Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1515889 | CIF | C10 H32 B2 N4 Ni | P 1 21/c 1 | 7.1397; 12.8109; 8.7041 90; 109.948; 90 | 748.36 | Churchard, Andrew James; Cyranski, Michał Ksawery; Dobrzycki, Łukasz; Budzianowski, Armand; Grochala, Wojciech Nickel macrocycles with complex hydrides—new avenues for hydrogen storage research Energy & Environmental Science, 2010, 3, 1973 |
| 1515890 | CIF | C17 H20 Co N5 O1.5 | I 41/a m d :2 | 22.847; 22.847; 12.458 90; 90; 90 | 6503 | Choi, Hye Jin; Dincă, Mircea; Dailly, Anne; Long, Jeffrey R. Hydrogen storage in water-stable metal‒organic frameworks incorporating 1,3- and 1,4-benzenedipyrazolate Energy & Environmental Science, 2010, 3, 117 |
| 1515891 | CIF | C201 H189 Cl18 F12 N8 O20 P8 Pd4 S4 | P 1 21/n 1 | 21.659; 23.21; 26.022 90; 100.67; 90 | 12855 | Eastoe, Julian; Fairlamb, Ian J. S.; Fernández-Hernández, Jesús M.; Filali, Emane; Jeffery, John C.; Lloyd-Jones, Guy C.; Martorell, Aina; Meadowcroft, Antony; Norrby, Per-Ola; Riis-Johannessen, Thomas; Sale, David A.; Tomlin, Paula M. Interrogation of a dynamic multi-catalyst ensemble in asymmetric catalysis Faraday Discussions, 2010, 145, 27 |
| 1515892 | CIF | C33 H52 Cl2 Cu2 N6 O5 | P -1 | 11.83; 12.567; 13.948 90.41; 107.95; 96.696 | 1957.2 | Lee, Wan Yen; Lee, Peter Peng Foo; Yan, Yaw Kai; Lau, Mathew Cytotoxic copper(II) salicylaldehyde semicarbazone complexes: mode of action and proteomic analysis. Metallomics : integrated biometal science, 2010, 2, 694-705 |
| 1515893 | CIF | C34 H37 Cl N2 O4 Sn | P 1 21/n 1 | 9.9082; 30.6676; 11.2189 90; 107.661; 90 | 3248.3 | Kaluđerović, Goran N; Kommera, Harish; Hey-Hawkins, Evamarie; Paschke, Reinhard; Gómez-Ruiz, Santiago Synthesis and biological applications of ionic triphenyltin(IV) chloride carboxylate complexes with exceptionally high cytotoxicity. Metallomics : integrated biometal science, 2010, 2, 419-428 |
| 1515894 | CIF | C45 H59 Co N3 O5.5 | P 1 21/c 1 | 13.205; 16.068; 21.477 90; 105.504; 90 | 4391 | Saha, Sounik; Majumdar, Ritankar; Dighe, Rajan R.; Chakravarty, Akhil R. Enhanced photodynamic effect of cobalt(III) dipyridophenazine complex on thyrotropin receptor expressing HEK293 cells. Metallomics : integrated biometal science, 2010, 2, 754-765 |
| 1515895 | CIF | C31 H41 Cl F In N8 O10 | P 1 21/c 1 | 9.3886; 26.4945; 13.4424 90; 93.837; 90 | 3336.25 | Garcia, Raquel; Kubíček, Vojtěch; Drahoš, Bohuslav; Gano, Lurdes; Santos, Isabel C.; Campello, Paula; Paulo, António; Tóth, Eva; Santos, Isabel Synthesis, characterization and biological evaluation of In(III) complexes anchored by DOTA-like chelators bearing a quinazoline moiety. Metallomics : integrated biometal science, 2010, 2, 571-580 |
| 1515896 | CIF | C42 H22 Cl12 N4 O10 | P -1 | 9.3384; 10.8469; 12.0839 99.18; 104.737; 109.772 | 1072.6 | Pandurangan, Komala; Gallagher, Shane; Morgan, Grace G.; Müller-Bunz, Helge; Paradisi, Francesca Structure and antibacterial activity of the silver(I) complex of 2-aminophenoxazine-3-one. Metallomics : integrated biometal science, 2010, 2, 530-534 |
