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 |
| 1516510 | CIF | C6 H9 Co N6 O4.5 Pr | C m c m | 7.431; 12.815; 14.298 90; 90; 90 | 1362 | 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 |
| 1516511 | CIF | C6 H9 Fe N6 O4.5 Pr | C m c m | 7.523; 13.117; 14.476 90; 90; 90 | 1428 | 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 |
| 1516512 | CIF | C6 H8 Co N6 O4 Sm | C m c m | 7.375; 12.742; 13.653 90; 90; 90 | 1283 | 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 |
| 1516513 | CIF | C6 H8 Co Eu N6 O4 | C m c m | 7.3394; 12.75; 13.617 90; 90; 90 | 1274.2 | 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 |
| 1516514 | CIF | C6 H6 Fe Lu N6 Na O3 | C m c m | 7.242; 12.578; 13.361 90; 90; 90 | 1217.1 | 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 |
| 1516515 | CIF | C6 H8 Fe La Li N6 O4 | P 63/m | 7.2338; 7.2338; 14.2923 90; 90; 120 | 647.69 | 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 |
| 1516516 | CIF | C6 H6 Fe Li Lu N6 O3 | C m c m | 7.2309; 12.5358; 13.2519 90; 90; 90 | 1201.2 | 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 |
| 1516530 | CIF | C39 H55 F N3 Nb | P -1 | 10.795; 12.323; 13.68 79.363; 87.377; 88.428 | 1786.3 | Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science, 2014, 5, 2517 |
| 1516531 | CIF | C39 H53 F2 N3 Nb | P -1 | 10.8194; 12.3148; 13.7249 79.695; 87.396; 88.376 | 1797 | Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science, 2014, 5, 2517 |
| 1516532 | CIF | C39 H54 F2 N3 Nb | P -1 | 10.9151; 12.301; 13.7072 79.714; 87.243; 88.804 | 1808.6 | Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science, 2014, 5, 2517 |
| 1516533 | CIF | C39 H52 F4 N3 Nb | P 1 21/c 1 | 12.7898; 11.5223; 24.9612 90; 91.217; 90 | 3677.7 | Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science, 2014, 5, 2517 |
| 1516534 | CIF | C30 H40 Cl2 Fe2 N6 O18 | P -1 | 11.473; 12.9171; 14.4931 113.07; 100.094; 90.982 | 1936.74 | Kodera, Masahito; Tsuji, Tomokazu; Yasunaga, Tomohiro; Kawahara, Yuka; Hirano, Tomoya; Hitomi, Yutaka; Nomura, Takashi; Ogura, Takashi; Kobayashi, Yoshio; Sajith, P. K.; Shiota, Yoshihito; Yoshizawa, Kazunari Roles of carboxylate donors in O‒O bond scission of peroxodi-iron(iii) to high-spin oxodi-iron(iv) with a new carboxylate-containing dinucleating ligand Chemical Science, 2014, 5, 2282 |
| 1516535 | CIF | C32 H38 F6 Fe2 N6 O15 S2 | P -1 | 11.5827; 13.4954; 14.5372 114.729; 99.954; 90.485 | 2024.6 | Kodera, Masahito; Tsuji, Tomokazu; Yasunaga, Tomohiro; Kawahara, Yuka; Hirano, Tomoya; Hitomi, Yutaka; Nomura, Takashi; Ogura, Takashi; Kobayashi, Yoshio; Sajith, P. K.; Shiota, Yoshihito; Yoshizawa, Kazunari Roles of carboxylate donors in O–O bond scission of peroxodi-iron(iii) to high-spin oxodi-iron(iv) with a new carboxylate-containing dinucleating ligand Chemical Science, 2014, 5, 2282 |
| 1516536 | CIF | C236 H212 N20 O66 S4 Zn16 | P b a n :2 | 20.78; 34.908; 14.4254 90; 90; 90 | 10464 | Mossine, Andrew V.; Mayhan, Collin M.; Fowler, Drew A.; Teat, Simon J.; Deakyne, Carol A.; Atwood, Jerry L. Zinc-seamed pyrogallol[4]arene dimers as structural components in a two-dimensional MOF Chemical Science, 2014, 5, 2297 |
| 1516537 | CIF | C40 H60 Cr4 P4 | I -4 | 11.9954; 11.9954; 13.9537 90; 90; 90 | 2007.79 | Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A. Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide Chemical Science, 2014, 5, 2443 |
| 1516538 | CIF | C30 H45 As2 Cr3 | P b c a | 15.3898; 18.4053; 21.8004 90; 90; 90 | 6175.05 | Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A. Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide Chemical Science, 2014, 5, 2443 |
| 1516539 | CIF | C18 H24 N3 O6 P Ru | P 1 21/n 1 | 14.595; 9.371; 15.859 90; 114.51; 90 | 1973.6 | Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science, 2014, 5, 2536 |
| 1516540 | CIF | C21 H31 N4 O5 P Ru | P 1 21/c 1 | 11.58624; 15.39855; 13.23391 90; 98.3744; 90 | 2335.9 | Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science, 2014, 5, 2536 |
| 1516541 | CIF | C50 H68 N8 O14 P2 Ru2 | P -1 | 9.8881; 12.5811; 12.6829 72.028; 67.58; 67.069 | 1319.4 | Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science, 2014, 5, 2536 |
| 1516542 | CIF | C50 H62 N8 O11 P2 Ru2 | P -1 | 13.7555; 14.6826; 16.8467 70.736; 76.491; 64.286 | 2877.47 | Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science, 2014, 5, 2536 |
| 1516543 | CIF | C19 H28 Cl Ir N2 | P 1 21/c 1 | 14.111; 17.412; 15.429 90; 90.833; 90 | 3790.5 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516544 | CIF | C18 H25 Cl Ir N S | P 1 21/n 1 | 7.6461; 8.621; 27.688 90; 92.184; 90 | 1823.8 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516545 | CIF | C24 H29 Cl3 Ir N S | P 1 21/c 1 | 10.73; 14.462; 16.791 90; 104.557; 90 | 2521.9 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516546 | CIF | C22 H29 Cl Ir N | P 1 21/n 1 | 12.207; 25.172; 13.887 90; 108.18; 90 | 4054 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516547 | CIF | C20 H27 Cl Ir N | P 1 21/c 1 | 8.1332; 27.444; 17.333 90; 95.18; 90 | 3853.1 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516548 | CIF | C18 H25 Cl N Rh S | P 1 21/n 1 | 7.5951; 8.5873; 28.051 90; 92.441; 90 | 1827.9 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516549 | CIF | C24 H29 Cl3 N Rh S | P 1 21/c 1 | 10.631; 14.413; 16.681 90; 104.834; 90 | 2470.8 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516550 | CIF | C22 H29 Cl N Rh | P 1 21/n 1 | 12.211; 25.326; 13.879 90; 108.751; 90 | 4064.4 | Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340 |
| 1516551 | CIF | C31 H40 B2 F8 Fe N6 O5 | P -1 | 11.904; 12.224; 13.994 107.153; 110.035; 103.564 | 1695.5 | Jeon, Ie-Rang; Park, Jesse G.; Haney, Chad R.; Harris, T. David Spin crossover iron(ii) complexes as PARACEST MRI thermometers Chemical Science, 2014, 5, 2461 |
| 1516552 | CIF | C69.8 H92.54 B2 Cl8 F3.27 Ir N P2 | P 1 21/c 1 | 13.2199; 34.9437; 18.4595 90; 105.914; 90 | 8200.57 | Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A. Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation Chemical Science, 2014, 5, 2546 |
| 1516553 | CIF | C112.5 H163 B2 F25 Ir2 P4 | P 21 2 21 | 16.435; 17.3; 20.951 90; 90; 90 | 5957 | Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A. Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation Chemical Science, 2014, 5, 2546 |
| 1516554 | CIF | C70 H118 B4 Cl8 Ir N3 P2 | P -1 | 12.7377; 12.8491; 25.1406 99.5231; 98.255; 95.4001 | 3986.57 | Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A. Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation Chemical Science, 2014, 5, 2546 |
| 1516555 | CIF | C15 H23 B Mn O3 P | P 63/m | 16.5774; 16.5774; 10.5446 90; 90; 120 | 2509.54 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516556 | CIF | C18 H24 B Mn N2 O2 | P 1 21/c 1 | 24.302; 7.8695; 21.291 90; 115.979; 90 | 3660.4 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516557 | CIF | C18 H24 B Mn N2 O2 | P n a 21 | 21.1662; 7.9276; 21.8218 90; 90; 90 | 3661.6 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516558 | CIF | C18 H23 B Mn N O2 | C 1 2/c 1 | 24.5671; 8.1978; 18.4064 90; 111.169; 90 | 3456.8 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516559 | CIF | C16 H22 B Mn N2 O2 | P 1 21/c 1 | 14.4606; 12.5027; 18.2085 90; 93.815; 90 | 3284.7 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516560 | CIF | C76 H100 B4 Mn4 N8 O8 | P 1 21/c 1 | 15.2676; 8.5852; 15.8554 90; 113.848; 90 | 1900.81 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene–carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516561 | CIF | C26 H32 B Mn N2 O3 | P n m a | 13.024; 9.225; 19.975 90; 90; 90 | 2400 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516562 | CIF | C15 H29 B N2 | P b c a | 14.3661; 12.0848; 18.962 90; 90; 90 | 3292 | Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene–carbonyl coupling reactions Chemical Science, 2014, 5, 2271 |
| 1516563 | CIF | C14 H12 F N O2 | P 1 21/c 1 | 17.7553; 4.9562; 13.1145 90; 95.52; 90 | 1148.71 | Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 2422-2427 |
| 1516564 | CIF | C20 H15 F5 N2 O3 | R -3 :H | 24.8585; 24.8585; 16.8633 90; 90; 120 | 9024.5 | Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 2422-2427 |
| 1516565 | CIF | C52 H70 N O4 P | P 21 21 21 | 13.3371; 19.9237; 34.7236 90; 90; 90 | 9226.9 | Zeng, Bi-Shun; Yu, Xinyi; Siu, Paul W.; Scheidt, Karl A. Catalytic enantioselective synthesis of 2-aryl-chromenes Chemical Science, 2014, 5, 2277 |
| 1516566 | CIF | C60 H69 B Cl2 F4 N O4 P Pd | P 21 21 21 | 12.2225; 20.8872; 21.6966 90; 90; 90 | 5539.01 | Zeng, Bi-Shun; Yu, Xinyi; Siu, Paul W.; Scheidt, Karl A. Catalytic enantioselective synthesis of 2-aryl-chromenes Chemical Science, 2014, 5, 2277 |
| 1516567 | CIF | C22 H18 N4 O12 Zn2 | P b a n | 16.2647; 14.5206; 9.6475 90; 90; 90 | 2278.48 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516568 | CIF | C22 H18 N4 O12 Zn2 | I 4/m c m | 15.25553; 15.25553; 19.3129 90; 90; 90 | 4494.71 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516569 | CIF | C22 H18 N4 O12 Zn2 | P 4/m m m | 10.94325; 10.94325; 9.67577 90; 90; 90 | 1158.72 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516570 | CIF | C22 H18 N4 O12 Zn2 | P 4/m m m | 10.90313; 10.90313; 9.649 90; 90; 90 | 1147.06 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516571 | CIF | C34 H48 N6 O12 Zn2 | I 4/m c m | 15.0609; 15.0609; 19.2433 90; 90; 90 | 4365 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516572 | CIF | C30 H24 N2 O8 Zn2 | P 4/m b m | 15.4195; 15.4195; 9.6416 90; 90; 90 | 2292.4 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516573 | CIF | C22 H18 Br2 N2 O8 Zn2 | P b a n | 16.3684; 14.4237; 9.6406 90; 90; 90 | 2276.08 | Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392 |
| 1516588 | CIF | C47 H73 N Si Th | P b c a | 10.4251; 20.765; 44.289 90; 90; 90 | 9587.6 | Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D. Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study Chemical Science, 2014, 5, 3165 |
| 1516589 | CIF | C53 H75 N Si Th | P 1 21/c 1 | 16.578; 16.572; 17.515 90; 97.936; 90 | 4765.8 | Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D. Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study Chemical Science, 2014, 5, 3165 |
| 1516590 | CIF | C54 H87 N3 Th | P -1 | 10.436; 15.509; 20.314 92.787; 92.25; 109.072 | 3098.4 | Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D. Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study Chemical Science, 2014, 5, 3165 |
| 1516591 | CIF | C50 H62 Cl2 N8 O6 Zn2 | P -1 | 13.4923; 13.5958; 15.0327 108.107; 104.82; 90.868 | 2520.35 | Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide Polymer Chemistry, 2014, 5, 4875 |
| 1516592 | CIF | C118 H116 Co4 N16 O13 | P -1 | 11.7828; 14.8129; 17.4408 94.041; 107.638; 95.432 | 2872.13 | Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide Polymer Chemistry, 2014, 5, 4875 |
| 1516593 | CIF | C50 H62 Cl2 N8 Ni2 O6 | P -1 | 12.0189; 14.7702; 14.7768 107.972; 96.642; 95.331 | 2455.4 | Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide Polymer Chemistry, 2014, 5, 4875 |
