Crystallography Open Database
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COD ID  |
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Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1515288 | CIF | C48 H68 B Cl3 Mg2 O6 | P 1 21/c 1 | 16.4151; 16.5787; 18.5617 90; 109.364; 90 | 4765.6 | Muldoon, John; Bucur, Claudiu B.; Oliver, Allen G.; Sugimoto, Tsuyoshi; Matsui, Masaki; Kim, Hee Soo; Allred, Gary D.; Zajicek, Jaroslav; Kotani, Yukinari Electrolyte roadblocks to a magnesium rechargeable battery Energy & Environmental Science, 2012, 5, 5941 |
| 1515376 | CIF | F24 Na6 Sc6 | P 31 | 12.9659; 12.9659; 9.2692 90; 90; 120 | 1349.52 | Ai, Yu; Tu, Datao; Zheng, Wei; Liu, Yongsheng; Kong, Jintao; Hu, Ping; Chen, Zhuo; Huang, Mingdong; Chen, Xueyuan Lanthanide-doped NaScF4 nanoprobes: crystal structure, optical spectroscopy and biodetection. Nanoscale, 2013, 5, 6430-6438 |
| 1515377 | CIF | C70 H108 N12 O20 S6 | P 1 21 1 | 12.181; 16.841; 20.805 90; 102.322; 90 | 4169.6 | Lisbjerg, Micke; Jessen, Bo M.; Rasmussen, Brian; Nielsen, Bjarne E.; Madsen, Anders Ø.; Pittelkow, Michael Discovery of a cyclic 6 + 6 hexamer of d-biotin and formaldehyde Chemical Science, 2014, 5, 2647 |
| 1515378 | CIF | C70 H114 I N12 Na O23 S6 | P 1 21 1 | 12.468; 16.713; 21.06 90; 103.28; 90 | 4271 | Lisbjerg, Micke; Jessen, Bo M.; Rasmussen, Brian; Nielsen, Bjarne E.; Madsen, Anders Ø.; Pittelkow, Michael Discovery of a cyclic 6 + 6 hexamer of d-biotin and formaldehyde Chemical Science, 2014, 5, 2647 |
| 1515379 | CIF | C33 H75 Cl N4 Si3 Th | P 1 21/n 1 | 13.004; 15.655; 20.436 90; 90.515; 90 | 4160.1 | Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls Chemical Science, 2014, 5, 2489 |
| 1515380 | CIF | C33 H74 N4 Si3 U | P 1 21/n 1 | 9.347; 22.333; 18.92 90; 92.508; 90 | 3945.7 | Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls Chemical Science, 2014, 5, 2489 |
| 1515381 | CIF | C33 H74 N4 Si3 Th | P 1 21/n 1 | 9.44392; 22.3863; 18.8042 90; 92.5386; 90 | 3971.58 | Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls Chemical Science, 2014, 5, 2489 |
| 1515382 | CIF | C40 H82 N4 Si3 Th | P -1 | 18.7387; 24.4559; 24.9335 60.713; 89.936; 69.909 | 9163 | Gardner, Benedict M.; Cleaves, Peter A.; Kefalidis, Christos E.; Fang, Jian; Maron, Laurent; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. The role of 5f-orbital participation in unexpected inversion of the σ-bond metathesis reactivity trend of triamidoamine thorium(iv) and uranium(iv) alkyls Chemical Science, 2014, 5, 2489 |
| 1515400 | CIF | C51 H50 B Ca F15 N2 O | P 1 21/n 1 | 12.5666; 19.7682; 20.4056 90; 107.382; 90 | 4837.65 | Anker, Mathew D.; Arrowsmith, Merle; Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.; Weetman, Catherine Selective reduction of CO2 to a methanol equivalent by B(C6F5)3-activated alkaline earth catalysis Chemical Science, 2014, 5, 2826 |
| 1515401 | CIF | C56.8 H50.6 B F15 Mg N2 O4 | C 1 2/c 1 | 25.258; 12.873; 34.507 90; 99.746; 90 | 11057.9 | Anker, Mathew D.; Arrowsmith, Merle; Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.; Weetman, Catherine Selective reduction of CO2 to a methanol equivalent by B(C6F5)3-activated alkaline earth catalysis Chemical Science, 2014, 5, 2826 |
