Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 2859-2867
1540673 CIFC32 H30 Cu2 N4 O23 P2 W5F d d 219.005; 42.763; 10.6834
90; 90; 90
8682.5Ma, Hong-Xin; Du, Jing; Zhu, Zai-Ming; Lu, Ting; Su, Fang; Zhang, Lan-Cui
Controllable assembly, characterization and catalytic properties of a new Strandberg-type organophosphotungstate.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 1631-1637
1540674 CIFC60 H74 Cu3 N12 O52 W12P 1 21/c 112.796; 25.625; 16.112
90; 119.955; 90
4577Ma, Hong-Xin; Du, Jing; Zhu, Zai-Ming; Lu, Ting; Su, Fang; Zhang, Lan-Cui
Controllable assembly, characterization and catalytic properties of a new Strandberg-type organophosphotungstate.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 1631-1637
1540675 CIFC51 H33 Au N6 O2P -18.6926; 15.5671; 15.6537
106.257; 106.034; 95.639
1918.7Sinha, Woormileela; Sommer, Michael G.; van der Meer, Margarethe; Plebst, Sebastian; Sarkar, Biprajit; Kar, Sanjib
Structural, electrochemical and spectroelectrochemical study on the geometric and electronic structures of [(corrolato)Au(III)](n) (n = 0, +1, -1) complexes.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 2914-2923
1540676 CIFO48 Si24P 1 21/n 119.866; 20.099; 13.362
90; 90.6; 90
5335Pham, Tung Cao Thanh; Docao, Son; Hwang, In Chul; Song, Mee Kyung; Choi, Do Young; Moon, Dohyun; Oleynikov, Peter; Yoon, Kyung Byung
Capture of iodine and organic iodides using silica zeolites and the semiconductor behaviour of iodine in a silica zeolite
Energy Environ. Sci., 2016, 9, 1050

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