| 1516594 | CIF | C26 H28 N4 O | C 1 2/c 1 | 30.8673; 14.8514; 10.3727 90; 94.543; 90 | 4740.14 | Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide Polymer Chemistry, 2014, 5, 4875 |
| 1516597 | CIF | C30 H25 Br N2 O3 S | P -1 | 10.8564; 14.3921; 18.5751 77.707; 84.454; 69.815 | 2660.74 | Li, Long; Shu, Chao; Zhou, Bo; Yu, Yong-Fei; Xiao, Xin-Yu; Ye, Long-Wu Generation of gold carbenes in water: efficient intermolecular trapping of the α-oxo gold carbenoids by indoles and anilines Chemical Science, 2014, 5, 4057 |
| 1516598 | CIF | C29 H27 Br N2 O3 S | P 1 21/n 1 | 12.621; 9.6352; 21.5566 90; 94.967; 90 | 2611.6 | Li, Long; Shu, Chao; Zhou, Bo; Yu, Yong-Fei; Xiao, Xin-Yu; Ye, Long-Wu Generation of gold carbenes in water: efficient intermolecular trapping of the α-oxo gold carbenoids by indoles and anilines Chemical Science, 2014, 5, 4057 |
| 1516599 | CIF | C24 H72 Cl2 In2 N4 Si8 | P -1 | 8.9952; 12.0644; 23.969 80.621; 83.006; 66.929 | 2356.3 | Yamashita, Yasuhiro; Saito, Yuki; Imaizumi, Takaki; Kobayashi, Shū A Lewis acid/metal amide hybrid as an efficient catalyst for carbon‒carbon bond formation Chem. Sci., 2014, 5, 3958 |
| 1516666 | CIF | C5 I O5 Re | C m c m | 7.6549; 11.1028; 10.9893 90; 90; 90 | 933.99 | Hernández, José G.; Butler, Ian S.; Friščić, Tomislav Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions Chemical Science, 2014, 5, 3576 |
| 1516667 | CIF | C5 Br Mn O5 | P n m a | 11.7723; 11.5071; 6.1089 90; 90; 90 | 827.54 | Hernández, José G.; Butler, Ian S.; Friščić, Tomislav Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions Chemical Science, 2014, 5, 3576 |
| 1516668 | CIF | C28 H19 N5 O6 Re2 | P 1 21/n 1 | 12.6739; 11.2202; 19.9289 90; 104.719; 90 | 2741 | Hernández, José G.; Butler, Ian S.; Friščić, Tomislav Multi-step and multi-component organometallic synthesis in one pot using orthogonal mechanochemical reactions Chemical Science, 2014, 5, 3576 |
| 1516669 | CIF | C40 H50 S Si2 | P -1 | 8.3989; 12.4017; 17.7936 88.626; 88.89; 81.912 | 1834.2 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516670 | CIF | C42 H50 S2 Si2 | P -1 | 7.4177; 14.5332; 18.922 73.889; 84.135; 78.229 | 1916.3 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516671 | CIF | C34 H38 S Si2 | P -1 | 7.0866; 16.2124; 26.849 85.812; 84.502; 77.978 | 2998.7 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516672 | CIF | C44 H50 S3 Si2 | P -1 | 7.5217; 14.0563; 20.336 73.188; 81.718; 82.685 | 2028.4 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516673 | CIF | C18 H8 O2 S | P c a 21 | 15.913; 11.398; 6.921 90; 90; 90 | 1255.3 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516674 | CIF | C20 H8 O2 S2 | P 1 21/c 1 | 12.983; 3.9148; 14.969 90; 111.93; 90 | 705.8 | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials Chemical Science, 2014, 5, 3627 |
| 1516675 | CIF | C28 H33 Fe N4 O3 S | P 1 21/c 1 | 27.927; 8.0895; 38.227 90; 98.822; 90 | 8534 | Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y. Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes Chemical Science, 2014, 5, 3795 |
| 1516676 | CIF | C31 H39 Fe N4 O2 S | P 1 21/c 1 | 16.745; 8.1442; 22.278 90; 93.72; 90 | 3031.8 | Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y. Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes Chemical Science, 2014, 5, 3795 |
| 1516677 | CIF | C27 H30 Cl Fe N4 O2 S | P 1 21/n 1 | 12.028; 14.71; 16.167 90; 104.944; 90 | 2763.7 | Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y. Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes Chemical Science, 2014, 5, 3795 |
| 1516678 | CIF | C27 H30 Fe N5 O4 S | P 1 21/c 1 | 15.596; 7.9152; 23.348 90; 107.772; 90 | 2744.7 | Pulukkody, Randara; Kyran, Samuel J.; Drummond, Michael J.; Hsieh, Chung-Hung; Darensbourg, Donald J.; Darensbourg, Marcetta Y. Hammett correlations as test of mechanism of CO-induced disulfide elimination from dinitrosyl iron complexes Chemical Science, 2014, 5, 3795 |
| 1516679 | CIF | C70 H98 Mg O13 Zn2 | P 43 21 2 | 12.1808; 12.1808; 44.474 90; 90; 90 | 6598.7 | Bluemke, Tobias D.; Clegg, William; García-Alvarez, Pablo; Kennedy, Alan R.; Koszinowski, Konrad; McCall, Matthew D.; Russo, Luca; Hevia, Eva Structural and reactivity insights in Mg–Zn hybrid chemistry: Zn–I exchange and Pd-catalysed cross-coupling applications of aromatic substrates Chemical Science, 2014, 5, 3552 |
| 1516680 | CIF | C34 H48 Cl I Mg N2 O5 Zn | P 1 21/c 1 | 16.1212; 9.5045; 24.1563 90; 98.132; 90 | 3664.1 | Bluemke, Tobias D.; Clegg, William; García-Alvarez, Pablo; Kennedy, Alan R.; Koszinowski, Konrad; McCall, Matthew D.; Russo, Luca; Hevia, Eva Structural and reactivity insights in Mg‒Zn hybrid chemistry: Zn‒I exchange and Pd-catalysed cross-coupling applications of aromatic substrates Chemical Science, 2014, 5, 3552 |
| 1516681 | CIF | C91.81 H109.81 Cl6.44 Cu F N4 O10 | P -1 | 17.7109; 28.5979; 31.0744 67.271; 79.167; 84.672 | 14254.5 | Brugnara, Andrea; Topić, Filip; Rissanen, Kari; Lande, Aurélien de la; Colasson, Benoit; Reinaud, Olivia Selective recognition of fluoride anion in water by a copper(ii) center embedded in a hydrophobic cavity Chemical Science, 2014, 5, 3897 |
| 1516716 | CIF | C68 H44 Ir2 N8 O9 Y | P -1 | 9.059; 15.197; 23.751 73.595; 88.406; 81.684 | 3103 | Li, Lina; Zhang, Shuquan; Xu, Liangjin; Wang, Jinyun; Shi, Lin-Xi; Chen, Zhong-Ning; Hong, Maochun; Luo, Junhua Effective visible-light driven CO2photoreduction via a promising bifunctional iridium coordination polymer Chemical Science, 2014, 5, 3808 |
| 1516717 | CIF | C30 H24 N2 O | P 1 21/n 1 | 11.0962; 21.8; 19.774 90; 105.379; 90 | 4612 | Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule Chemical Science, 2014, 5, 3922 |
| 1516718 | CIF | C33 H28 N2 O2 | P b c a | 12.859; 15.737; 25.688 90; 90; 90 | 5198 | Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule Chemical Science, 2014, 5, 3922 |
| 1516719 | CIF | C29 H20.6667 N2 O0.3333 | P 1 21/n 1 | 19.548; 18.292; 21.819 90; 108.996; 90 | 7377 | Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule Chemical Science, 2014, 5, 3922 |
| 1516720 | CIF | C33 H28 N2 O2 | P b c a | 12.852; 15.692; 25.641 90; 90; 90 | 5171 | Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule Chemical Science, 2014, 5, 3922 |
| 1516768 | CIF | C40 H32 Cl F12 N5 S4 | P -1 | 8.0301; 16.9861; 17.595 64.243; 80.825; 77.765 | 2106.2 | Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A. Thiosquaramides: pH switchable anion transporters Chemical Science, 2014, 5, 3617 |
| 1516769 | CIF | C34 H50 N2 O3 S | P -1 | 11.0175; 12.8086; 12.9025 91.871; 113.774; 96.73 | 1648.39 | Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A. Thiosquaramides: pH switchable anion transporters Chemical Science, 2014, 5, 3617 |
| 1516770 | CIF | C18 H18 N2 O S3 | P 1 21/n 1 | 8.0488; 11.6233; 19.2104 90; 90.883; 90 | 1796.99 | Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A. Thiosquaramides: pH switchable anion transporters Chemical Science, 2014, 5, 3617 |
| 1516771 | CIF | C36 H56 N2 O2 S4 | P 1 21/c 1 | 18.2073; 11.9379; 19.5492 90; 115.355; 90 | 3839.8 | Busschaert, Nathalie; Elmes, Robert B. P.; Czech, Dawid D.; Wu, Xin; Kirby, Isabelle L.; Peck, Evan M.; Hendzel, Kevin D.; Shaw, Scott K.; Chan, Bun; Smith, Bradley D.; Jolliffe, Katrina A.; Gale, Philip A. Thiosquaramides: pH switchable anion transporters Chemical Science, 2014, 5, 3617 |
| 1516783 | CIF | C61 H51 N7 O6 | P -1 | 9.6372; 13.2613; 20.4245 79.8271; 76.8586; 86.464 | 2501.34 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516784 | CIF | C51 H45 N5 O6 | P 1 21/n 1 | 11.64397; 24.31232; 15.4118 90; 104.526; 90 | 4223.49 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516785 | CIF | C31 H19 N3 O2 | P 1 21/c 1 | 30.3556; 5.611; 13.1495 90; 92.9605; 90 | 2236.7 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516786 | CIF | C72 H61 F12 Fe N7 O6 P2 | P -1 | 14.2809; 15.6419; 17.7181 100.41; 107.925; 94.131 | 3669.16 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516787 | CIF | C76 H67 F12 N9 O6 P2 Ru | P -1 | 14.138; 14.332; 19.077 91.222; 108.825; 93.257 | 3650 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516788 | CIF | C78 H66 F12 N12 O5 P2 Zn | P -1 | 14.38087; 14.4368; 19.8 96.8363; 107.786; 91.1601 | 3879.48 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516789 | CIF | C47 H37 N5 O4 | C 1 2/c 1 | 32.6617; 8.8705; 25.8704 90; 93.738; 90 | 7479.4 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516790 | CIF | C142 H107 Ag2 F36 Fe2 N33 O8 P6 | P -1 | 17.3266; 21.9786; 23.2172 99.59; 108.832; 107.228 | 7649.13 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516791 | CIF | C69 H50.5 Cu F18 Fe N15.5 O4 P3 | P -1 | 14.9414; 15.3956; 18.3235 94.4451; 91.636; 113.008 | 3860.05 | Veliks, Janis; Tseng, Jui-Chang; Arias, Karla I.; Weisshar, Florian; Linden, Anthony; Siegel, Jay S. Linear bilateral extended 2,2′:6′,2′′-terpyridine ligands, their coordination complexes and heterometallic supramolecular networks Chem. Sci., 2014, 5, 4317 |
| 1516792 | CIF | C34 H26 I2 N2 O8 | P -1 | 6.6274; 9.4654; 12.3549 82.12; 80.651; 79.408 | 747.1 | Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser Two-point halogen bonding between 3,6-dihalopyromellitic diimides Chem. Sci., 2014, 5, 4242 |
| 1516793 | CIF | C28 H28 Br2 N4 O8 | P 1 21/c 1 | 6.7598; 22.6656; 9.1153 90; 101.623; 90 | 1367.96 | Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser Two-point halogen bonding between 3,6-dihalopyromellitic diimides Chem. Sci., 2014, 5, 4242 |
| 1516794 | CIF | C28 H28 Cl2 N4 O8 | P 1 21/c 1 | 6.6819; 22.978; 8.8554 90; 101.576; 90 | 1331.97 | Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser Two-point halogen bonding between 3,6-dihalopyromellitic diimides Chem. Sci., 2014, 5, 4242 |
| 1516795 | CIF | C15 H13 I2 N3 O6 | P -1 | 7.2221; 9.4868; 13.2822 93.245; 102.205; 99.769 | 872.51 | Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser Two-point halogen bonding between 3,6-dihalopyromellitic diimides Chem. Sci., 2014, 5, 4242 |
| 1516796 | CIF | C10 H2 Br2 N2 O4 | P 1 21/c 1 | 7.3668; 5.4181; 12.525 90; 92.257; 90 | 499.54 | Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser Two-point halogen bonding between 3,6-dihalopyromellitic diimides Chem. Sci., 2014, 5, 4242 |
| 1516797 | CIF | C10 H2 Cl2 N2 O4 | P 1 21/c 1 | 7.1051; 5.4752; 12.252 90; 90.693; 90 | 476.59 | Cao, Dennis; Hong, Michael; Blackburn, Anthea K.; Liu, Zhichang; Holcroft, James M.; Stoddart, J. Fraser Two-point halogen bonding between 3,6-dihalopyromellitic diimides Chem. Sci., 2014, 5, 4242 |
| 1516812 | CIF | C18 H16 N2 O3 | F d d 2 | 27.454; 32.678; 6.833 90; 90; 90 | 6130 | Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D. Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies Chemical Science, 2014, 5, 3651 |
| 1516813 | CIF | C13 H14 N2 O3 | P 1 21 1 | 6.2771; 11.7706; 8.7028 90; 97.826; 90 | 637.02 | Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D. Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies Chemical Science, 2014, 5, 3651 |
| 1516814 | CIF | C18 H16 N2 O3 | P c a 21 | 28.94; 5.9109; 9.179 90; 90; 90 | 1570.2 | Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D. Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies Chemical Science, 2014, 5, 3651 |