| 1515402 | CIF | C52 H58 N4 O8 S4 | P -1 | 9.371; 9.447; 27.755 84.533; 83.63; 88.365 | 2430.4 | Wu, Guanglu; Thomas, Joice; Smet, Mario; Wang, Zhiqiang; Zhang, Xi Controlling the self-assembly of cationic bolaamphiphiles: hydrotropic counteranions determine aggregated structures Chemical Science, 2014, 5, 3267 |
| 1515403 | CIF | C52.69 H51.38 Cl1.38 N8 O8 | P -1 | 13.5061; 13.6726; 15.5153 112.007; 103.362; 102.907 | 2427.06 | Gavette, Jesse V.; Evoniuk, Christopher J.; Zakharov, Lev N.; Carnes, Matthew E.; Haley, Michael M.; Johnson, Darren W. Exploring Anion-Induced Conformational Flexibility and Molecular Switching in a Series of Heteroaryl-Urea Receptors. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 2899-2905 |
| 1515404 | CIF | C24 H24 N4 O4 | P 1 21/n 1 | 12.6483; 6.9763; 25.125 90; 101.115; 90 | 2175.4 | Gavette, Jesse V.; Evoniuk, Christopher J.; Zakharov, Lev N.; Carnes, Matthew E.; Haley, Michael M.; Johnson, Darren W. Exploring Anion-Induced Conformational Flexibility and Molecular Switching in a Series of Heteroaryl-Urea Receptors. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 2899-2905 |
| 1515405 | CIF | C21 H28 N4 O8 | P -1 | 9.613; 10.826; 12.485 87.67; 67.81; 73.16 | 1148 | Johnston, Priscilla; Wheldale, Dylan; Braybrook, Carl; Saito, Kei Topochemical polymerization using bis-thyminyl monomers Polymer Chemistry, 2014, 5, 4375 |
| 1515406 | CIF | C28 H34 N4 O10 | P 1 21/n 1 | 9.06; 16.13; 9.92 90; 104.89; 90 | 1401 | Johnston, Priscilla; Wheldale, Dylan; Braybrook, Carl; Saito, Kei Topochemical polymerization using bis-thyminyl monomers Polymer Chemistry, 2014, 5, 4375 |
| 1515407 | CIF | C30 H38 N4 O10 | P -1 | 11.598; 13.027; 13.432 75.17; 72.07; 69.32 | 1781.5 | Johnston, Priscilla; Wheldale, Dylan; Braybrook, Carl; Saito, Kei Topochemical polymerization using bis-thyminyl monomers Polymer Chemistry, 2014, 5, 4375 |
| 1515882 | CIF | C15 H26 Sn | P 1 21/c 1 | 12.1651; 11.0065; 11.8112 90; 99.351; 90 | 1560.45 | Sindlinger, Christian P.; Wesemann, Lars Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6] Chemical Science, 2014, 5, 2739 |
| 1515883 | CIF | C52 H74 N2 Sn | P 1 21/n 1 | 13.7423; 19.1733; 18.7204 90; 105.761; 90 | 4747.1 | Sindlinger, Christian P.; Wesemann, Lars Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6] Chemical Science, 2014, 5, 2739 |
| 1515884 | CIF | C104 H154 Sn6 | P 1 21/c 1 | 15.8297; 14.7507; 43.5163 90; 97.259; 90 | 10079.6 | Sindlinger, Christian P.; Wesemann, Lars Hydrogen abstraction from organotin di- and trihydrides by N-heterocyclic carbenes: a new method for the preparation of NHC adducts to tin(ii) species and observation of an isomer of a hexastannabenzene derivative [R6Sn6] Chemical Science, 2014, 5, 2739 |
| 1515885 | CIF | C17 H19 N | P 1 21/n 1 | 12.6984; 7.5774; 15.0315 90; 102.303; 90 | 1413.13 | Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J. Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines Chemical Science, 2014, 5, 2732 |
| 1515886 | CIF | C22 H20 Br N O2 S | P -1 | 6.9028; 11.787; 25.657 89.74; 87.38; 85.551 | 2079.1 | Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J. Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines Chemical Science, 2014, 5, 2732 |
