Crystallography Open Database
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Searching year of publication is 2016
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1540453 | CIF | C17 H14 B N3 O2 | P c a 21 | 19.788; 6.095; 12.5928 90; 90; 90 | 1518.8 | Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter, 2016, 12, 588-593 |
1540454 | CIF | C20 H14 S2 | P -1 | 8.9174; 9.1478; 11.846 92.804; 110.458; 116.89 | 782.3 | Nell, 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 | CIF | C94 H100 Au2 Cl6 Fe4 N8 | C 1 2/c 1 | 27.57803; 11.91923; 27.111 90; 95.085; 90 | 8876.6 | Arambula, 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 | CIF | C50 H48 Au Fe4 I N4 | P -1 | 12.3866; 12.62423; 15.23356 90.566; 98.3173; 114.321 | 2141.5 | Arambula, 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 | CIF | C31 H56 Cl2 N10 | P 1 21/m 1 | 5.8762; 23.96; 12.4969 90; 91.956; 90 | 1758.5 | Zambon, 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 | CIF | C60 H91 N21 O4 | P 1 21/c 1 | 21.414; 11.9388; 25.308 90; 96.333; 90 | 6430.7 | Zambon, 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 | CIF | C23 H41 Cl Ni O3 P2 | P 1 21/c 1 | 14.485; 7.985; 23.646 90; 106.418; 90 | 2623.4 | Ramakrishnan, 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 | CIF | C23 H41 Cl Ni O2 P2 | P 1 21/n 1 | 9.8433; 19.618; 13.982 90; 105.052; 90 | 2607.4 | Ramakrishnan, 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 | CIF | C23 H42 Ni O3 P2 | P 1 21/n 1 | 9.756; 19.408; 14.026 90; 104.528; 90 | 2570.8 | Ramakrishnan, 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 | CIF | C23 H42 Ni O2 P2 | P 1 21/n 1 | 9.528; 20.201; 13.434 90; 100.908; 90 | 2539 | Ramakrishnan, 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 | CIF | C30 H56 Ni O2 P2 | P 1 21/n 1 | 15.131; 12.589; 17.529 90; 106.717; 90 | 3197.9 | Ramakrishnan, 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 | CIF | C25 H44 B F4 N Ni O2 P2 | P 1 21/m 1 | 7.6473; 12.5571; 15.1719 90; 92.552; 90 | 1455.5 | Ramakrishnan, 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 | CIF | C17 H11 N3 O6 | P 1 21/c 1 | 9.9877; 15.1541; 10.2131 90; 103.161; 90 | 1505.2 | Meazza, Marta; Light, Mark E.; Mazzanti, Andrea; Rios, Ramon Synergistic catalysis: cis-cyclopropanation of benzoxazoles Chem. Sci., 2016, 7, 984 |
1540485 | CIF | C29 H39 Cl O3 P2 Pd | P 21 21 21 | 10.278; 15.524; 18.474 90; 90; 90 | 2947.6 | Mitsushige, 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 | CIF | C25 H45 F6 O3 P3 Pd | P -1 | 8.338; 13.576; 14.319 81.992; 83.829; 75.466 | 1549.2 | Mitsushige, 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 | CIF | C31 H51 Cl2 F6 N O3 P3 Pd | C 1 c 1 | 8.2128; 22.725; 20.504 90; 100.299; 90 | 3765.1 | Mitsushige, 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 | CIF | C35 H47 Cl5 F6 O5 P3 Pd | P 1 21/c 1 | 11.521; 16.475; 22.564 90; 99.836; 90 | 4219.9 | Mitsushige, 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 | CIF | C38 H44 F12 N O3 P3 Pd | P b c a | 14.361; 22.678; 25.532 90; 90; 90 | 8315 | Mitsushige, 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 | CIF | C10 H26 Fe2 N2 O18 | P 1 21/n 1 | 8.2586; 15.8638; 9.4209 90; 113.19; 90 | 1134.5 | Sadakiyo, 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 | CIF | C10 H26 Mg2 N2 O18 | P 1 21/n 1 | 8.292; 15.688; 9.38 90; 114.8; 90 | 1107.7 | Sadakiyo, 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 | CIF | C35 H30 | P 1 21/n 1 | 7.3879; 15.852; 41.261 90; 90.675; 90 | 4831.9 | Xue, 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 | CIF | C44 H39 N | R -3 :H | 18.861; 18.861; 7.446 90; 90; 120 | 2294 | Xue, 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 | CIF | C49 H42 | C 1 2/c 1 | 29.026; 7.501; 33.242 90; 104.96; 90 | 6992 | Xue, 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 | CIF | C62.9 H62.9 Cl2.71 | P b c a | 14.3269; 17.0916; 42.481 90; 90; 90 | 10402.3 | Xue, 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 | CIF | C63 H54 | P 1 21/n 1 | 22.263; 7.4477; 28.978 90; 109.502; 90 | 4529.1 | Xue, 