| 1516815 | CIF | C19 H18 N2 O3 | P 1 21/c 1 | 5.504; 26.45; 11.354 90; 94.55; 90 | 1647.7 | Gould, Eoin; Walden, Daniel M.; Kasten, Kevin; Johnston, Ryne C.; Wu, Jiufeng; Slawin, Alexandra M. Z.; Mustard, Thomas J. L.; Johnston, Brittany; Davies, Tony; Ha-Yeon Cheong, Paul; Smith, Andrew D. Catalyst selective and regiodivergent O- to C- or N-carboxyl transfer of pyrazolyl carbonates: synthetic and computational studies Chemical Science, 2014, 5, 3651 |
| 1516829 | CIF | C35 H38 Cl3 N O7 | P -1 | 10.4484; 12.9132; 14.4521 105.509; 110.788; 101.371 | 1661.72 | Noor, Asif; Moratti, Stephen C.; Crowley, James D. Active-template synthesis of “click” [2]rotaxane ligands: self-assembly of mechanically interlocked metallo-supramolecular dimers, macrocycles and oligomers Chem. Sci., 2014, 5, 4283 |
| 1516830 | CIF | C72 H82 Ag2 F6 N2 O22 S2 | P -1 | 11.0298; 12.4731; 15.6946 87.5; 72.011; 67.114 | 1884.8 | Noor, Asif; Moratti, Stephen C.; Crowley, James D. Active-template synthesis of “click” [2]rotaxane ligands: self-assembly of mechanically interlocked metallo-supramolecular dimers, macrocycles and oligomers Chem. Sci., 2014, 5, 4283 |
| 1516831 | CIF | C44 H32 B2 Cl2 F8 Fe N6 | P 1 21/c 1 | 17.892; 14.886; 15.952 90; 110.371; 90 | 3983 | Noor, Asif; Moratti, Stephen C.; Crowley, James D. Active-template synthesis of “click” [2]rotaxane ligands: self-assembly of mechanically interlocked metallo-supramolecular dimers, macrocycles and oligomers Chem. Sci., 2014, 5, 4283 |
| 1516885 | CIF | C29 H49 O Si2 U | P 1 21/n 1 | 10.84; 14.869; 19.149 90; 91.19; 90 | 3085.8 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516886 | CIF | C30 H51 O Si2 U | P 1 21/n 1 | 11.789; 18.961; 14.176 90; 96.89; 90 | 3145.9 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516887 | CIF | C31 H53 O Si2 U | P 1 21/n 1 | 12.092; 19.621; 13.755 90; 96.3; 90 | 3243.8 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516888 | CIF | C48 H76.5 O Si4 U2 | P 1 21/n 1 | 22.913; 13.686; 38.185 90; 107.06; 90 | 11447 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516889 | CIF | C50 H78 O4 Si4 U2 | P b c a | 10.48; 21.616; 23.669 90; 90; 90 | 5361.9 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516890 | CIF | C54 H86 O4 Si4 U2 | C m c a | 21.741; 23.447; 10.829 90; 90; 90 | 5520.2 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516891 | CIF | C27 H43 O2 Si2 U | P 1 21/n 1 | 12.917; 13.555; 16.582 90; 100.86; 90 | 2851.3 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516892 | CIF | C53 H86 O3 Si4 U2 | P n m a | 23.33; 21.46; 10.71 90; 90; 90 | 5362.1 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516893 | CIF | C58 H86 O3 Si4 U2 | P c a 21 | 43.8503; 10.3313; 24.2758 90; 90; 90 | 10997.7 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2 by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516894 | CIF | C55 H90 O3 Si4 U2 | P 1 21/c 1 | 11.737; 18.983; 25.761 90; 95.43; 90 | 5713.9 | Tsoureas, Nikolaos; Castro, Ludovic; Kilpatrick, Alexander F. R.; Cloke, F. Geoffey N.; Maron, Laurent Controlling selectivity in the reductive activation of CO2by mixed sandwich uranium(iii) complexes Chemical Science, 2014, 5, 3777 |
| 1516974 | CIF | C98 H68 N2 O26 Zn8 | P n m a | 24.8949; 42.564; 32.7857 90; 90; 90 | 34741 | Dutta, Ananya; Wong-Foy, Antek G.; Matzger, Adam J. Coordination copolymerization of three carboxylate linkers into a pillared layer framework Chemical Science, 2014, 5, 3729 |
| 1516975 | CIF | C43 H30 N O13 Zn4 | P 1 21/c 1 | 17.1259; 32.5986; 25.1806 90; 99.471; 90 | 13866.2 | Dutta, Ananya; Wong-Foy, Antek G.; Matzger, Adam J. Coordination copolymerization of three carboxylate linkers into a pillared layer framework Chemical Science, 2014, 5, 3729 |
| 1516976 | CIF | C21 H13 F3 N3 O6 Re S | P 1 21/n 1 | 13.1254; 13.0009; 13.7872 90; 109.269; 90 | 2220.88 | Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy Chem. Sci., 2014, 5, 4434 |
| 1516977 | CIF | C41 H33 Au F6 N3 O4 P2 Re | P -1 | 9.4683; 16.4296; 26.0868 92.497; 92.66; 91.206 | 4048.77 | Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy Chem. Sci., 2014, 5, 4434 |
| 1516978 | CIF | C38 H28 Au F3 N4 O6 P Re S | P -1 | 8.9054; 9.077; 22.963 84.156; 88.572; 88.527 | 1845.48 | Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy Chem. Sci., 2014, 5, 4434 |
| 1516979 | CIF | C37 H31 Au F3 N4 O6.5 P Re S | P -1 | 13.0494; 13.4519; 22.5256 95.947; 99.847; 102.157 | 3768.28 | Fernández-Moreira, Vanesa; Marzo, Isabel; Gimeno, M. Concepción Luminescent Re(i) and Re(i)/Au(i) complexes as cooperative partners in cell imaging and cancer therapy Chem. Sci., 2014, 5, 4434 |
| 1516980 | CIF | C14 H14 N4 O4 | P -1 | 7.16538; 8.2062; 11.6136 85.818; 88.406; 82.354 | 674.9 | Appel, Wilco P. J.; Nieuwenhuizen, Marko M. L.; Lutz, Martin; de Waal, Bas F. M.; Palmans, Anja R. A.; Meijer, E. W. Supramolecular chemistry with ureido-benzoic acids Chemical Science, 2014, 5, 3735 |
| 1517024 | CIF | C37 H48 N Ni O P2 | P 1 21/c 1 | 12.292; 9.621; 28.336 90; 92.9; 90 | 3346.8 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517025 | CIF | C4 H9 Cd N6 O9 | P 1 21/c 1 | 10.6999; 9.4421; 11.2283 90; 108.935; 90 | 1073 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517026 | CIF | C34 H49 N Ni O P2 | P 1 21/c 1 | 12.4045; 9.652; 27.5625 90; 92.722; 90 | 3296.29 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517027 | CIF | C31 H51 N Ni O P2 | P 1 21/c 1 | 19.2355; 11.6533; 14.8149 90; 110.899; 90 | 3102.4 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517028 | CIF | C28 H45 N Ni P2 | P -1 | 10.5204; 11.0371; 12.559 79.346; 84.731; 71.343 | 1357 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517029 | CIF | C30 H47 N Ni O P2 | C 1 c 1 | 16.6022; 12.4707; 16.0966 90; 113.6; 90 | 3053.92 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517030 | CIF | C29 H47 N Ni P2 | P 1 21/c 1 | 15.7352; 9.8832; 18.2622 90; 94.249; 90 | 2832.22 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517031 | CIF | C30 H47 N Ni O P2 | P 1 21/c 1 | 15.5099; 9.9868; 18.6693 90; 95.552; 90 | 2878.2 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517032 | CIF | C31 H49 N Ni O P2 | P 1 21/c 1 | 12.11; 13.584; 19.335 90; 106.49; 90 | 3049.8 | Yoo, Changho; Oh, Seohee; Kim, Jin; Lee, Yunho Transmethylation of a four-coordinate nickel(i) monocarbonyl species with methyl iodide Chemical Science, 2014, 5, 3853 |
| 1517099 | CIF | C40 H50 S Si2 | C 1 2/c 1 | 18.8584; 12.3701; 15.9959 90; 104.724; 90 | 3609 | Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties Chem. Sci., 2014, 5, 4490 |
| 1517100 | CIF | C42 H50 S2 Si2 | P -1 | 7.402; 14.535; 18.955 73.693; 83.913; 77.68 | 1910 | Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties Chem. Sci., 2014, 5, 4490 |
| 1517101 | CIF | C38 H30 S2 | P -1 | 7.0732; 7.9974; 12.843 83.771; 88.008; 79.973 | 711.1 | Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties Chem. Sci., 2014, 5, 4490 |
| 1517102 | CIF | C40 H34 S2 | C 1 2/c 1 | 24.056; 16.0276; 18.3518 90; 122.105; 90 | 5993.7 | Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties Chem. Sci., 2014, 5, 4490 |
| 1517103 | CIF | C44 H50 S3 Si2 | P -1 | 7.51; 14.0747; 20.3192 73.205; 81.761; 82.646 | 2026.41 | Shi, Xueliang; Burrezo, Paula Mayorga; Lee, Sangsu; Zhang, Wenhua; Zheng, Bin; Dai, Gaole; Chang, Jingjing; López Navarrete, Juan T.; Huang, Kuo-Wei; Kim, Dongho; Casado, Juan; Chi, Chunyan Antiaromatic bisindeno-[n]thienoacenes with small singlet biradical characters: syntheses, structures and chain length dependent physical properties Chem. Sci., 2014, 5, 4490 |
| 1517165 | CIF | C38 H53 Cl9 N2 O11 | P 21 21 21 | 12.936; 17.448; 21.111 90; 90; 90 | 4764.9 | Kim, Ki Hyun; Ramadhar, Timothy R.; Beemelmanns, Christine; Cao, Shugeng; Poulsen, Michael; Currie, Cameron R.; Clardy, Jon Natalamycin A, an Ansamycin from a Termite-Associated Streptomyces sp. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 4333-4338 |
| 1517166 | CIF | C13 H16 Fe N4 O3 | P 43 21 2 | 7.9922; 7.9922; 23.1283 90; 90; 90 | 1477.33 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517167 | CIF | C15 H36 B2 Fe N2 O3 Si4 | P 1 21/n 1 | 8.8462; 17.0403; 35.7439 90; 90.227; 90 | 5388.1 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517168 | CIF | C5 Cl3 Fe Ga O5 | C 1 c 1 | 9.0504; 10.731; 11.634 90; 92.431; 90 | 1128.9 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517169 | CIF | C7 H9 Cl3 Fe Ga O4 P | P n a 21 | 12.3102; 8.7578; 13.2384 90; 90; 90 | 1427.24 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517170 | CIF | C9 H9 Cl3 Fe Ga N O4 | P 1 21/n 1 | 7.2763; 22.2271; 9.6226 90; 90.532; 90 | 1556.21 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517171 | CIF | C9 H18 Cl3 Fe Ga O3 P2 | P 1 21/c 1 | 17.867; 13.5823; 15.9356 90; 109.018; 90 | 3656.1 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517172 | CIF | C14 H18 Cl5 Fe Ga N4 O3 | P 1 21/c 1 | 8.6242; 14.4623; 17.4482 90; 98.852; 90 | 2150.3 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517173 | CIF | C13 H18 Cl3 Fe Ga N2 O3 | P n m a | 11.826; 18.0027; 9.6374 90; 90; 90 | 2051.8 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517174 | CIF | C15 H36 B2 Cl3 Fe Ga N2 O3 Si4 | P n a 21 | 28.6201; 15.3682; 7.0307 90; 90; 90 | 3092.4 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517175 | CIF | C9 H18 Br3 Fe Ga O3 P2 | P b c a | 17.8212; 16.529; 26.155 90; 90; 90 | 7704.4 | Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs Chemical Science, 2014, 5, 4099 |
| 1517188 | CIF | C314 H589 N96 Ni32 O224 S11 | P -1 | 20.5225; 39.0486; 39.0923 119.844; 91.894; 102.976 | 26087.7 | Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds Chem. Sci., 2014, 5, 4163 |
| 1517189 | CIF | C37 H35 Cl2 N12 Ni O10 | P 1 21/c 1 | 11.376; 20.675; 17.957 90; 99.139; 90 | 4170 | Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds Chem. Sci., 2014, 5, 4163 |
| 1517190 | CIF | C145 H234 N48 Ni16 O96 S8 | C 1 c 1 | 44.0087; 20.5888; 26.8381 90; 119.998; 90 | 21060.1 | Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds Chem. Sci., 2014, 5, 4163 |
| 1517191 | CIF | C161 H363 N48 Ni16 O146 S8 | P 1 21/n 1 | 20.5591; 35.0164; 39.44 90; 91.301; 90 | 28385.8 | Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds Chem. Sci., 2014, 5, 4163 |
| 1517192 | CIF | C158 H190 N48 Ni16 O60 S7 | P 41 21 2 | 31.2; 31.2; 25.3435 90; 90; 90 | 24670.4 | Pang, Jiandong; Jiang, Feilong; Yuan, Daqiang; Zheng, Jun; Wu, Mingyan; Liu, Guoliang; Su, Kongzhao; Hong, Maochun SO42−anion directed hexagonal-prismatic cages via cooperative C‒H⋯O hydrogen bonds Chem. Sci., 2014, 5, 4163 |
| 1517194 | CIF | C17 H17 N O | P 21 21 21 | 8.2349; 12.5658; 12.99 90; 90; 90 | 1344.18 | Zhao, Depeng; Fañanás-Mastral, Martín; Chang, Mu-Chieh; Otten, Edwin; Feringa, Ben L. Asymmetric synthesis of N,O-heterocycles via enantioselective iridium-catalysed intramolecular allylic amidation Chem. Sci., 2014, 5, 4216 |
| 1517195 | CIF | C16 H12 Br N O | P 1 | 6.3154; 8.1371; 14.3362 85.222; 78.52; 70.043 | 678.53 | Zhao, Depeng; Fañanás-Mastral, Martín; Chang, Mu-Chieh; Otten, Edwin; Feringa, Ben L. Asymmetric synthesis of N,O-heterocycles via enantioselective iridium-catalysed intramolecular allylic amidation Chem. Sci., 2014, 5, 4216 |