| 1515887 | CIF | C25 H22 N2 O3 | P b c a | 12.8758; 17.5058; 18.2986 90; 90; 90 | 4124.53 | Alam, Rauful; Das, Arindam; Huang, Genping; Eriksson, Lars; Himo, Fahmi; Szabó, Kálmán J. Stereoselective allylboration of imines and indoles under mild conditions. An in situ E/Z isomerization of imines by allylboroxines Chemical Science, 2014, 5, 2732 |
| 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 |
| 1515943 | CIF | C50 H62 Br2 N2 O2 | P -1 | 5.5633; 9.9288; 19.482 96.408; 94.57; 95.403 | 1060.22 | Zhang, Haichang; Neudörfl, Jörg-Martin; Tieke, Bernd 1,6-Naphthodione-based monomers and polymers Polymer Chemistry, 2014, 5, 3754 |
| 1515960 | CIF | Eu H70 Na9 O71 W10 | P -1 | 12.782; 13.109; 20.557 82.757; 74.773; 88.94 | 3296.7 | Yan, Yi; Li, Bao; Li, Wen; Li, Haolong; Wu, Lixin Controllable vesicular structure and reversal of a surfactant-encapsulated polyoxometalate complex Soft Matter, 2009, 5, 4047 |
| 1515996 | CIF | C66 H72 N12 | F 41 3 2 | 24.242; 24.242; 24.242 90; 90; 90 | 14246 | Pyzer-Knapp, Edward O.; Thompson, Hugh P. G.; Schiffmann, Florian; Jelfs, Kim E.; Chong, Samantha Y.; Little, Marc A.; Cooper, Andrew I.; Day, Graeme M. Predicted crystal energy landscapes of porous organic cages Chemical Science, 2014, 5, 2235 |
| 1516031 | CIF | C40 H31 Br3 Cu N3 O P | C 1 2/c 1 | 18.61; 17.503; 46.898 90; 98.136; 90 | 15122 | Zhou, Wen; Wang, Xiaoyong; Hu, Ming; Zhu, Chengcheng; Guo, Zijian A mitochondrion-targeting copper complex exhibits potent cytotoxicity against cisplatin-resistant tumor cells through multiple mechanisms of action Chemical Science, 2014, 5, 2761 |
| 1516033 | CIF | C25 H24 O4 | P 1 21 1 | 6.0714; 17.224; 19.62 90; 97.108; 90 | 2036 | Kanomata, Kyohei; Toda, Yasunori; Shibata, Yukihiro; Yamanaka, Masahiro; Tsuzuki, Seiji; Gridnev, Ilya D.; Terada, Masahiro Secondary stereocontrolling interactions in chiral Brønsted acid catalysis: study of a Petasis–Ferrier-type rearrangement catalyzed by chiral phosphoric acids Chemical Science, 2014, 5, 3515 |
| 1516034 | CIF | C29 H31 Cl2 N O6 S | P 1 21 1 | 11.615; 8.416; 15.096 90; 109.245; 90 | 1393.2 | Kanomata, Kyohei; Toda, Yasunori; Shibata, Yukihiro; Yamanaka, Masahiro; Tsuzuki, Seiji; Gridnev, Ilya D.; Terada, Masahiro Secondary stereocontrolling interactions in chiral Brønsted acid catalysis: study of a Petasis–Ferrier-type rearrangement catalyzed by chiral phosphoric acids Chemical Science, 2014, 5, 3515 |
| 1516107 | CIF | C19 H33 N O5 S Si | P -1 | 11.8101; 12.7217; 16.841 72.829; 75.377; 75.493 | 2296.4 | Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M. Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes Chemical Science, 2014, 5, 3046 |
| 1516108 | CIF | C20 H31 N O6 S Si | P -1 | 7.248; 12.231; 12.439 87.85; 81.98; 89.975 | 1091.2 | Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M. Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes Chemical Science, 2014, 5, 3046 |
| 1516109 | CIF | C20 H31 N O6 S Si | P 1 21/n 1 | 6.9812; 22.209; 14.9476 90; 96.282; 90 | 2303.6 | Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M. Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes Chemical Science, 2014, 5, 3046 |