| 1515897 | CIF | C12 H8 Ag N3 O5 | P -1 | 5.1653; 10.3434; 11.0739 99.015; 98.899; 91.963 | 576.26 | Pandurangan, Komala; Gallagher, Shane; Morgan, Grace G.; Müller-Bunz, Helge; Paradisi, Francesca Structure and antibacterial activity of the silver(I) complex of 2-aminophenoxazine-3-one. Metallomics : integrated biometal science, 2010, 2, 530-534 |
| 1515898 | CIF | C24 H20 Br2 O2 | P 1 21/n 1 | 12.0856; 7.4117; 23.495 90; 90.629; 90 | 2104.4 | Huang, Changfeng; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K. Functionalized Carbon Nanohoops: Synthesis and Structure of a [9]Cycloparaphenylene Bearing Three 5,8-Dimethoxynaphth-1,4-diyl Units. Organic letters, 2014, 16, 2672-2675 |
| 1515899 | CIF | C51 H47 O4 | P 1 21/n 1 | 15.9298; 30.8837; 23.5589 90; 90.976; 90 | 11588.6 | Huang, Changfeng; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K. Functionalized Carbon Nanohoops: Synthesis and Structure of a [9]Cycloparaphenylene Bearing Three 5,8-Dimethoxynaphth-1,4-diyl Units. Organic letters, 2014, 16, 2672-2675 |
| 1515900 | CIF | C22 H16 Br2 O2 | P 1 21/c 1 | 12.845; 6.7365; 22.24 90; 101.173; 90 | 1888 | Huang, Changfeng; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K. Functionalized Carbon Nanohoops: Synthesis and Structure of a [9]Cycloparaphenylene Bearing Three 5,8-Dimethoxynaphth-1,4-diyl Units. Organic letters, 2014, 16, 2672-2675 |
| 1515901 | CIF | C14 H22 O | P 21 21 21 | 5.8497; 8.507; 24.476 90; 90; 90 | 1218 | Terada, Takuma; Kurahashi, Takuya; Matsubara, Seijiro Diastereoselective Construction of Trans-Fused Octalone Framework via Ruthenium-Porphyrin-Catalyzed Cycloaddition. Organic letters, 2014, 16, 2594-2597 |
| 1515902 | CIF | C16 H17 Cl O | P -1 | 5.4255; 9.6517; 12.7498 91.736; 93.937; 94.455 | 663.63 | Terada, Takuma; Kurahashi, Takuya; Matsubara, Seijiro Diastereoselective Construction of Trans-Fused Octalone Framework via Ruthenium-Porphyrin-Catalyzed Cycloaddition. Organic letters, 2014, 16, 2594-2597 |
| 1515903 | CIF | C12 H18 O | P 1 21/c 1 | 19.218; 5.8015; 9.748 90; 101.087; 90 | 1066.6 | Terada, Takuma; Kurahashi, Takuya; Matsubara, Seijiro Diastereoselective Construction of Trans-Fused Octalone Framework via Ruthenium-Porphyrin-Catalyzed Cycloaddition. Organic letters, 2014, 16, 2594-2597 |
| 1515904 | CIF | C20 H13 N3 O S | P -1 | 8.9629; 9.0475; 10.4647 111.391; 90.22; 91.569 | 789.76 | Neto, Brenno A. D.; Lapis, Alexandre A. M.; Mancilha, Fabiana S.; Batista, Jr, Eraldo L; Netz, Paulo A.; Rominger, Frank; Basso, Luiz A.; Santos, Diógenes S; Dupont, Jaïrton On the selective detection of duplex deoxyribonucleic acids by 2,1,3-benzothiadiazole fluorophores. Molecular bioSystems, 2010, 6, 967-975 |
| 1515905 | CIF | C20 H13 N3 O S | P -1 | 7.491; 16.4275; 21.0326 107.378; 96.119; 97.804 | 2417.4 | Neto, Brenno A. D.; Lapis, Alexandre A. M.; Mancilha, Fabiana S.; Batista, Jr, Eraldo L; Netz, Paulo A.; Rominger, Frank; Basso, Luiz A.; Santos, Diógenes S; Dupont, Jaïrton On the selective detection of duplex deoxyribonucleic acids by 2,1,3-benzothiadiazole fluorophores. Molecular bioSystems, 2010, 6, 967-975 |