| 1517206 | CIF | C12 H11 Cl O2 | P 1 21/c 1 | 19.3677; 4.6908; 11.3487 90; 95.521; 90 | 1026.25 | Liu, Kun; Hovey, M. Todd; Scheidt, Karl A. A Cooperative N-Heterocyclic Carbene/Palladium Catalysis System. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 4026-4031 |
| 1517207 | CIF | C80 H87 Co4 N17 O20 | P -1 | 10.871; 20.7504; 21.3627 64.984; 86.763; 79.326 | 4290 | Sundberg, Jonas; Cameron, Lisa J.; Southon, Peter D.; Kepert, Cameron J.; McKenzie, Christine J. Oxygen chemisorption/desorption in a reversible single-crystal-to-single-crystal transformation Chemical Science, 2014, 5, 4017 |
| 1517208 | CIF | C80 H97 Co4 N17 O29 | P -1 | 10.1905; 21.156; 22.015 115.123; 92.484; 99.306 | 4207.2 | Sundberg, Jonas; Cameron, Lisa J.; Southon, Peter D.; Kepert, Cameron J.; McKenzie, Christine J. Oxygen chemisorption/desorption in a reversible single-crystal-to-single-crystal transformation Chemical Science, 2014, 5, 4017 |
| 1517209 | CIF | C48 H54 F6 N4 O4 Zn2 | P 21 21 21 | 12.1107; 19.736; 20.335 90; 90; 90 | 4860.4 | Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W. Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates Chemical Science, 2014, 5, 4004 |
| 1517210 | CIF | C56 H66 F6 N4 O6 Zn2 | P 1 | 10.3348; 10.8803; 13.2532 113.176; 96.805; 91.083 | 1356.84 | Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W. Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates Chemical Science, 2014, 5, 4004 |
| 1517211 | CIF | C46 H50 F6 N4 O4 Zn2 | P 1 21 1 | 11.8212; 10.6057; 18.6077 90; 97.779; 90 | 2311.4 | Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W. Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates Chemical Science, 2014, 5, 4004 |
| 1517212 | CIF | C58 H60 F6 N4 O4 Zn2 | P 21 21 21 | 13.5462; 19.2935; 20.7468 90; 90; 90 | 5422.3 | Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W. Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates Chemical Science, 2014, 5, 4004 |
| 1517220 | CIF | C6 H12 Mn0.5 N O14 P3 Zn3 | P -1 | 9.4416; 9.5014; 9.8153 107.922; 91.314; 92.35 | 836.5 | Wu, Junbiao; Tao, Chunyao; Li, Yi; Yan, Yan; Li, Jiyang; Yu, Jihong Methylviologen-templated layered bimetal phosphate: a multifunctional X-ray-induced photochromic material Chem. Sci., 2014, 5, 4237 |
| 1517239 | CIF | C40 H30 O6 | P 1 21/n 1 | 12.8251; 17.633; 13.342 90; 93.491; 90 | 3011.6 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517240 | CIF | C40 H42 O6 | P 1 21/c 1 | 6.6014; 17.3786; 13.6759 90; 97.042; 90 | 1557.11 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517241 | CIF | C40 H20 F10 O6 | P -1 | 6.816; 7.448; 16.417 79.881; 81.961; 75.475 | 790.2 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517242 | CIF | C40 H20 F10 O6 | P -1 | 6.9613; 7.1312; 17.3912 91.674; 90.029; 106.619 | 826.89 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517243 | CIF | C38 H16 F10 O4 | P 1 21/n 1 | 6.887; 31.518; 7.1384 90; 107.654; 90 | 1476.5 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517244 | CIF | C38 H16 F10 O6 | P -1 | 8.2523; 12.5862; 15.285 73.904; 86.299; 83.541 | 1514.7 | Pawle, R. H.; Haas, T. E.; Müller, P.; Thomas III, S. W. Twisting and piezochromism of phenylene-ethynylenes with aromatic interactions between side chains and main chains Chem. Sci., 2014, 5, 4184 |
| 1517255 | CIF | C29 H39 Cl5 N7 O3 P Ru | P 1 21/n 1 | 10.4643; 12.9834; 27.5941 90; 100.005; 90 | 3692 | Burgess, Samantha A.; Joslin, Evan E.; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal; Myers, William H. Hydrophenylation of ethylene using a cationic Ru(ii) catalyst: comparison to a neutral Ru(ii) catalyst Chem. Sci., 2014, 5, 4355 |
| 1517285 | CIF | C19 H18 O4 S | P 21 21 21 | 5.5066; 14.1867; 20.951 90; 90; 90 | 1636.7 | Van Hoveln, R. J.; Schmid, S. C.; Tretbar, M.; Buttke, C. T.; Schomaker, J. M. Formal asymmetric hydrobromination of styrenes via copper-catalyzed 1,3-halogen migration Chem. Sci., 2014, 5, 4763 |
| 1517286 | CIF | C19 H26 O5 S2 | P -1 | 8.5289; 10.9789; 11.4493 87.759; 72.017; 78.159 | 997.68 | Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center Chem. Sci., 2014, 5, 4774 |
| 1517287 | CIF | C18 H18 Cl4 S2 | P 1 21/c 1 | 16.8843; 7.6695; 16.974 90; 115.956; 90 | 1976.3 | Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center Chem. Sci., 2014, 5, 4774 |
| 1517288 | CIF | C25 H29 Cu2 F6 N4 O7 S3 | P -1 | 9.8541; 11.4575; 15.9521 93.504; 98.701; 114.179 | 1608.9 | Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center Chem. Sci., 2014, 5, 4774 |
| 1517289 | CIF | C25 H28 Cu2 F6 N4 O7 S3 | P -1 | 9.6497; 10.7181; 16.889 73.733; 86.706; 69.619 | 1570.31 | Esmieu, Charlène; Orio, Maylis; Torelli, Stéphane; Le Pape, Laurent; Pécaut, Jacques; Lebrun, Colette; Ménage, Stéphane N2O reduction at a dissymmetric {Cu2S}-containing mixed-valent center Chem. Sci., 2014, 5, 4774 |
| 1517290 | CIF | C43 H26 N7 O15 S4 Zn2 | P 1 21/c 1 | 8.38; 20.9662; 13.0999 90; 95.038; 90 | 2292.72 | Leong, C. F.; Chan, B.; Faust, T. B.; D'Alessandro, D. M. Controlling charge separation in a novel donor‒acceptor metal‒organic framework via redox modulation Chem. Sci., 2014, 5, 4724 |
| 1517296 | CIF | C28 H30 N4 O6 Zn | P b a 2 | 11.2987; 14.6667; 8.2144 90; 90; 90 | 1361.25 | He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks Chem. Sci., 2014, 5, 4755 |
| 1517297 | CIF | C50 H54 N8 O11 Zn2 | F d d 2 | 22.694; 29.694; 33.408 90; 90; 90 | 22513 | He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks Chem. Sci., 2014, 5, 4755 |
| 1517298 | CIF | C24 H22 N4 O4 Zn | I 41/a c d :2 | 15.2355; 15.2355; 39.1054 90; 90; 90 | 9077.2 | He, Chun-Ting; Liao, Pei-Qin; Zhou, Dong-Dong; Wang, Bao-Ying; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming Visualizing the distinctly different crystal-to-crystal structural dynamism and sorption behavior of interpenetration-direction isomeric coordination networks Chem. Sci., 2014, 5, 4755 |
| 1517350 | CIF | C12 H18 N2 O6 | P 21 21 21 | 7.8669; 10.4681; 17.696 90; 90; 90 | 1457.3 | Jia, Xiangxiang; Li, Yan; Xiao, Longqiang; Liu, Lijian Synthesis and characterization of fluorescent oligo(3,4,5-triethoxycarbonyl-2-pyrazoline) Polymer Chemistry, 2014, 5, 4781 |
| 1517355 | CIF | C26 H16 S2 | P 1 21/c 1 | 18.239; 3.8855; 25.404 90; 91.023; 90 | 1800 | Amir, Elizabeth; Murai, Masahito; Amir, Roey J.; Cowart, John S.; Chabinyc, Michael L.; Hawker, Craig J. Conjugated oligomers incorporating azulene building blocks – seven- vs. five-membered ring connectivity Chem. Sci., 2014, 5, 4483 |
| 1517356 | CIF | C26 H16 S2 | P 1 21/n 1 | 10.961; 23.617; 14.6288 90; 97.762; 90 | 3752.2 | Amir, Elizabeth; Murai, Masahito; Amir, Roey J.; Cowart, John S.; Chabinyc, Michael L.; Hawker, Craig J. Conjugated oligomers incorporating azulene building blocks ‒ seven- vs. five-membered ring connectivity Chem. Sci., 2014, 5, 4483 |
| 1517357 | CIF | C18 H17 Br O3 | P 1 21 1 | 8.4484; 6.0156; 16.494 90; 104.755; 90 | 810.6 | Abascal, Nadia C.; Lichtor, Phillip A.; Giuliano, Michael W.; Miller, Scott J. Function-Oriented Investigations of a Peptide-Based Catalyst that Mediates Enantioselective Allylic Alcohol Epoxidation. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 4504-4511 |
| 1517358 | CIF | C35 H52 Au F6 N P2 | P n a 21 | 22.231; 12.5844; 12.8929 90; 90; 90 | 3607 | Lau, Vivian M.; Gorin, Craig F.; Kanan, Matthew W. Electrostatic control of regioselectivity via ion pairing in a Au(i)-catalyzed rearrangement Chem. Sci., 2014, 5, 4975 |
| 1517359 | CIF | C20 H35 Cl P2 Pd | P n a 21 | 23.6604; 9.3856; 10.4813 90; 90; 90 | 2327.55 | Xue, Ya-Xin; Chen, Jia-Li; Jiang, Zhi-Qiang; Yu, Zhipeng; Liu, Na; Yin, Jun; Zhu, Yuan-Yuan; Wu, Zong-Quan Living polymerization of arylisocyanide initiated by the phenylethynyl palladium(ii) complex Polym. Chem., 2014, 5, 6435 |
| 1517360 | CIF | C88.72 H66 B Cl1.44 F24 Mn N2 O P4 | P -1 | 10.1892; 19.1512; 22.8693 73.339; 83.858; 89.798 | 4249 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517361 | CIF | C68 H49 Br F24 Mn N O P4 | P -1 | 13.0764; 16.0035; 17.7414 102.567; 93.99; 113.051 | 3284.5 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517362 | CIF | C61 H42 F24 Mn N O P4 | P 1 21/n 1 | 13.4167; 33.2709; 14.2193 90; 106.658; 90 | 6080.9 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517363 | CIF | C43 H37 F5 Mn N O6 P2 S | P m n 21 | 22.5699; 8.5815; 10.3862 90; 90; 90 | 2011.6 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517364 | CIF | C103 H57 B F46 Mn N O P4 | P 1 | 13.826; 14.0301; 14.8023 108.714; 109.969; 96.491 | 2474.82 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517365 | CIF | C92 H46 B Br F44 Mn N O2 P4 | P 1 21/n 1 | 20.4905; 14.9413; 30.717 90; 107.769; 90 | 8955.5 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517366 | CIF | C100 H55.5 B Br2.5 F44 Mn N O P4 | P -1 | 14.3935; 15.8738; 23.3799 73.676; 72.993; 82.991 | 4897.7 | Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris Heterolytic cleavage of H2by bifunctional manganese(i) complexes: impact of ligand dynamics, electrophilicity, and base positioning Chem. Sci., 2014, 5, 4729 |
| 1517367 | CIF | C46 H58 Cl6 N2 | P 1 21/c 1 | 13.6043; 29.34; 11.7173 90; 101.006; 90 | 4590.9 | Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character Chem. Sci., 2014, 5, 4944 |
| 1517368 | CIF | C42 H48 N2 | C 1 2/c 1 | 18.183; 17.083; 10.329 90; 97.513; 90 | 3180.9 | Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character Chem. Sci., 2014, 5, 4944 |
| 1517369 | CIF | C66 H76 N2 | C 1 2/c 1 | 25.799; 18.171; 11.441 90; 103.053; 90 | 5225 | Luo, Ding; Lee, Sangsu; Zheng, Bin; Sun, Zhe; Zeng, Wangdong; Huang, Kuo-Wei; Furukawa, Ko; Kim, Dongho; Webster, Richard D.; Wu, Jishan Indolo[2,3-b]carbazoles with tunable ground states: how Clar's aromatic sextet determines the singlet biradical character Chem. Sci., 2014, 5, 4944 |
| 1517370 | CIF | C127 H108 Cl6 N2 O4 P4 Pd3 S4 | P -1 | 17.4188; 17.5604; 22.7255 87.6505; 71.9113; 60.5328 | 5700.3 | Suzuki, Tsuyoshi; Nakagawa, Takafumi; Ohkubo, Kei; Fukuzumi, Shunichi; Matsuo, Yutaka Electronic infrared light absorption of a tri-palladium complex containing two π-expanded tetracene ligands Chem. Sci., 2014, 5, 4888 |
| 1517371 | CIF | C64 H51 Cl4 N O2 P2 Pd S2 | P -1 | 13.8975; 16.8234; 17.2132 99.9912; 112.238; 111.275 | 3238.06 | Suzuki, Tsuyoshi; Nakagawa, Takafumi; Ohkubo, Kei; Fukuzumi, Shunichi; Matsuo, Yutaka Electronic infrared light absorption of a tri-palladium complex containing two π-expanded tetracene ligands Chem. Sci., 2014, 5, 4888 |
| 1517422 | CIF | C19 H27 N7 | C 1 2/c 1 | 16.6894; 13.1912; 17.1396 90; 107.752; 90 | 3593.67 | Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S. Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles Chem. Sci., 2014, 5, 4800 |
| 1517423 | CIF | C58 H78 F12 N10 O6 P2 Ru | C 1 2/c 1 | 40.9186; 12.999; 19.2466 90; 116.184; 90 | 9186.8 | Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S. Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles Chem. Sci., 2014, 5, 4800 |
| 1517424 | CIF | C44 H50 F12 N10 O P2 Ru | P -1 | 8.5139; 13.5117; 21.1951 96.631; 94.882; 106.466 | 2304.75 | Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S. Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles Chem. Sci., 2014, 5, 4800 |