| 1516150 | CIF | C23 H24 O3 S | P 21 21 21 | 6.5465; 7.844; 38.945 90; 90; 90 | 1999.9 | Ohmatsu, Kohsuke; Hara, Yoshiyuki; Ooi, Takashi In situ generation of ion-paired chiral ligands: rapid identification of the optimal ligand for palladium-catalyzed asymmetric allylation Chemical Science, 2014, 5, 3645 |
| 1516151 | CIF | C46 H46 Mg O4 | C 1 2/c 1 | 19.0981; 9.6221; 22.024 90; 109.389; 90 | 3817.7 | Wang, Yang; Liu, Bo; Wang, Xue; Zhao, Wei; Liu, Dongtao; Liu, Xinli; Cui, Dongmei Immortal ring-opening polymerization of ε-caprolactone by a neat magnesium catalyst system: an approach to obtain block and amphiphilic star polymers in situ Polymer Chemistry, 2014, 5, 4580 |
| 1516158 | CIF | C24 H10 Br2 F8 N4 | C 1 2/c 1 | 28.893; 5.2362; 17.648 90; 118.696; 90 | 2342 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516159 | CIF | C22 H8 Br2 F8 N6 | C 1 2/c 1 | 36.953; 5.2778; 11.5441 90; 90.529; 90 | 2251.4 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516160 | CIF | C24 H10 F8 I2 N4 | C 1 2/c 1 | 29.154; 5.2244; 18.283 90; 120.726; 90 | 2393.8 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516161 | CIF | C22 H8 F8 I2 N6 | C 1 2/c 1 | 28.722; 5.1901; 18.22 90; 120.623; 90 | 2337.3 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516162 | CIF | C24 H10 F8 I2 N4 | C 1 2/c 1 | 40.225; 5.8436; 25.726 90; 123.647; 90 | 5034 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516163 | CIF | C24 H10 Br2 F8 N4 | P -1 | 6.0828; 8.3133; 12.157 70.137; 84.722; 79.999 | 569.04 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516164 | CIF | C22 H8 Br2 F8 N6 | P -1 | 5.9081; 8.3193; 23.198 94.956; 93.481; 95.848 | 1127.25 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516165 | CIF | C24 H10 F8 I2 N4 | P -1 | 5.8317; 8.5364; 23.47 95.753; 96.748; 95.828 | 1146.8 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516166 | CIF | C22 H8 F8 I2 N6 | P -1 | 5.8475; 8.445; 23.132 94.99; 95.779; 96.339 | 1124 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516167 | CIF | C24 H10 F8 I2 N4 | C 1 2/c 1 | 11.097; 8.2444; 26.821 90; 91.457; 90 | 2453 | Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158 |
| 1516177 | CIF | C6 Cl4 O2 | P 1 21/n 1 | 26.01; 8.1572; 28.795 90; 113.518; 90 | 5601.9 | Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924 |
| 1516178 | CIF | C6 Cl4 O2 | P 1 21/c 1 | 6.0592; 16.3472; 8.1183 90; 94.249; 90 | 801.92 | Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924 |
| 1516179 | CIF | C16 H14 Cl4 O2 | P 1 21/n 1 | 9.1022; 13.8161; 13.3595 90; 100.202; 90 | 1653.49 | Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924 |
| 1516180 | CIF | C60 H30 Cl8 O4 | P 1 c 1 | 8.3157; 38.967; 14.2436 90; 91.718; 90 | 4613.4 | Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924 |
| 1516181 | CIF | C13 H6 Cl6 O2 S4 | P 1 21/c 1 | 17; 13.405; 17.205 90; 97.907; 90 | 3883 | Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924 |
| 1516182 | CIF | C12 H4 Cl4 O2 S4 | P 1 21/n 1 | 7.17; 16.961; 12.731 90; 97.176; 90 | 1536.1 | Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924 |
| 1516183 | CIF | C35 H80 B11 O4 S4 | P -1 | 10.587; 11.677; 12.74 63.152; 67.095; 68.555 | 1259.4 | Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924 |
| 1516184 | CIF | C19 H40 B11 S4 | P 1 21/n 1 | 9.1393; 13.3909; 12.5744 90; 109.609; 90 | 1449.6 | Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924 |