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 | CIF | C39 H30 | P b c a | 16.2912; 15.2859; 43.96 90; 90; 90 | 10947.2 | Xue, 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 | CIF | C15 H14 N2 O3 S | P 21 21 21 | 6.182; 8.842; 26.31 90; 90; 90 | 1438 | Kondoh, 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 | CIF | C47 H55 N | P -1 | 14.501; 20.18; 22.027 62.892; 84.149; 77.27 | 5597 | Lee, 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 | CIF | C24 H18 B Cl3 F6 N2 O5 | P -1 | 10.3672; 15.451; 17.504 84.827; 78.441; 86.992 | 2734.1 | Ishihara, Kazuaki; Lu, Yanhui Boronic acid‒DMAPO cooperative catalysis for dehydrative condensation between carboxylic acids and amines Chem. Sci., 2016, 7, 1276 |
1540517 | CIF | C45 H26 Cl2 F N5 | P 1 21/c 1 | 11.74; 21.882; 28.231 90; 92.244; 90 | 7247 | Peng, 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 | CIF | C38 H35 N O Si | P 21 21 21 | 9.568; 14.645; 21.564 90; 90; 90 | 3021.6 | Shintani, Ryo; Takano, Ryo; Nozaki, Kyoko Rhodium-catalyzed asymmetric synthesis of silicon-stereogenic silicon-bridged arylpyridinones Chem. Sci., 2016, 7, 1205 |
1540519 | CIF | C28 H36 S2 | P -1 | 6.7057; 9.395; 10.2135 75.517; 77.083; 71.249 | 582.7 | Eberhart, 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 | CIF | C28 H36 S2 | P -1 | 6.1837; 9.106; 11.6714 67.24; 76.721; 79.135 | 586.18 | Eberhart, 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 | CIF | C28 H32 O2 S2 | P -1 | 5.4552; 9.113; 24.9685 80.515; 88.025; 77.197 | 1193.85 | Eberhart, 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 | CIF | C28 H32 O2 S2 | P 1 21/n 1 | 11.2121; 10.8647; 19.8947 90; 92.346; 90 | 2421.46 | Eberhart, 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 | CIF | C26 H26 S2 | C 1 2/c 1 | 21.1876; 4.6865; 20.8975 90; 91.004; 90 | 2074.71 | Eberhart, 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 | CIF | C45 H62 N2 O2 P2 Rh2 S2 | P 1 21/n 1 | 12.7487; 19.7725; 18.4361 90; 103.046; 90 | 4527.3 | Jongbloed, 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 | CIF | C25 H29 Cl N O P Pd | P 1 21/n 1 | 16.151; 9.5824; 16.403 90; 111.38; 90 | 2363.9 | Peng, 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 | CIF | C47 H65 N O5 | C 1 2 1 | 35.188; 7.4837; 16.526 90; 98.87; 90 | 4299.9 | Peng, 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 | CIF | C16 H22 N4 O6 U | P 1 21/c 1 | 10.4376; 5.7148; 15.9916 90; 102.543; 90 | 931.11 | Abney, 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 | CIF | C150.25 H144 Cl4.5 Mn12 N24 O56 | P 1 21/c 1 | 34.19; 32.89; 44.013 90; 110.32; 90 | 46413 | Nguyen, 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 | CIF | C65 H86 Mn6 N10 O26 | C 1 2/c 1 | 16.0232; 41.093; 13.0506 90; 110.908; 90 | 8027.2 | Nguyen, 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 | CIF | C80 H98 Cl10 Mn6 N10 O32 | P -1 | 16.7797; 16.9615; 20.538 93.849; 105.068; 116.263 | 4948.4 | Nguyen, 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 | CIF | C206 H252 Cl44 Mn12 N24 O48 | C 1 2/c 1 | 42.112; 26.498; 30.5334 90; 127.707; 90 | 26956 | Nguyen, 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 | CIF | C58 H94 Au B F4 N2 O3 | P -1 | 12.4983; 12.6057; 18.1384 98.507; 92.517; 95.084 | 2810.4 | Jin, 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 | CIF | C60 H98 Au N2 O3.5 | C 1 2/c 1 | 20.0066; 16.2975; 20.6068 90; 119.023; 90 | 5875.3 | Jin, 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 | CIF | C50 H74 Au B Cl4 F4 N2 | P 1 21/c 1 | 15.393; 14.569; 24.605 90; 106.993; 90 | 5277 | Jin, 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 | CIF | C27 H43 B Cl Mg N6 | P 1 21 1 | 9.726; 17.928; 17.689 90; 90.136; 90 | 3084 | Rauch, 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 | CIF | C24 H40 B F Mg N6 | P 1 21/n 1 | 9.422; 30.397; 9.544 90; 98.992; 90 | 2699.8 | Rauch, 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 | CIF | C24 H40 B I Mg N6 | P 1 21/n 1 | 10.469; 16.987; 16.162 90; 91.359; 90 | 2873.4 | Rauch, 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 |
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