| 1517425 | CIF | C41 H45 Br F12 N12 O P2 Ru | P 1 21/n 1 | 8.5505; 44.204; 12.3222 90; 96.705; 90 | 4625.5 | Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S. Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles Chem. Sci., 2014, 5, 4800 |
| 1517426 | CIF | C58 H98 F12 N12 O9 P2 Ru | P 1 21/c 1 | 9.6046; 32.8531; 17.3497 90; 94.903; 90 | 5454.5 | Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S. Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles Chem. Sci., 2014, 5, 4800 |
| 1517442 | CIF | C99 H85 Cl3 N4 O2 Pt2 | P -1 | 12.4607; 12.792; 14.1587 67.97; 85.66; 68.671 | 1943.96 | Cheng, Gang; Kui, Steven C. F.; Ang, Wai-Hung; Ko, Man-Ying; Chow, Pui-Keong; Kwong, Chun-Lam; Kwok, Chi-Chung; Ma, Chensheng; Guan, Xiangguo; Low, Kam-Hung; Su, Shi-Jian; Che, Chi-Ming Structurally robust phosphorescent [Pt(O^N^C^N)] emitters for high performance organic light-emitting devices with power efficiency up to 126 lm W−1and external quantum efficiency over 20% Chem. Sci., 2014, 5, 4819 |
| 1517443 | CIF | C100 H120 B Dy2 N6 O3 | P -1 | 16.083; 17.739; 18.562 115.198; 105.294; 103.514 | 4243 | Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R. Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine Chem. Sci., 2014, 5, 4701 |
| 1517444 | CIF | C100 H120 B N6 O3 Tb2 | P -1 | 16.095; 17.7564; 18.5863 115.256; 105.236; 103.493 | 4256.5 | Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R. Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine Chem. Sci., 2014, 5, 4701 |
| 1517445 | CIF | C104 H128 B Gd2 N6 O4 | P -1 | 16.4717; 17.8945; 18.2112 115.277; 98.616; 102.884 | 4545.2 | Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R. Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine Chem. Sci., 2014, 5, 4701 |
| 1517446 | CIF | C110 H160 Dy2 K N8 O13 | C 1 c 1 | 22.168; 25.23; 20.706 90; 111.311; 90 | 10789 | Demir, Selvan; Nippe, Michael; Gonzalez, Miguel I.; Long, Jeffrey R. Exchange coupling and magnetic blocking in dilanthanide complexes bridged by the multi-electron redox-active ligand 2,3,5,6-tetra(2-pyridyl)pyrazine Chem. Sci., 2014, 5, 4701 |
| 1517458 | CIF | C32 H32 N2 O | P 21 21 21 | 8.9943; 12.2511; 22.3616 90; 90; 90 | 2464.03 | Hopkins, B. A.; Wolfe, J. P. Enantioselective Synthesis of Tetrahydroquinolines, Tetrahydroquinoxalines, and Tetrahydroisoquinolines via Pd-Catalyzed Alkene Carboamination Reactions. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 4840-4844 |
| 1517465 | CIF | C4.35 H Fe O3.7 | R -3 :H | 26.0349; 26.0349; 6.85076 90; 90; 120 | 4021.44 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517466 | CIF | C4.62 H Co O4.25 | R -3 :H | 25.8977; 25.8977; 6.846 90; 90; 120 | 3976.4 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517467 | CIF | C4.34 H Cu O3.68 | R -3 :H | 25.8582; 25.8582; 6.26149 90; 90; 120 | 3625.81 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517468 | CIF | C4.54 H Mn O4.07 | R -3 :H | 26.3262; 26.3262; 7.044 90; 90; 120 | 4227.9 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517469 | CIF | C4.53 H O4.07 Zn | R -3 :H | 25.914; 25.914; 6.7986 90; 90; 120 | 3953.8 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517470 | CIF | C4 H Co O3 | R -3 :H | 25.9067; 25.9067; 6.8548 90; 90; 120 | 3984.3 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517471 | CIF | C4 H Cu O3 | R -3 :H | 25.8733; 25.8733; 6.25768 90; 90; 120 | 3627.84 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517472 | CIF | C4 H Fe O3 | R -3 :H | 26.0983; 26.0983; 6.85119 90; 90; 120 | 4041.3 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517473 | CIF | C4 H Mn O3 | R -3 :H | 26.3331; 26.3331; 7.0477 90; 90; 120 | 4232.4 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517474 | CIF | C4 H O3 Zn | R -3 :H | 25.9292; 25.9292; 6.7962 90; 90; 120 | 3957.1 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517475 | CIF | C4.82 H Mg O4.65 | R -3 :H | 25.8728; 25.8728; 6.87004 90; 90; 120 | 3982.7 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517476 | CIF | C5.26 H Fe O5.53 | R -3 :H | 26.001; 26.001; 6.86071 90; 90; 120 | 4016.8 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517477 | CIF | C5.5 H Co O6.01 | R -3 :H | 25.8735; 25.8735; 6.8486 90; 90; 120 | 3970.5 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517478 | CIF | C5.29 H O5.57 Zn | R -3 :H | 25.8504; 25.8504; 6.8072 90; 90; 120 | 3939.4 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517479 | CIF | C5.14 Cu O5.27 | R -3 :H | 25.89776; 25.89776; 6.27846 90; 90; 120 | 3646.77 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517480 | CIF | C10.94 H2 Co2 O11.88 | R -3 :H | 25.994; 25.994; 6.8127 90; 90; 120 | 3986.5 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517481 | CIF | C4.77 H Fe O4.54 | R -3 :H | 26.0818; 26.0818; 6.8783 90; 90; 120 | 4052.2 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517482 | CIF | C4.62 H O4.25 Zn | R -3 :H | 25.887; 25.887; 6.821 90; 90; 120 | 3958.6 | Queen, Wendy L.; Hudson, Matthew R.; Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Lee, Jason S.; Gygi, David; Howe, Joshua D.; Lee, Kyuho; Darwish, Tamim A.; James, Michael; Peterson, Vanessa K.; Teat, Simon J.; Smit, Berend; Neaton, Jeffrey B.; Long, Jeffrey R.; Brown, Craig M. Comprehensive study of carbon dioxide adsorption in the metal‒organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn) Chem. Sci., 2014, 5, 4569 |
| 1517491 | CIF | C13 H27 N5 O2 | P b c a | 12.6187; 15.3717; 15.8322 90; 90; 90 | 3070.99 | Polenz, I.; Laue, A.; Uhrin, T.; Rüffer, T.; Lang, H.; Schmidt, F. G.; Spange, S. Thermally cleavable imine base/isocyanate adducts and oligomers suitable as initiators for radical homo- and copolymerization Polym. Chem., 2014, 5, 6678 |
| 1517492 | CIF | C15 H26 N4 O2 | P -1 | 8.1256; 8.735; 11.1764 101.997; 106.888; 90.243 | 740.71 | Polenz, I.; Laue, A.; Uhrin, T.; Rüffer, T.; Lang, H.; Schmidt, F. G.; Spange, S. Thermally cleavable imine base/isocyanate adducts and oligomers suitable as initiators for radical homo- and copolymerization Polym. Chem., 2014, 5, 6678 |
| 1517493 | CIF | C18 H19 N O2 S | P 1 21/n 1 | 5.6521; 23.6399; 11.7535 90; 92.736; 90 | 1568.65 | Bao, Hongli; Bayeh, Liela; Tambar, Uttam K. Regioselective and Diastereoselective Aminoarylation of 1,3-Dienes. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 4863-4867 |
| 1517494 | CIF | C47.5 H40 N4.5 O13.75 Zn2 | P 1 21/c 1 | 13.8166; 21.7847; 20.1414 90; 103.312; 90 | 5899.5 | Hu, Zhichao; Tan, Kui; Lustig, William P.; Wang, Hao; Zhao, Yonggang; Zheng, Chong; Banerjee, Debasis; Emge, Thomas J.; Chabal, Yves J.; Li, Jing Effective sensing of RDX via instant and selective detection of ketone vapors Chem. Sci., 2014, 5, 4873 |
| 1517495 | CIF | C40 H24 N2 O8 Zn2 | C 1 2/c 1 | 33.559; 22.171; 19.706 90; 124.022; 90 | 12152 | Hu, Zhichao; Tan, Kui; Lustig, William P.; Wang, Hao; Zhao, Yonggang; Zheng, Chong; Banerjee, Debasis; Emge, Thomas J.; Chabal, Yves J.; Li, Jing Effective sensing of RDX via instant and selective detection of ketone vapors Chem. Sci., 2014, 5, 4873 |
| 1517745 | CIF | C24 H21 P | P 1 21/c 1 | 7.6281; 29.8493; 8.037 90; 95.421; 90 | 1821.8 | Rawe, Benjamin W.; Chun, Cindy P.; Gates, Derek P. Anionic polymerisation of phosphaalkenes bearing polyaromatic chromophores: phosphine polymers showing “turn-on” emission selectively with peroxide Chem. Sci., 2014, 5, 4928 |
| 1517746 | CIF | C26 H23 P | P 1 21/n 1 | 12.054; 9.298; 18.724 90; 99.348; 90 | 2070.7 | Rawe, Benjamin W.; Chun, Cindy P.; Gates, Derek P. Anionic polymerisation of phosphaalkenes bearing polyaromatic chromophores: phosphine polymers showing “turn-on” emission selectively with peroxide Chem. Sci., 2014, 5, 4928 |
| 1517747 | CIF | C30 H25 P | C 1 2/c 1 | 19.514; 13.301; 20.028 90; 119.519; 90 | 4523.6 | Rawe, Benjamin W.; Chun, Cindy P.; Gates, Derek P. Anionic polymerisation of phosphaalkenes bearing polyaromatic chromophores: phosphine polymers showing “turn-on” emission selectively with peroxide Chem. Sci., 2014, 5, 4928 |
| 1517779 | CIF | C34 H20 O4 S4 | P -1 | 9.059; 11.3961; 15.78 68.8889; 79.0989; 67.1611 | 1398.3 | Cai, Song-Liang; Zhang, Yue-Biao; Pun, Andrew B.; He, Bo; Yang, Jinhui; Toma, Francesca M.; Sharp, Ian D.; Yaghi, Omar M.; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang; Liu, Yi Tunable electrical conductivity in oriented thin films of tetrathiafulvalene-based covalent organic framework Chem. Sci., 2014, 5, 4693 |
| 1517780 | CIF | C65 H48 N4 S4 | P 1 21 1 | 15.9142; 7.9235; 20.8037 90; 106.326; 90 | 2517.5 | Cai, Song-Liang; Zhang, Yue-Biao; Pun, Andrew B.; He, Bo; Yang, Jinhui; Toma, Francesca M.; Sharp, Ian D.; Yaghi, Omar M.; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang; Liu, Yi Tunable electrical conductivity in oriented thin films of tetrathiafulvalene-based covalent organic framework Chem. Sci., 2014, 5, 4693 |
| 1517812 | CIF | C33 H30 Cl Co N4 O7 | P -1 | 10.4178; 12.0725; 13.2955 90.683; 110.55; 96.916 | 1551.7 | Liu, Dengfeng; Zhang, Xingmei; Zhu, Luqun; Wu, Jing; Lü, Xingqiang Alternating ring-opening copolymerization of styrene oxide and maleic anhydride using asymmetrical bis-Schiff-base metal(iii) catalysts Catal. Sci. Technol., 2015, 5, 562 |
| 1517813 | CIF | C35 H33 Br Cl Co N4 O7 | P -1 | 12.326; 12.7391; 13.0205 62.534; 82.794; 79.008 | 1779.1 | Liu, Dengfeng; Zhang, Xingmei; Zhu, Luqun; Wu, Jing; Lü, Xingqiang Alternating ring-opening copolymerization of styrene oxide and maleic anhydride using asymmetrical bis-Schiff-base metal(iii) catalysts Catal. Sci. Technol., 2015, 5, 562 |
| 1518337 | CIF | C75 H60 B Cl3 F24 Ir2 N2 | P -1 | 19.0059; 21.9914; 22.092 114.003; 107.666; 99.412 | 7588 | Corre, Y.; Iali, W.; Hamdaoui, M.; Trivelli, X.; Djukic, J.-P.; Agbossou-Niedercorn, F.; Michon, C. Efficient hydrosilylation of imines using catalysts based on iridium(iii) metallacycles Catal. Sci. Technol., 2015, 5, 1452 |
| 1518357 | CIF | C19 H21 N O2 S | P 1 21/n 1 | 9.952; 15.043; 11.1 90; 90.067; 90 | 1661.8 | Labed, I.; Labed, A.; Sun, Y.; Jiang, F.; Achard, M.; Dérien, S.; Kabouche, Z.; Bruneau, C. [Cp*Ru]-catalyzed selective coupling/hydrogenation Catal. Sci. Technol., 2015, 5, 1650 |
| 1518406 | CIF | C28 H36 N2 P2 | P -1 | 11.4796; 15.5902; 15.8639 98.551; 106.145; 104.953 | 2559.42 | Härzschel, Stefan; Kühn, Fritz E.; Wöhl, Anina; Müller, Wolfgang; Al-Hazmi, Mohammed H.; Alqahtani, Abdullah M.; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe Comparative study of new chromium-based catalysts for the selective tri- and tetramerization of ethylene Catal. Sci. Technol., 2015, 5, 1678 |
| 1518538 | CIF | C19 H33 Cl3 Fe N5 O3 | P -1 | 7.2528; 12.6837; 14.9215 106.95; 99.766; 99.208 | 1261.66 | Nesterov, Dmytro S.; Nesterova, Oksana V.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L. Catalytic behaviour of a novel Fe(iii) Schiff base complex in the mild oxidation of cyclohexane Catal. Sci. Technol., 2015, 5, 1801 |
| 1518546 | CIF | C9 H5 F3 Mo O3 | P 1 | 6.453; 6.544; 6.7851 107.752; 97.132; 107.192 | 253.356 | Hauser, Simone A.; Reich, Robert M.; Mink, János; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E. Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)3R] and [CpMo(O2)(O)R] (R = Cl, CH3, CF3) on the catalytic olefin epoxidation Catal. Sci. Technol., 2015, 5, 2282 |