| 1516185 | CIF | C23 H22 O5 | P -1 | 12.4283; 12.4686; 12.8462 85.951; 88.997; 78.875 | 1948.4 | Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 449-451 |
| 1516186 | CIF | C22 H22 O4 | C 1 2/c 1 | 25.049; 11.3809; 14.7771 90; 117.603; 90 | 3733.2 | Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 449-451 |
| 1516187 | CIF | C22 H22 O4 | P 1 21/c 1 | 14.8162; 14.8987; 8.3482 90; 90.134; 90 | 1842.8 | Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 449-451 |
| 1516239 | CIF | C13 H11 F3 O2 | P -1 | 7.6763; 10.0446; 15.7356 81.3; 82.163; 86.148 | 1186.79 | Kohn, Benjamin L.; Rovis, Tomislav Cobaltate anion couples terminal dienes with trifluoroacetic anhydride: a direct fluoroacylation of 1,3-dienes Chemical Science, 2014, 5, 2889 |
| 1516266 | CIF | C76 H59 B F15 O7 Si U | P -1 | 13.6767; 15.7946; 16.3191 102.448; 93.042; 96.154 | 3411.96 | Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W. Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage Chemical Science, 2014, 5, 3204 |
| 1516267 | CIF | C68 H52 B F15 O7 Si U | P -1 | 12.8552; 15.7463; 16.5535 100.009; 103.592; 90.593 | 3202.79 | Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W. Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage Chemical Science, 2014, 5, 3204 |
| 1516268 | CIF | C54 H37 B F15 O6 Si U | P -1 | 12.0721; 12.2867; 17.884 89.672; 80.12; 78.024 | 2555.2 | Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W. Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage Chemical Science, 2014, 5, 3204 |
| 1516269 | CIF | C73 H48 B F15 O7 U | P 1 | 15.1204; 16.1764; 16.4479 112.966; 96.391; 115.286 | 3157 | Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W. Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage Chemical Science, 2014, 5, 3204 |
| 1516270 | CIF | C86 H82 Dy N19 O2 | P -1 | 11.6002; 15.3265; 22.3436 92.48; 95.186; 109.408 | 3720 | Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J. Spectroscopic determination of crystal field splittings in lanthanide double deckers Chemical Science, 2014, 5, 3287 |
| 1516271 | CIF | C86 H82 Er N19 O2 | P -1 | 11.5308; 15.2909; 22.27 92.524; 95.122; 109.342 | 3678.8 | Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J. Spectroscopic determination of crystal field splittings in lanthanide double deckers Chemical Science, 2014, 5, 3287 |
| 1516272 | CIF | C86 H82 Ho N19 O2 | P -1 | 11.5698; 15.3429; 22.3337 92.514; 95.132; 109.356 | 3714.1 | Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J. Spectroscopic determination of crystal field splittings in lanthanide double deckers Chemical Science, 2014, 5, 3287 |
| 1516273 | CIF | C76 H118 B2 K2 O8 | P b c a | 16.1537; 19.955; 22.8279 90; 90; 90 | 7358.5 | Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole Chemical Science, 2014, 5, 3189 |
| 1516274 | CIF | C60 H86 B2 K2 O4 | P 1 21/c 1 | 10.3128; 14.6667; 19.3119 90; 102.005; 90 | 2857.13 | Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole Chemical Science, 2014, 5, 3189 |
| 1516275 | CIF | C44 H56 B2 | P -1 | 11.337; 11.9746; 13.9071 83.312; 85.92; 88.345 | 1869.97 | Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole Chemical Science, 2014, 5, 3189 |