| 1515906 | CIF | C60 H52 Mo2 N6 O10 | P -1 | 9.8; 12.6442; 23.2653 100.197; 100.351; 100.798 | 2718.72 | Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Spilker, Thomas F.; Young, Philip J. Molybdenum–molybdenum quadruple bonds supported by 9,10-anthraquinone carboxylate ligands. Molecular, electronic, ground state and unusual photoexcited state properties Chemical Science, 2014, 5, 2657 |
| 1515907 | CIF | C47 H55 Al N3 O2 | P 1 21/c 1 | 13.6878; 11.4342; 27.5312 90; 109.089; 90 | 4071.94 | Myers, T. W.; Berben, L. A. Aluminium‒ligand cooperation promotes selective dehydrogenation of formic acid to H2 and CO2 Chemical Science, 2014, 5, 2771 |
| 1515908 | CIF | C12 H30 Cl2 Co N4 O4 | R 3 c :H | 9.891; 9.891; 33.183 90; 90; 120 | 2811 | Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes Chemical Science, 2014, 5, 3418 |
| 1515909 | CIF | C12 H30 Br2 Co N4 | P 21 3 | 12.0262; 12.0262; 12.0262 90; 90; 90 | 1739.34 | Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes Chemical Science, 2014, 5, 3418 |
| 1515910 | CIF | C12 H30 Cl2 N4 O4 Zn | R 3 c :H | 9.9025; 9.9025; 33.1835 90; 90; 120 | 2818.01 | Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes Chemical Science, 2014, 5, 3418 |
| 1515911 | CIF | C29 H22 F6 S2 | P b c n | 22.339; 10.971; 10.585 90; 90; 90 | 2594.2 | Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 221-225 |
| 1515912 | CIF | C29 H22 F6 S2 | P b c n | 22.3; 11.026; 10.542 90; 90; 90 | 2592 | Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 221-225 |
| 1515913 | CIF | C27 H20 F6 N2 S2 | P b c n | 21.5461; 10.8096; 10.8098 90; 90; 90 | 2517.7 | Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 221-225 |
| 1515914 | CIF | C27 H20 F6 N2 S2 | P b c n | 21.586; 10.8692; 10.7268 90; 90; 90 | 2516.7 | Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 221-225 |
| 1515915 | CIF | C27 H20 F6 N2 S2 | P 1 21/c 1 | 9.5508; 19.4249; 13.5268 90; 95.743; 90 | 2496.9 | Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 221-225 |
| 1515916 | CIF | C31 H26 F6 S2 | P b c n | 21.307; 12.193; 10.669 90; 90; 90 | 2771.8 | Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 221-225 |
| 1515917 | CIF | C21 H21 B F2 N2 O2 | C 1 2 1 | 32.787; 7.992; 7.252 90; 90.19; 90 | 1900.3 | Filarowski, Aleksander; Kluba, Małgorzata; Cieślik-Boczula, Katarzyna; Koll, Aleksander; Kochel, Andrzej; Pandey, Lesley; De Borggraeve, Wim M.; Van der Auweraer, Mark; Catalán, Javier; Boens, Noël Generalized solvent scales as a tool for investigating solvent dependence of spectroscopic and kinetic parameters. Application to fluorescent BODIPY dyes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 996-1008 |
| 1515918 | CIF | C50 H34 Cl4 F4 Ir N7 O3 | P -1 | 10.5366; 12.5473; 17.9886 103.206; 94.101; 95.199 | 2295.33 | Tart, Nicholas M.; Sykes, Daniel; Sazanovich, Igor; Tidmarsh, Ian S.; Ward, Michael D. Iridium(III) luminophores as energy donors for sensitised emission from lanthanides in the visible and near-infrared regions. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 886-889 |