| 1518547 | CIF | C6 H5 F3 Mo O3 | C 1 2/c 1 | 20.5911; 6.9325; 12.3919 90; 117.372; 90 | 1570.87 | Hauser, Simone A.; Reich, Robert M.; Mink, János; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E. Influence of structural and electronic properties of organomolybdenum(ii) complexes of the type [CpMo(CO)3R] and [CpMo(O2)(O)R] (R = Cl, CH3, CF3) on the catalytic olefin epoxidation Catal. Sci. Technol., 2015, 5, 2282 |
| 1518673 | CIF | C33 H48 N2 O9 S | P 1 21 1 | 13.6507; 10.3032; 13.9805 90; 109.803; 90 | 1850.02 | Shen, Hongyun; Shen, Chao; Chen, Chao; Wang, Anming; Zhang, Pengfei Novel glycosyl pyridyl-triazole@palladium nanoparticles: efficient and recoverable catalysts for C‒C cross-coupling reactions Catal. Sci. Technol., 2015, 5, 2065 |
| 1518674 | CIF | C75 H71 Cl2 N3 Pd | P -1 | 12.3155; 15.9288; 19.2346 79.609; 87.992; 81.295 | 3668.5 | Maluenda, Irene; Chen, Ming-Tsz; Guest, Daniel; Mark Roe, S.; Turner, Michael L.; Navarro, Oscar Room temperature, solventless telomerization of isoprene with alcohols using (N-heterocyclic carbene)‒palladium catalysts Catal. Sci. Technol., 2015, 5, 1447 |
| 1518675 | CIF | C27 H39 Cl2 N3 Pd | C 1 2/c 1 | 35.0018; 11.2158; 15.2054 90; 111.789; 90 | 5542.8 | Maluenda, Irene; Chen, Ming-Tsz; Guest, Daniel; Mark Roe, S.; Turner, Michael L.; Navarro, Oscar Room temperature, solventless telomerization of isoprene with alcohols using (N-heterocyclic carbene)‒palladium catalysts Catal. Sci. Technol., 2015, 5, 1447 |
| 1519361 | CIF | C64 H88 N2 O5 Sc | P 1 21/n 1 | 12.8779; 19.9196; 24.2784 90; 103.146; 90 | 6064.7 | Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide Catal. Sci. Technol., 2015, 5, 3302 |
| 1519362 | CIF | C64.5 H85 N2 O5 Yb | P 1 21/n 1 | 13.106; 19.8031; 24.2374 90; 103.093; 90 | 6127 | Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide Catal. Sci. Technol., 2015, 5, 3302 |
| 1519363 | CIF | C73 H105 N2 O8 Y | P 1 21/c 1 | 10.8744; 29.9882; 21.5416 90; 99.001; 90 | 6938.3 | Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide Catal. Sci. Technol., 2015, 5, 3302 |
| 1519364 | CIF | C73 H105 N2 Nd O8 | P 1 21/c 1 | 10.8719; 30.0322; 21.6152 90; 99.151; 90 | 6967.7 | Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide Catal. Sci. Technol., 2015, 5, 3302 |
| 1519365 | CIF | C52 H76 N3 O4 Si2 Yb | P 1 21/n 1 | 17.715; 14.656; 20.41 90; 98.17; 90 | 5245 | Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide Catal. Sci. Technol., 2015, 5, 3302 |
| 1519366 | CIF | C52 H76 N3 O4 Si2 Y | P 1 21/n 1 | 17.6572; 14.6349; 20.3043 90; 98.333; 90 | 5191.5 | Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide Catal. Sci. Technol., 2015, 5, 3302 |
| 1519632 | CIF | C15 H12 Mo O3 | P b c a | 16.6109; 8.7885; 17.8015 90; 90; 90 | 2598.75 | Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E. Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts Catal. Sci. Technol., 2015, 5, 4772 |
| 1519633 | CIF | C15 H7 F5 Mo O3 | P 1 21/n 1 | 8.1106; 14.7261; 12.4891 90; 100.409; 90 | 1467.12 | Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E. Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts Catal. Sci. Technol., 2015, 5, 4772 |
| 1519699 | CIF | C40 H46 Cl8 Co5 N18 | P -1 | 11.5936; 11.9201; 12.1223 63.593; 88.025; 67.331 | 1365.41 | Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole) RSC Advances, 2015, 5, 48596-48606 |
| 1519700 | CIF | C30.5 H18 Co3 N8 O8.5 | P -1 | 9.2529; 10.6355; 11.0493 63.622; 86.489; 74.907 | 938.7 | Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole) RSC Advances, 2015, 5, 48596-48606 |
| 1519701 | CIF | C28 H22 Co N16 O2 | P 1 21/n 1 | 9.2567; 15.269; 10.2578 90; 96.72; 90 | 1439.9 | Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole) RSC Advances, 2015, 5, 48596-48606 |
| 1519702 | CIF | C28 H22 N16 Ni O2 | P 1 21/n 1 | 9.1787; 15.2181; 10.3355 90; 96.657; 90 | 1434 | Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole) RSC Advances, 2015, 5, 48596-48606 |
| 1519703 | CIF | C14 H8 Cu2 N8 O | P b c n | 14.6978; 19.3933; 10.356 90; 90; 90 | 2951.9 | Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole) RSC Advances, 2015, 5, 48596-48606 |
| 1519704 | CIF | C14 H16 Mn N8 O4 | I 41/a c d | 19.1314; 19.1314; 20.6667 90; 90; 90 | 7564.2 | Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole) RSC Advances, 2015, 5, 48596-48606 |
| 1520028 | CIF | C7 H6 Br N O | P 1 21/c 1 | 16.189; 4.6448; 9.8821 90; 92.866; 90 | 742.15 | Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol., 2015, 5, 3822 |
| 1520029 | CIF | C7 H6 Br N O | P 1 21/n 1 | 5.0263; 10.9683; 13.3113 90; 93.465; 90 | 732.51 | Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol., 2015, 5, 3822 |
| 1520030 | CIF | C22 H16 N2 O2 | P 1 21/n 1 | 9.3024; 8.3301; 21.227 90; 94.1; 90 | 1640.7 | Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol., 2015, 5, 3822 |
| 1520031 | CIF | C22 H12 N2 | P 1 21/c 1 | 12.3869; 7.756; 16.0899 90; 95.514; 90 | 1538.65 | Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol., 2015, 5, 3822 |
| 1520032 | CIF | C22 H12 N2 | P 1 21 1 | 7.874; 7.9775; 12.3173 90; 92.715; 90 | 772.84 | Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol., 2015, 5, 3822 |
| 1520033 | CIF | C28 H23 O P | P 21 21 21 | 7.9622; 12.3209; 21.0198 90; 90; 90 | 2062.07 | Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol., 2015, 5, 3822 |
| 1520034 | CIF | C7 H6 Br N O | P 1 21/c 1 | 4.92; 5.3316; 27.538 90; 93.562; 90 | 721 | Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol., 2015, 5, 3822 |
| 1520261 | CIF | C20 H20 Cl F N4 O3 | P n a 21 | 22.318; 10.108; 9.029 90; 90; 90 | 2036.9 | Areias, L. R. P.; Ruivo, E. F. P.; Gonçalves, L. M.; Duarte, M. T.; André, V.; Moreira, R.; Lucas, S. D.; Guedes, R. C. A unified approach toward the rational design of selective low nanomolar human neutrophil elastase inhibitors RSC Advances, 2015, 5, 51717-51721 |
| 1520262 | CIF | C14 H18 N2 O4 S | P 21 21 21 | 6.702; 11.902; 18.892 90; 90; 90 | 1507 | Areias, L. R. P.; Ruivo, E. F. P.; Gonçalves, L. M.; Duarte, M. T.; André, V.; Moreira, R.; Lucas, S. D.; Guedes, R. C. A unified approach toward the rational design of selective low nanomolar human neutrophil elastase inhibitors RSC Advances, 2015, 5, 51717-51721 |
| 1520263 | CIF | C16 H18 N4 O2 S | P 1 21 1 | 8.2251; 10.3695; 9.9358 90; 94.251; 90 | 845.095 | Deshpande, Sudhindra H.; Shende, Vaishali S.; Shingote, Savita K.; Chakravarty, Debamitra; Puranik, Vedavati G.; Chaudhari, Raghunath V.; Kelkar, Ashutosh A. Rhodium complex with unsymmetrical vicinal diamine ligand: excellent catalyst for asymmetric transfer hydrogenation of ketones RSC Advances, 2015, 5, 51722-51729 |
| 1520321 | CIF | B Ga O3 | R -3 c :H | 4.5659; 4.5659; 14.1764 90; 90; 120 | 255.947 | Wang, Shichao; Ye, Ning; Poeppelmeier, Kenneth Flux Growth and Crystal Structure Refinement of Calcite Type Borate GaBO3 Crystals, 2015, 5, 252 |
| 1520578 | CIF | C56 H57 Cu3 N38 O22.5 | P -1 | 14.1016; 14.4022; 20.4554 94.939; 95.386; 119.157 | 3570.2 | Palomas, David; Kalamaras, Christos; Haycock, Peter; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R. Re-evaluating selectivity as a determining factor in peroxidative methane oxidation by multimetallic copper complexes Catal. Sci. Technol., 2015, 5, 4108 |
| 1520579 | CIF | C24 H52 B6 Cu4 F8 N4 O17 | C 1 2/c 1 | 14.4651; 19.3815; 14.1054 90; 90.991; 90 | 3953.9 | Palomas, David; Kalamaras, Christos; Haycock, Peter; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R. Re-evaluating selectivity as a determining factor in peroxidative methane oxidation by multimetallic copper complexes Catal. Sci. Technol., 2015, 5, 4108 |
| 1520736 | CIF | C16 H16 N2 O S | P 21 21 21 | 7.2412; 10.1066; 19.681 90; 90; 90 | 1440.33 | Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones – experimental and theoretical studies Catal. Sci. Technol., 2015, 5, 4790 |
| 1520737 | CIF | C14 H14 N2 O S2 | P 21 21 21 | 7.1805; 9.8395; 19.6096 90; 90; 90 | 1385.47 | Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones – experimental and theoretical studies Catal. Sci. Technol., 2015, 5, 4790 |
| 1520738 | CIF | C24 H25 Cl2 N3 O Ru S | P 21 21 21 | 10.0568; 14.9314; 16.7695 90; 90; 90 | 2518.1 | Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies Catal. Sci. Technol., 2015, 5, 4790 |
| 1520739 | CIF | C20 H20 Cl2 N2 O Ru S2 | P 21 21 21 | 6.6174; 17.1016; 19.4048 90; 90; 90 | 2196 | Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies Catal. Sci. Technol., 2015, 5, 4790 |
| 1520740 | CIF | C20 H20 Cl2 N2 O2 Ru S | P 21 21 21 | 6.503; 10.2867; 31.8305 90; 90; 90 | 2129.28 | Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies Catal. Sci. Technol., 2015, 5, 4790 |
| 1521275 | CIF | C24 H43 Ir O2 P2 | P -1 | 8.5336; 11.7835; 13.3762 100.381; 95.958; 103.944 | 1268.7 | Rimoldi, M.; Fodor, D.; van Bokhoven, J. A.; Mezzetti, A. Catalytic hydrogenation of liquid alkenes with a silica-grafted hydride pincer iridium(iii) complex: support for a heterogeneous mechanism Catal. Sci. Technol., 2015, 5, 4575 |
| 1521276 | CIF | C25 H45 Ir O2 P2 | P 1 21/c 1 | 16.2181; 10.735; 15.8712 90; 107.894; 90 | 2629.5 | Rimoldi, M.; Fodor, D.; van Bokhoven, J. A.; Mezzetti, A. Catalytic hydrogenation of liquid alkenes with a silica-grafted hydride pincer iridium(iii) complex: support for a heterogeneous mechanism Catal. Sci. Technol., 2015, 5, 4575 |
| 1521427 | CIF | Bi5 Fe O15 Ti3 | A 21 a m | 5.4677; 5.4396; 41.2475 90; 90; 90 | 1226.79 | Ko, T.-Y.; Jun, C.-H.; Lee, J.-S. A combined Rietveld refinement on the crystal structure of a magnetoelectric Aurivillius phase Bi5 Ti3 Fe O15 using neutron and X-ray powder diffraction The Korean Journal of Ceramics, 1999, 5, 341-347 |
| 1522280 | CIF | Fe23 Y6 | F m -3 m | 12.12; 12.12; 12.12 90; 90; 90 | 1780.36 | Kripyakevich, P.I.; Frankevich, D.P.; Voroshilov, Yu.V. Compounds with Th6 Mn23-type structures in alloys of the rare-earth metals with manganese and iron Poroshkovaya Metallurgiya, 1965, 5, 55-61 |
| 1522284 | CIF | Ho6 Mn23 | F m -3 m | 12.34; 12.34; 12.34 90; 90; 90 | 1879.08 | Kripyakevich, P.I.; Frankevich, D.P.; Voroshilov, Yu.V. Compounds with Th6 Mn23-type structures in alloys of the rare-earth metals with manganese and iron Poroshkovaya Metallurgiya, 1965, 5, 55-61 |
| 1522565 | CIF | Fe0.95 Sb0.05 | I m -3 m | 2.9; 2.9; 2.9 90; 90; 90 | 24.389 | Nageswararao, M.; McMahon, C.J.jr.; Herman, H. The solubility and solution behavior of antimony and tin in alpha-iron and the effects of nickel and chromium additions Metallurgical Transactions, 1974, 5, 1061-1068 |
| 1522789 | CIF | Hf | I m -3 m | 3.61; 3.61; 3.61 90; 90; 90 | 47.046 | Ross, R.G.; Hume-Rothery, W. A study of some binary hafnium compounds Journal of the Less-Common Metals, 1963, 5, 258-270 |
| 1523002 | CIF | Rh2 Th | P 63/m m c | 4.629; 4.629; 5.849 90; 90; 120 | 108.539 | Thomson, J.R. Alloys of thorium with certain transition metals. I. The system thorium-rhodium Journal of the Less-Common Metals, 1963, 5, 437-442 |
| 1523034 | CIF | C4 H8 Fe N6 S4 | P -1 | 10.114; 7.662; 3.897 105; 81.8; 96.4 | 287.84 | Valle, G.; Russo, U.; Calogero, S. The crystal and molecular structure of bis(thiourea)iron(II) thiocyanate Transition Metal Chemistry, 1980, 5, 26-29 |