| 1516276 | CIF | C66 H88 B2 Cl4 Co | P -1 | 11.5296; 13.4868; 14.6512 112.337; 111.343; 95.399 | 1890 | Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole Chemical Science, 2014, 5, 3189 |
| 1516277 | CIF | C116 H134 Cl4 Fe2 O4 P4 | C 1 2/c 1 | 16.5044; 23.0305; 28.6494 90; 104.041; 90 | 10564.4 | Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science, 2014, 5, 3221 |
| 1516278 | CIF | C116 H134 As4 Cl4 Fe2 O4 | C 1 2/c 1 | 16.0862; 23.1908; 29.2063 90; 103.712; 90 | 10584.9 | Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science, 2014, 5, 3221 |
| 1516279 | CIF | C116 H133.5 Cl2 Fe2 N0.5 O4 P4 S3 | P -1 | 18.6002; 19.1311; 30.2819 89.89; 88.546; 84.899 | 10729.4 | Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science, 2014, 5, 3221 |
| 1516280 | CIF | C114 H130 Fe2 O4 P4 Se3 | P -1 | 13.6386; 16.2697; 23.7755 77.294; 86.087; 85.081 | 5120.9 | Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science, 2014, 5, 3221 |
| 1516281 | CIF | C114 H130 Fe2 O3 S2 | P -1 | 12.6885; 13.6189; 15.8914 103.957; 103.841; 103.076 | 2467.36 | Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science, 2014, 5, 3221 |
| 1516318 | CIF | C25 H16 N4 O4 | I -4 3 d | 18.0373; 18.0373; 18.0373 90; 90; 90 | 5868.3 | Beaudoin, Daniel; Maris, Thierry; Wuest, James D. Constructing monocrystalline covalent organic networks by polymerization Nature Chemistry, 2013, 5, 830-834 |
| 1516319 | CIF | C25 H16 N4 O4 | P -4 b 2 | 13.1545; 13.1545; 7.9818 90; 90; 90 | 1381.2 | Beaudoin, Daniel; Maris, Thierry; Wuest, James D. Constructing monocrystalline covalent organic networks by polymerization Nature Chemistry, 2013, 5, 830-834 |
| 1516320 | CIF | C24 H16 N4 O4 Si | P -4 b 2 | 13.421; 13.421; 8.528 90; 90; 90 | 1536.1 | Beaudoin, Daniel; Maris, Thierry; Wuest, James D. Constructing monocrystalline covalent organic networks by polymerization Nature Chemistry, 2013, 5, 830-834 |
| 1516321 | CIF | C34 H28 N4 O4 | P 42/n :2 | 15.7703; 15.7703; 7.0717 90; 90; 90 | 1758.75 | Beaudoin, Daniel; Maris, Thierry; Wuest, James D. Constructing monocrystalline covalent organic networks by polymerization Nature Chemistry, 2013, 5, 830-834 |
| 1516327 | CIF | C47 H76 P2 Pd Si | P 1 21/c 1 | 16.1665; 10.3002; 27.3994 90; 102.802; 90 | 4449.1 | Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science, 2014, 5, 3859 |
| 1516328 | CIF | C47 H76 P2 Pd Si | P 1 21/n 1 | 14.8954; 18.9114; 16.6032 90; 106.453; 90 | 4485.5 | Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science, 2014, 5, 3859 |
| 1516329 | CIF | C43 H64 O2 P2 Pd Si | P 1 21/n 1 | 12.6994; 25.26; 13.3608 90; 105.432; 90 | 4131.4 | Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science, 2014, 5, 3859 |
| 1516330 | CIF | C39 H60 P2 Pd Si | P 1 21/c 1 | 9.374; 17.3855; 23.3068 90; 101.572; 90 | 3721.1 | Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science, 2014, 5, 3859 |
| 1516331 | CIF | C44 H71 Al O2 P2 Pd Si | P 1 21/c 1 | 10.632; 23.5987; 19.2983 90; 105.726; 90 | 4660.7 | Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science, 2014, 5, 3859 |
| 1516332 | CIF | C38 H55 F3 O3 P2 Pd S Si | P b c a | 23.517; 21.766; 14.71 90; 90; 90 | 7530 | Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science, 2014, 5, 3859 |
| 1516333 | CIF | C39 H60 P2 Pd Si | P 1 21/c 1 | 12.9946; 14.2318; 20.8681 90; 100.188; 90 | 3798.4 | Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science, 2014, 5, 3859 |