| 1515919 | CIF | C23 H15 B F2 N2 | P b c a | 13.0065; 12.4226; 21.8351 90; 90; 90 | 3528 | Benniston, Andrew C.; Harriman, Anthony; Whittle, Victoria L.; Zelzer, Mischa; Harrington, Ross W.; Clegg, William Exciplex-like emission from a closely-spaced, orthogonally-sited anthracenyl-boron dipyrromethene (Bodipy) molecular dyad. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 1009-1017 |
| 1515920 | CIF | C31 H26 B2 F8 N2 O | C 1 2/c 1 | 30.0651; 13.6116; 15.4512 90; 114.351; 90 | 5760.63 | El-Idreesy, Tamer T; Clennan, Edward L. Computational and experimental evidence for the first direct spectroscopic detection of the pyrylogen neutral redox partner. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 796-800 |
| 1515921 | CIF | C30 H31 B2 F8 N O7 | P -1 | 8.7453; 14.2435; 14.7221 118.767; 91.692; 95.485 | 1594.15 | El-Idreesy, Tamer T; Clennan, Edward L. Computational and experimental evidence for the first direct spectroscopic detection of the pyrylogen neutral redox partner. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 796-800 |
| 1515922 | CIF | C45 H30 F6 S2 | P c c n | 26.732; 8.0585; 16.3195 90; 90; 90 | 3515.5 | Ohara, Hiroki; Morimoto, Masakazu; Irie, Masahiro Photochromism of dithienylethene single crystals having anthracene substituents. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 1079-1081 |
| 1515923 | CIF | C45 H30 F6 S2 | P -1 | 9.8648; 11.9212; 15.7333 70.46; 82.316; 82.209 | 1719.8 | Ohara, Hiroki; Morimoto, Masakazu; Irie, Masahiro Photochromism of dithienylethene single crystals having anthracene substituents. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 1079-1081 |
| 1515924 | CIF | C45 H30 F6 S2 | P -1 | 9.8101; 11.5143; 16.5482 72.389; 86.286; 81.997 | 1763.8 | Ohara, Hiroki; Morimoto, Masakazu; Irie, Masahiro Photochromism of dithienylethene single crystals having anthracene substituents. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2010, 9, 1079-1081 |
| 1515925 | CIF | C6 H7 Br O4 | P 1 21 1 | 8.349; 5.2884; 9.007 90; 101.9; 90 | 389.1 | Fiore, Gina L.; Jing, Feng; Young, Jr., Victor G.; Cramer, Christopher J.; Hillmyer, Marc A. High Tg aliphatic polyesters by the polymerization of spirolactide derivatives Polymer Chemistry, 2010, 1, 870 |
| 1515926 | CIF | C6 H6 O4 | P 1 21 1 | 5.7525; 7.0293; 7.8151 90; 99.916; 90 | 311.29 | Fiore, Gina L.; Jing, Feng; Young, Jr., Victor G.; Cramer, Christopher J.; Hillmyer, Marc A. High Tg aliphatic polyesters by the polymerization of spirolactide derivatives Polymer Chemistry, 2010, 1, 870 |
| 1515927 | CIF | C22 H19 N | P b c a | 16.1137; 8.8958; 22.983 90; 90; 90 | 3294.5 | Greenberg, Sharonna; Stephan, Douglas W. Hydroamination as a route to nitrogen-containing oligomers Polymer Chemistry, 2010, 1, 1332 |
| 1515928 | CIF | C20 H17 N | P 1 21/n 1 | 5.5976; 8.3168; 31.769 90; 92.784; 90 | 1477.2 | Greenberg, Sharonna; Stephan, Douglas W. Hydroamination as a route to nitrogen-containing oligomers Polymer Chemistry, 2010, 1, 1332 |
| 1515929 | CIF | C26 H29 N | P 1 21/c 1 | 11.2839; 11.8464; 15.6094 90; 94.908; 90 | 2078.91 | Greenberg, Sharonna; Stephan, Douglas W. Hydroamination as a route to nitrogen-containing oligomers Polymer Chemistry, 2010, 1, 1332 |