| 1523039 | CIF | Pd V3 | P m -3 n | 4.828; 4.828; 4.828 90; 90; 90 | 112.539 | Vielhaber, E.; Luo, H.L. New A15-phases Solid State Communications, 1967, 5, 221-223 |
| 1523040 | CIF | Tl0.8 Zr3.2 | P m -3 n | 5.626; 5.626; 5.626 90; 90; 90 | 178.073 | Vielhaber, E.; Luo, H.L. New A15 phases Solid State Communications, 1967, 5, 221-223 |
| 1523041 | CIF | Hg Ti3 | P m -3 n | 5.187; 5.187; 5.187 90; 90; 90 | 139.556 | Vielhaber, E.; Luo, H.L. New A15-phases Solid State Communications, 1967, 5, 221-223 |
| 1523188 | CIF | Ni Zn | I 4/m m m | 2.756; 2.756; 3.1927 90; 90; 90 | 24.25 | Anantatmula, R.P.; Masson, D.B. Thermodynamic properties of solid Ni-Zn alloys by atomic absorption Metallurgical Transactions, 1974, 5, 605-613 |
| 1523225 | CIF | Gd0.022 Yb0.978 | F m -3 m | 5.472; 5.472; 5.472 90; 90; 90 | 163.847 | Beaudry, B.J.; Spedding, F.H. The Gd-Yb and Lu-Yb systems Metallurgical Transactions, 1974, 5, 1631-1636 |
| 1523440 | CIF | Ni Tc | P 63/m m c | 2.625; 2.625; 4.238 90; 90; 120 | 25.29 | Darby, J.B.jr.; Norton, L.J.; Downey, J.W. A survey of the binary systems of technetium with group VIII transition elements Journal of the Less-Common Metals, 1963, 5, 397-402 |
| 1523441 | CIF | Ir Tc | P 63/m m c | 2.74; 2.74; 4.34 90; 90; 120 | 28.218 | Darby, J.B.jr.; Norton, L.J.; Downey, J.W. A survey of the binary systems of technetium with group VIII transition elements Journal of the Less-Common Metals, 1963, 5, 397-402 |
| 1523713 | CIF | Ge1.75 La | I m m a | 4.41; 4.3; 14.19 90; 90; 90 | 269.085 | Gladyshevskii, E.I. Crystal structure of the digermanide of rare earth elements Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1964, 5, 568-575 |
| 1524030 | CIF | Co22.99 Cr15.01 W15 | R -3 :H | 10.8819; 10.8819; 19.2366 90; 90; 120 | 1972.73 | Barrows, R.G.; Newkirk, J.B. Phase equilibria in the Co-Cr-W system with special emphasis on the R-phase Metallography, 1972, 5, 515-541 |
| 1524094 | CIF | Co2 Ga Ti | F m -3 m | 5.844; 5.844; 5.844 90; 90; 90 | 199.586 | Booth, J.G.; Pritchard, R.G. Stuctural and magnetic properties of Co2 Ga2-x Tix alloys Journal of Physics F, 1975, 5, 347-358 |
| 1524244 | CIF | Co Tc | P 63/m m c | 2.628; 2.628; 4.19 90; 90; 120 | 25.061 | Darby, J.B.jr.; Norton, L.J.; Downey, J.W. A survey of the binary systems of technetium with group VIII transition elements Journal of the Less-Common Metals, 1963, 5, 397-402 |
| 1525119 | CIF | Co0.08 Mo0.92 | I m -3 m | 3.1363; 3.1363; 3.1363 90; 90; 90 | 30.85 | Quinn, T.J.; Hume-Rothery, W. The equilibrium diagram of the system molybdenum- cobalt Journal of the Less-Common Metals, 1963, 5, 314-324 |
| 1525120 | CIF | Co0.82 Mo0.18 | P 63/m m c | 2.5973; 2.5973; 4.2124 90; 90; 120 | 24.61 | Quinn, T.J.; Hume-Rothery, W. The equilibrium diagram of the system molybdenum-cobalt Journal of the Less-Common Metals, 1963, 5, 314-324 |
| 1525744 | CIF | Cr O4 Tl2 | P m c n | 5.91; 10.727; 7.91 90; 90; 90 | 501.467 | Carter, R.L.; Margulis, T.N. Crystal Structure of Tl2 Cr O4 Journal of Solid State Chemistry, 1972, 5, 75-78 |
| 1525849 | CIF | Ca1.5 Mn Nd0.5 O4 | F m m 2 | 5.385; 5.366; 11.81 90; 90; 90 | 341.261 | Daoudi, A.; le Flem, G. Sur une Serie de Solutions Solides de Formule Ca2-x Lnx Mn O4 (Ln = Pr, Nd, Sm, Eu, Gd) Journal of Solid State Chemistry, 1972, 5, 57-61 |
| 1525913 | CIF | Cr0.024 O2 V0.976 | P 42/m n m | 4.55; 4.55; 2.86 90; 90; 90 | 59.209 | Marezio, M.; McWhan, D.B.; Remeika, J.P.; Dernier, P.D. Structural aspects of the metal-insulator transition in Cr-doped V O2 Physical Review, Serie 3. B - Solid State (1,1970-17,1977), 1972, 5, 2541-2551 |
| 1525914 | CIF | Cr0.024 O2 V0.976 | C 1 2/m 1 | 9.0664; 5.797; 4.5255 90; 91.88; 90 | 237.723 | Marezio, M.; McWhan, D.B.; Remeika, J.P.; Dernier, P.D. Structural Aspects of the Metal-Insulator Transition in Cr-Doped V O2 Physical Review, Serie 3. B - Solid State (1,1970-17,1977), 1972, 5, 2541-2551 |
| 1526007 | CIF | O4 Te V | P 1 21/c 1 | 5.099; 4.934; 12.672 90; 105.85; 90 | 306.687 | Meunier, G.; Darriet, J.; Galy, J. L'oxyde double Te V O4 I. Synthese et polymorphisme, structure cristalline de alpha-Te V O4 Journal of Solid State Chemistry, 1972, 5, 314-320 |
| 1526059 | CIF | O4 Tb V | I 41/a m d :1 | 7.1772; 7.1772; 6.3289 90; 90; 90 | 326.016 | Fuess, H.; Kallel, A. Refinement of the crystal structure of some rare earth vanadates R V O4 (R = Dy, Tb, Ho, Yb) Journal of Solid State Chemistry, 1972, 5, 11-14 |
| 1526060 | CIF | Dy O4 V | I 41/a m d :1 | 7.143; 7.143; 6.313 90; 90; 90 | 322.105 | Fuess, H.; Kallel, A. Refinement of the Crystal Structure of Some Rare Earth Vanadates R V O4 (R = Dy, Tb, Ho, Yb) Journal of Solid State Chemistry, 1972, 5, 11-14 |
| 1526061 | CIF | Ho O4 V | I 41/a m d :1 | 7.1214; 7.1214; 6.2926 90; 90; 90 | 319.125 | Fuess, H.; Kallel, A. Refinement of the Crystal Structure of Some Rare Earth Vanadates R V O4 (R = Dy, Tb, Ho, Yb) Journal of Solid State Chemistry, 1972, 5, 11-14 |
| 1526138 | CIF | O5 P V | P n m a | 7.77; 6.143; 6.965 90; 90; 90 | 332.447 | Gopal, R.; Calvo, C. Crystal structure of beta-V P O5 Journal of Solid State Chemistry, 1972, 5, 432-435 |
| 1526158 | CIF | Cr Fe O7 Ti2 | P 1 21/a 1 | 7.032; 5; 14.425 90; 116.59; 90 | 453.539 | Grey, I.E.; Mumme, W.G. The Structure of Cr Fe Ti2 O7 Journal of Solid State Chemistry, 1972, 5, 168-173 |
| 1526256 | CIF | Fe0.666 O2.997 Sr0.999 Te0.333 | P m -3 m | 3.947; 3.947; 3.947 90; 90; 90 | 61.49 | Harari, D.; Bernier, J.C.; Poix, P. Contribution a l'Etude de Deux Tellurates de Type Perovskite Journal of Solid State Chemistry, 1972, 5, 382-390 |
| 1526258 | CIF | Ba3 Fe2 O9 Te | P 63/m m c | 5.77; 5.77; 14.207 90; 90; 120 | 409.623 | Harari, D.; Bernier, J.C.; Poix, P. Contribution a l'Etude de Deux Tellurates de Type Perovskite Journal of Solid State Chemistry, 1972, 5, 382-390 |
| 1526261 | CIF | Cr0.1 O4 V1.9 | F 2 2 2 | 13.015; 12.597; 5.795 90; 90; 90 | 950.09 | Pierce, J.W.; Goodenough, J.B. Structure of Orthorhombic V.95 Cr.05 O2 Physical Review, Serie 3. B - Solid State (1,1970-17,1977), 1972, 5, 4104-4111 |
| 1526340 | CIF | Cu O3 V | P 1 | 4.9646; 5.4023; 4.9154 90.32; 119.31; 63.93 | 99.496 | Rea, J.R.; Bless, P.W.; Kostiner, E. The Crystal Structure of Cu V O3, a Distorted Ilmenite-Type Derivative Journal of Solid State Chemistry, 1972, 5, 446-451 |
| 1526355 | CIF | Cr Mn Ni O4 | F d -3 m :2 | 8.38; 8.38; 8.38 90; 90; 90 | 588.48 | Renault, N.; Baffier, N.; Huber, M. Distribution Cationique et Distorsion Cristalline dans les Manganites Spinelles Ni Crx Mn2-x O4 Journal of Solid State Chemistry, 1972, 5, 250-254 |
| 1526357 | CIF | Cr1.5 Mn0.5 Ni O4 | F d -3 m :2 | 8.366; 8.366; 8.366 90; 90; 90 | 585.536 | Renault, N.; Baffier, N.; Huber, M. Distribution Cationique et Distorsion Cristalline dans les Manganites Spinelles Ni Crx Mn2-x O4 Journal of Solid State Chemistry, 1972, 5, 250-254 |
| 1526359 | CIF | Cr1.8 Mn0.2 Ni O4 | F d -3 m :2 | 8.33; 8.33; 8.33 90; 90; 90 | 578.01 | Renault, N.; Huber, M.; Baffier, N. Distribution Cationique et Distorsion Cristalline dans les Manganites Spinelles Ni Crx Mn2-x O4 Journal of Solid State Chemistry, 1972, 5, 250-254 |
| 1527223 | CIF | Ca3.1 In6.6 S13 | C 1 2/m 1 | 37.63; 3.8358; 13.7129 90; 91.65; 90 | 1978.52 | Chapuis, G.; Niggli, A. Crystal structure and crystal chemistry of a new sulfide In6.6 Ca3.1 S13 Journal of Solid State Chemistry, 1972, 5, 126-130 |
| 1527245 | CIF | Br Cu0.25 H3.5 N | P m -3 | 4.07; 4.07; 4.07 90; 90; 90 | 67.419 | Clayton, W.; Meyers, E. Diammonium diamminecopper(II) bromide, Br4 Cu H14 N4 Crystal Structure Communications, 1976, 5, 57-60 |
| 1527246 | CIF | Cl0.9999 Cu0.3333 H3.333 N0.9999 | P m -3 | 3.901; 3.901; 3.901 90; 90; 90 | 59.365 | Clayton, W.; Meyers, E. Ammonium diamminecopper(II) chloride, Cl3 Cu H10 N3 Crystal Structure Communications, 1976, 5, 63-65 |
| 1527247 | CIF | Cl Cu0.25 H3.5 N | P m -3 | 3.91; 3.91; 3.91 90; 90; 90 | 59.776 | Clayton, W.; Meyers, E. Diammonium diamminecopper(II) chloride, Cl4 Cu H14 N4 Crystal Structure Communications, 1976, 5, 61-62 |
| 1527249 | CIF | K O2 Pr | R -3 m :H | 3.64; 3.64; 18.65 90; 90; 120 | 213.999 | Clos, R.; Fouassier, C.; Devalette, M.; Hagenmuller, P. Sur deux nouveaux oxydes doubles K Ce O2 et K Pr O2 a structure Na Fe O2 alpha. Les solutions solides K1+x/3 Pr(III)1-x Pr(IV)2x/3 O2 Materials Research Bulletin, 1970, 5, 179-184 |
| 1527351 | CIF | Ta V | I m -3 m | 3.2; 3.2; 3.2 90; 90; 90 | 32.768 | Eremenko, V.N.; Tret'yachenko, L.A.; Yakhimovich, R.I. Fusion diagram of the tantalum-vanadium system Zhurnal Neorganicheskoi Khimii, 1960, 5, 1110-1112 |
| 1527383 | CIF | H12 N3 O15 Pr | P -1 | 9.234; 11.77; 6.778 91.17; 110.72; 69.48 | 640.768 | Fuller, C.; Jacobson, R.A. Tris(nitrato)tetraaquopraseodymium(III) dihydrate, Pr (N O3)3 (H2 O)4 (H2 O)2 Crystal Structure Communications, 1976, 5, 349-352 |
| 1527420 | CIF | Er5 Ge3 | P 63/m c m | 8.35; 8.35; 6.26 90; 90; 120 | 377.988 | Gladyshevskii, E.I. Compounds of the Mn5 Si3 type in alloys of rare earth metals with germanium Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1964, 5, 919-921 |
| 1527423 | CIF | In2.16 S5 Zn1.65 | P 63 m c | 3.851; 3.851; 30.85 90; 90; 120 | 396.217 | Gnehm, C.; Niggli, A. Crystal structures in the system Zn-In-S Journal of Solid State Chemistry, 1972, 5, 118-125 |
| 1527424 | CIF | In1.53 S8 Zn4.1 | P 3 m 1 | 3.857; 3.857; 24.961 90; 90; 120 | 321.582 | Gnehm, C.; Niggli, A. Crystal Structures in the System Zn-In-S Journal of Solid State Chemistry, 1972, 5, 118-125 |
| 1527425 | CIF | In2.02 S10 Zn6.58 | P 3 m 1 | 3.838; 3.838; 31.3 90; 90; 120 | 399.287 | Gnehm, C.; Niggli, A. Crystal Structures in the System Zn-In-S Journal of Solid State Chemistry, 1972, 5, 118-125 |
| 1527463 | CIF | P3 Sn | R -3 m :H | 7.3785; 7.3785; 10.5125 90; 90; 120 | 495.647 | Gullman, J.; Olofsson, O. The crystal structure of Sn P3 and a note on the crystal structure of Ge P3 Journal of Solid State Chemistry, 1972, 5, 441-445 |
| 1527464 | CIF | Ge P3 | R -3 m :H | 7.05; 7.05; 9.932 90; 90; 120 | 427.509 | Gullman, J.; Olofsson, O. The Crystal STructure of Sn P3 and a Note on the Crystal Structure of Ge P3 Journal of Solid State Chemistry, 1972, 5, 441-445 |
| 1527523 | CIF | Ba Fe2 S3 | C m c m | 8.7835; 11.219; 5.286 90; 90; 90 | 520.893 | Hong, H.Y.-P.; Steinfink, H. The Crystal Chemistry of Phases in the Ba-Fe-S and Se Systems Journal of Solid State Chemistry, 1972, 5, 93-104 |
| 1527524 | CIF | Ba Fe2 Se3 | P n m a | 11.878; 5.447; 9.16 90; 90; 90 | 592.647 | Hong, H.Y.-P.; Steinfink, H. The Crystal Chemistry of Phases in the Ba-Fe-S and Se Systems Journal of Solid State Chemistry, 1972, 5, 93-104 |
| 1527525 | CIF | Ba6 Fe8 S15 | I 4/m | 11.408; 11.408; 10.256 90; 90; 90 | 1334.74 | Hong, H.Y.-P.; Steinfink, H. The Crystal Chemistry of Phases in the Ba-Fe-S and Se Systems Journal of Solid State Chemistry, 1972, 5, 93-104 |
| 1527526 | CIF | Ba3 Fe3 Se7 | P 63 m c | 10.843; 10.843; 7.384 90; 90; 120 | 751.833 | Hong, H.Y.-P.; Steinfink, H. The crystal chemistry of phases in the Ba-Fe-S and Se systems Journal of Solid State Chemistry, 1972, 5, 93-104 |