| 1516463 | CIF | C140 H116 N12 O15 S20 Zn3 | P -1 | 10.7122; 16.4862; 19.402 101.781; 102.522; 97.189 | 3222.6 | Bill, Nathan L.; Ishida, Masatoshi; Kawashima, Yuki; Ohkubo, Kei; Sung, Young Mo; Lynch, Vincent M.; Lim, Jong Min; Kim, Dongho; Sessler, Jonathan L.; Fukuzumi, Shunichi Long-lived charge-separated states produced in supramolecular complexes between anionic and cationic porphyrins Chemical Science, 2014, 5, 3888 |
| 1516465 | CIF | C65 H71 Cl4 N34 O29 Zn | P -1 | 17.6178; 18.0031; 18.3649 88.054; 64.192; 73.825 | 5010.6 | Xiao, Xin; Sun, Nana; Qi, Dongdong; Jiang, Jianzhuang Unprecedented Cucurbituril-Based Ternary Host-Guest Supramolecular Polymers Mediated through Included Alkyl Chains Polymer Chemistry, 2014, 5, 5211-5217 |
| 1516466 | CIF | C134 H142 Cl20 N68 O89 Zn4 | P 1 2/n 1 | 23.2417; 17.5255; 30.5983 90; 108.234; 90 | 11837.5 | Xiao, Xin; Sun, Nana; Qi, Dongdong; Jiang, Jianzhuang Unprecedented Cucurbituril-Based Ternary Host-Guest Supramolecular Polymers Mediated through Included Alkyl Chains Polymer Chemistry, 2014, 5, 5211-5217 |
| 1516468 | CIF | C36 H44 K N4 O11.5 | P -1 | 11.7592; 12.747; 13.3933 98.948; 100.21; 97.418 | 1926.2 | Li, Chengjie; Ulrich, Markus; Liu, Xiujun; Wurst, Klaus; Müller, Thomas; Kräutler, Bernhard Blue transition metal complexes of a natural bilin-type chlorophyll catabolite Chemical Science, 2014, 5, 3388 |
| 1516469 | CIF | C22 H34 N4 O4 Pd S | P 21 21 21 | 9.374; 14.5468; 19.7294 90; 90; 90 | 2690.33 | Poveda, Ana; Alonso, Inés; Fernández-Ibáñez, M. Ángeles Experimental and computational studies on the mechanism of the Pd-catalyzed C(sp3)‒H γ-arylation of amino acid derivatives assisted by the 2-pyridylsulfonyl group Chemical Science, 2014, 5, 3873 |
| 1516502 | CIF | C12.5 H17.5 Cl2 N2.5 O3 Ru S3 | P 1 n 1 | 11.7724; 13.4968; 12.2285 90; 110.968; 90 | 1814.32 | Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science, 2014, 5, 3883 |
| 1516503 | CIF | C13 H18 Cl2 N2 O7 Ru S3 | P 1 21/c 1 | 16.4668; 19.6645; 12.6551 90; 106.281; 90 | 3933.53 | Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science, 2014, 5, 3883 |
| 1516504 | CIF | C27 H22 F12 N6 O3 P2 Ru | P 1 21/c 1 | 14.059; 14.2401; 15.4559 90; 91.983; 90 | 3092.44 | Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science, 2014, 5, 3883 |
| 1516505 | CIF | C27 H22 Cl2 F6 N6 O2 P Ru | P 1 21/c 1 | 13.5677; 14.3521; 15.4809 90; 95.869; 90 | 2998.7 | Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science, 2014, 5, 3883 |
| 1516506 | CIF | C28 H24 Cl2 F6 N6 O3 P Ru | P b c n | 14.1173; 15.5837; 28.1669 90; 90; 90 | 6196.71 | Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science, 2014, 5, 3883 |
| 1516507 | CIF | C6 H10 Co La N6 O5 | P 63/m | 7.4597; 7.4597; 14.293 90; 90; 120 | 688.8 | Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409 |
| 1516508 | CIF | C6 H8 Fe K La N6 O4 | P 63/m | 7.3829; 7.3829; 13.871 90; 90; 120 | 654.78 | Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409 |
| 1516509 | CIF | C6 Fe K La N6 | P -3 1 c | 7.1852; 7.1852; 12.238 90; 90; 120 | 547.2 | Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409 |
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