| 1515930 | CIF | C96 H136 Br4 Cu4 N24 O23 | I 41/a :2 | 18.241; 18.241; 35.422 90; 90; 90 | 11786 | Piepenbrock, Marc-Oliver M.; Clarke, Nigel; Steed, Jonathan W. Shear induced gelation in a copper(ii) metallogel: new aspects of ion-tunable rheology and gel-reformation by external chemical stimuli Soft Matter, 2010, 6, 3541 |
| 1515931 | CIF | C48.8 H73.6 Br4 Cu2 N12 O12 | P 1 21/n 1 | 8.215; 8.5279; 42.049 90; 92.813; 90 | 2942.3 | Piepenbrock, Marc-Oliver M.; Clarke, Nigel; Steed, Jonathan W. Shear induced gelation in a copper(ii) metallogel: new aspects of ion-tunable rheology and gel-reformation by external chemical stimuli Soft Matter, 2010, 6, 3541 |
| 1515932 | CIF | C30 H51 N O4 S | P 1 21 1 | 10.1039; 7.5996; 19.6507 90; 101.655; 90 | 1477.78 | Noponen, Virpi; Nonappa,; Lahtinen, Manu; Valkonen, Arto; Salo, Hannu; Kolehmainen, Erkki; Sievänen, Elina Bile acid–amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition Soft Matter, 2010, 6, 3789 |
| 1515933 | CIF | C30 H51 N O4 S | P 1 21 1 | 9.9056; 7.6387; 19.5268 90; 104.788; 90 | 1428.57 | Noponen, Virpi; Nonappa,; Lahtinen, Manu; Valkonen, Arto; Salo, Hannu; Kolehmainen, Erkki; Sievänen, Elina Bile acid–amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition Soft Matter, 2010, 6, 3789 |
| 1515934 | CIF | C30 H51 N O5 S | P 1 21 1 | 10.1765; 7.5262; 19.5268 90; 102.747; 90 | 1458.71 | Noponen, Virpi; Nonappa,; Lahtinen, Manu; Valkonen, Arto; Salo, Hannu; Kolehmainen, Erkki; Sievänen, Elina Bile acid–amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition Soft Matter, 2010, 6, 3789 |
| 1515935 | CIF | C30 H51 N O6 S | P 1 21 1 | 10.2484; 7.5897; 19.3681 90; 105.323; 90 | 1452.94 | Noponen, Virpi; Nonappa,; Lahtinen, Manu; Valkonen, Arto; Salo, Hannu; Kolehmainen, Erkki; Sievänen, Elina Bile acid–amino acid ester conjugates: gelation, structural properties, and thermoreversible solid to solid phase transition Soft Matter, 2010, 6, 3789 |
| 1515936 | CIF | C27 H22 N2 O3 | C 1 2/c 1 | 18.473; 14.611; 8.4322 90; 103.972; 90 | 2208.6 | Xu, Yun-Xiang; Wang, Gui-Tao; Zhao, Xin; Jiang, Xi-Kui; Li, Zhan-Ting Controllable self-assemblies of micro/nano-tubes and vesicles from arylamides and their applications as templates to fabricate Pt micro/nano-tubes and hollow Pt nanospheres Soft Matter, 2010, 6, 1246 |
| 1515937 | CIF | C17 H18 N2 O5 | P 1 21 1 | 9.872; 4.921; 16.859 90; 96.518; 90 | 813.7 | Adams, Dave J.; Morris, Kyle; Chen, Lin; Serpell, Louise C.; Bacsa, John; Day, Graeme M. The delicate balance between gelation and crystallisation: structural and computational investigations Soft Matter, 2010, 6, 4144 |
| 1515938 | CIF | C17 H18 N2 O5 | P 21 21 21 | 9.917; 11.1123; 28.247 90; 90; 90 | 3112.8 | Adams, Dave J.; Morris, Kyle; Chen, Lin; Serpell, Louise C.; Bacsa, John; Day, Graeme M. The delicate balance between gelation and crystallisation: structural and computational investigations Soft Matter, 2010, 6, 4144 |
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