| 1527608 | CIF | Co0.5 Si1.5 U | P 6/m m m | 3.988; 3.988; 3.883 90; 90; 120 | 53.482 | Kaczorowski, D.; Noel, H. Spin-glas-like behaviour in U2 T Si3 (T= Fe, Co, Ni or Cu) intermetallics with distorted Al B2- and alpha-Th Si2-type structure Journal of Physics: Condensed Matter, 1993, 5, 9185-9195 |
| 1528163 | CIF | Ti3.2 Tl0.8 | P m -3 n | 5.256; 5.256; 5.256 90; 90; 90 | 145.2 | Vielhaber, E.; Luo, H.L. New A-15 phases Solid State Communications, 1967, 5, 221-223 |
| 1528257 | CIF | As Ga Ni3 | P 63/m m c | 3.87; 3.87; 5.03 90; 90; 120 | 65.241 | Zheng, X.-Y.; Lin, J.-C.; Swenson, D.; Hsieh, K.-C.; Chang, Y.A. Phase equilibria of Ga-Ni-As at 600 deg. C and the structural relationships between gamma-Ni3 Ga2, gamma Ni13 Ga9 and T-Ni3 Ga As Materials Science and Engineering B, 1989, 5, 63-72 |
| 1528540 | CIF | Be O4 S | I -4 | 4.49; 4.49; 6.9 90; 90; 90 | 139.105 | Grund, A. Die Kristallstruktur von Be S O4 Tschermaks Mineralogische und Petrographische Mitteilungen (-1978), 1955, 5, 227-230 |
| 1529201 | CIF | C71.5 H54 Al Cl5 N4 O3 | P 1 21/c 1 | 15.72; 14.2236; 28.919 90; 96.12; 90 | 6429.3 | Gao, Bo; Li, Dongni; Li, Xiang; Duan, Ranlong; Pang, Xuan; Cui, Yuan; Duan, Qian; Chen, Xuesi Preparation of biocompatible, biodegradable and sustainable polylactides catalyzed by aluminum complexes bearing unsymmetrical dinaphthalene-imine derivatives via ring-opening polymerization of lactides Catal. Sci. Technol., 2015, 5, 4644 |
| 1529202 | CIF | C68 H50 Al Cl3 N4 O2 | P 1 21/n 1 | 14.265; 20.847; 18.412 90; 97.691; 90 | 5426.2 | Gao, Bo; Li, Dongni; Li, Xiang; Duan, Ranlong; Pang, Xuan; Cui, Yuan; Duan, Qian; Chen, Xuesi Preparation of biocompatible, biodegradable and sustainable polylactides catalyzed by aluminum complexes bearing unsymmetrical dinaphthalene-imine derivatives via ring-opening polymerization of lactides Catal. Sci. Technol., 2015, 5, 4644 |
| 1529333 | CIF HKL | Cs2 Dy F6 Rb | F m -3 m | 9.659; 9.659; 9.659 90; 90; 90 | 901.1 | S.V. Misjul; M.S. Molokeev; L.V. Osokina; I.N. Saphonov Structural Changes during Phase Transitions, Critical and Noncritical Order Parameters in the Elpasolite Cs2RbDyF6 Journal of Siberian Federal University. Mathematics & Physics, 2012, 5, 566-575 |
| 1529334 | CIF HKL | Cs2 Dy F6 Rb | P 1 21/n 1 | 6.8072; 6.8012; 9.6379 90; 90.356; 90 | 446.2 | S.V. Misjul; M.S. Molokeev; L.V. Osokina; I.N. Saphonov Structural Changes during Phase Transitions, Critical and Noncritical Order Parameters in the Elpasolite Cs2RbDyF6 Journal of Siberian Federal University. Mathematics & Physics, 2012, 5, 566-575 |
| 1529351 | CIF | C4 H48 K0.28 N16 Ni2 O4 Rb7.72 Si18 | C 1 2/c 1 | 30.669; 9.919; 19.894 90; 110.18; 90 | 5680 | Gärtner, Stefanie; Hamberger, Markus; Korber, Nikolaus The First Chelate-Free Crystal Structure of a Silicide Transition Metal Complex [K0.28Rb7.72Si9Ni(CO)2]2·16NH3 Crystals, 2015, 5, 275 |
| 1529352 | CIF | C20 H9 N3 O9 S4 | P 1 21/n 1 | 8.0275; 7.8676; 34.961 90; 90.106; 90 | 2208 | Salmerón-Valverde, Amparo; Bernès, Sylvain Two Closely Related Organic Charge-Transfer Complexes Based on Tetrathiafulvalene and 9H-fluorenone Derivatives. Competition between Hydrogen Bonding and Stacking Interactions Crystals, 2015, 5, 283 |
| 1529353 | CIF | C21 H11 N3 O9 S4 | P 1 21/n 1 | 19.078; 7.2068; 19.443 90; 117.833; 90 | 2364 | Salmerón-Valverde, Amparo; Bernès, Sylvain Two Closely Related Organic Charge-Transfer Complexes Based on Tetrathiafulvalene and 9H-fluorenone Derivatives. Competition between Hydrogen Bonding and Stacking Interactions Crystals, 2015, 5, 283 |
| 1529375 | CIF | C104 N6 O82 P2 Ti4 W20 | P 1 21/n 1 | 23.1112; 15.2701; 27.7104 90; 108.738; 90 | 9260.94 | Takahashi, Eri; Kamata, Keigo; Kikukawa, Yuji; Sato, Sota; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka Synthesis and oxidation catalysis of a Ti-substituted phosphotungstate, and identification of the active oxygen species Catal. Sci. Technol., 2015, 5, 4778 |
| 1529376 | CIF | O80 P2 Ti4 W20 | P -1 | 20.57; 34.716; 54.711 88.88; 85.12; 79.8 | 38312 | Takahashi, Eri; Kamata, Keigo; Kikukawa, Yuji; Sato, Sota; Suzuki, Kosuke; Yamaguchi, Kazuya; Mizuno, Noritaka Synthesis and oxidation catalysis of a Ti-substituted phosphotungstate, and identification of the active oxygen species Catal. Sci. Technol., 2015, 5, 4778 |
| 1529377 | CIF | C23 H19 N O | P -1 | 9.4895; 9.9809; 18.7212 88.615; 83.84; 89.586 | 1762.4 | Zhang, Chunyan; Liu, Jianhua; Xia, Chungu Palladium‒N-heterocyclic carbene (NHC)-catalyzed synthesis of 2-ynamides via oxidative aminocarbonylation of alkynes with amines Catal. Sci. Technol., 2015, 5, 4750 |
| 1529481 | CIF HKL | Er0.24 Gd6.96 O48 W12 Yb0.8 | C 1 2/c 1 | 7.65407; 11.41403; 11.39088 90; 109.744; 90 | 936.65 | Mengyan Yin; Yangai Liu; Lefu Mei; Maxim S. Molokeev; Zhaohui Huang; Minghao Fang Preparation, crystal structure and up-conversion luminescence of Er3+, Yb3+ co-doped Gd2(WO4)3 RSC Advances, 2015, 5, 73077-73082 |
| 1529492 | CIF HKL | Al4 Mg2 O18 Si5 | P 6/m c c | 9.78698; 9.78698; 9.33739 90; 90; 120 | 774.56 | Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports, 2015, 5, 12149-12153 |
| 1529493 | CIF HKL | Al8.33 K0.34 Mg4 O36 Si9.67 | P 6/m c c | 9.79306; 9.79306; 9.33885 90; 90; 120 | 775.64 | Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports, 2015, 5, 12149-12153 |
| 1529494 | CIF HKL | Al8.51 K0.52 Mg4 O36 Si9.49 | P 6/m c c | 9.79423; 9.79423; 9.34129 90; 90; 120 | 776.03 | Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports, 2015, 5, 12149-12153 |
| 1529495 | CIF HKL | Al9 K Mg4 O36 Si9 | P 6/m c c | 9.79964; 9.79964; 9.36376 90; 90; 120 | 778.76 | Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports, 2015, 5, 12149-12153 |
| 1529496 | CIF HKL | Al9.02 Mg4 O36 Rb0.99 Si8.98 | P 6/m c c | 9.79552; 9.79552; 9.37418 90; 90; 120 | 778.97 | Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports, 2015, 5, 12149-12153 |
| 1529497 | CIF HKL | Al8.51 Mg4 O36 Rb0.52 Si9.49 | P 6/m c c | 9.79723; 9.79723; 9.34351 90; 90; 120 | 776.69 | Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports, 2015, 5, 12149-12153 |
| 1529498 | CIF HKL | Al9 Mg4 O36 Rb Si9 | P 6/m c c | 9.79795; 9.79795; 9.3637 90; 90; 120 | 778.48 | Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties Scientific Reports, 2015, 5, 12149-12153 |
| 1529542 | CIF | Al10.33 Ba0.62 Mg0.67 O17 | R -3 m :H | 5.63; 5.63; 34.15 90; 90; 120 | 937.428 | Alden, M.; Thomas, J.O.; Farrington, G.C. The structure of Ba2+ and Ca2+ beta(II)-alumina Solid State Ionics, 1981, 5, 205-206 |
| 1529543 | CIF | Al10.33 Ca0.93 Mg0.67 O17 | R -3 m :H | 5.624; 5.624; 33.334 90; 90; 120 | 913.08 | Alden, M.; Thomas, J.O.; Farrington, G.C. The structure of Ba2+ and Ca2+ beta(II)-alumina Solid State Ionics, 1981, 5, 205-206 |
| 1529565 | CIF | Cd2 O17 P6 | P 1 1 21/n | 7.566; 5.486; 18.082 90; 90; 111.1 | 700.211 | Antsyshkina, A.S.; Porai-Koshits, M.A.; Minacheva, L.Kh.; Ivanova, V.C. Crystal structure of cadmium ultraphosphate Cd2 P6 O17. Structural patterns of phosphorus-oxygen anions in ultraphosphates Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 268-275 |
| 1529698 | CIF | Al10.33 K1.67 Mg0.67 O17 | R -3 m :H | 5.6253; 5.6253; 34.067 90; 90; 120 | 933.589 | Brown, G.M.; Schwinn, D.A.; Brundage, W.E.; Bates, J.B. Structures of four fast-ion conductors by single-crystal neutron-diffraction analysis. Zn-stabilized Na-beta(II)-alumina and Mg-stabilized Na-, K-, and Agbeta(II)-aluminas Solid State Ionics, 1981, 5, 147-150 |
| 1529699 | CIF | Al10.33 Mg0.67 Na1.67 O17 | R -3 m :H | 5.623; 5.623; 33.536 90; 90; 120 | 918.286 | Brown, G.M.; Brundage, W.E.; Bates, J.B.; Schwinn, D.A. Structures of four fast-ion conductors by single-crystal neutron-diffraction analysis. Zn-stabilized Na-beta(II)-alumina and Mg-stabilized Na-, K-, and Agbeta(II)-aluminas Solid State Ionics, 1981, 5, 147-150 |
| 1529700 | CIF | Al10.43 Na1.57 O17 Zn0.57 | R -3 m :H | 5.6165; 5.6165; 33.613 90; 90; 120 | 918.268 | Brown, G.M.; Schwinn, D.A.; Bates, J.B.; Brundage, W.E. Structures of four fast-ion conductors by single-crystal neutron-diffraction analysis. Zn-stabilized Na-beta(II)-alumina and Mg-stabilized Na-, K-, and Agbeta(II)-aluminas Solid State Ionics, 1981, 5, 147-150 |
| 1529710 | CIF | N O Ta | P 6/m m m | 7.31; 7.31; 4.04 90; 90; 120 | 186.959 | Buslaev, Yu.A.; Safronov, G.M.; Pachomov, V.I.; Glushkova, M.A.; Repko, V.P.; Zhdanova, T.A.; Zhukov, A.N.; Ershova, M.M. The production of monocrystals and the structure of Ta O N Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1969, 5, 45-48 |
| 1529746 | CIF | Cu2 S | P 63/m m c | 3.959; 3.959; 6.784 90; 90; 120 | 92.085 | Cava, R.J.; Wuensch, B.J.; Reidinger, F. Mobile ion distribution and anharmonic thermal motion in fast ion conducting Cu2 S Solid State Ionics, 1981, 5, 501-504 |
| 1529747 | CIF | Li2 O3 Re | R 3 c :H | 4.9711; 4.9711; 14.788 90; 90; 120 | 316.479 | Cava, R.J.; Roth, R.S.; Santoro, A.; Zahurak, S.M.; Murphy, D.W. Structural aspects of lithium insertion in oxides: Lix Re O3 and Li2 Fe V3 O8 Solid State Ionics, 1981, 5, 323-326 |
| 1529748 | CIF | Fe Li2 O8 V3 | C 1 2/m 1 | 11.9593; 3.918; 6.4653 90; 107.227; 90 | 289.351 | Cava, R.J.; Santoro, A.; Murphy, D.W.; Zahurak, S.M.; Roth, R.S. Structural aspects of lithium insertion in oxides: Lix Re O3 and Li2 Fe V3 O8 Solid State Ionics, 1981, 5, 323-326 |
| 1530038 | CIF | Cd S2 Tl | P -3 m 1 | 3.645; 3.645; 6.81 90; 90; 120 | 78.356 | Guseinov, G.D.; Guseinov, G.G.; Ismailov, M.Z.; Godzhaev, E.M. About the structure and physical properties of new semiconductor compounds Cd Tl S2 (Se2, Te2) Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1969, 5, 33-39 |
| 1530134 | CIF | Mn4 Si7 | P -4 c 2 | 5.525; 5.525; 17.463 90; 90; 90 | 533.069 | Karpinskii, O.G.; Evseev, B.A. The crystal structure of the compound Mn4 Si7 Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1969, 5, 525-529 |
| 1530156 | CIF | Cs4 F19 H16 O8 Rh Sn6 | B 1 1 2/b | 19.267; 17.513; 9.284 90; 90; 107.9 | 2981 | Khodashova, T.S.; Porai-Koshits, M.A.; Vetrova, I.V. Structure of a rhodium(III) complex with unusual fluorotin ligands, Cs4 (Rh (Sn F2 (H2 O)2)2 (Sn4 F15)) (H2 O)4 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 754-761 |
| 1530201 | CIF | Cl8 H12 N2 O2 Re2 | P -1 | 6.801; 7.874; 7.95 102.51; 108.31; 104.32 | 371.033 | Koz'min, P.A.; Surazhskaya, M.D.; Larina, T.B. Crystal structure of the compound (N H4)2 Re2 Cl8 (H2 O)2 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 752-753 |
| 1530203 | CIF | F8 K2 Re | P n m a | 8.7; 6.03; 12.56 90; 90; 90 | 658.91 | Koz'min, P.A. The structure investigation of potassium octafluororhenate K2 Re F8 Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1964, 5, 70-76 |
| 1530233 | CIF | Al B2 Fe2 | C m m m | 2.923; 11.046; 2.875 90; 90; 90 | 92.826 | Kuz'ma, Yu.B.; Chaban, N.F. The crystal structure of the compound Fe2 Al B2 Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1969, 5, 384-385 |
| 1530420 | CIF | Cs2 F6 H4 O6 U2 | P 1 21/c 1 | 6.027; 11.505; 9.389 90; 95.72; 90 | 647.798 | Mikhailov, Yu.N.; Ivanov, S.B.; Sadikov, G.G. Redetermination of the crystal structure of Cs2 ((U O2)2 F6 (H2 O)2) Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 1702-1705 |
| 1530499 | CIF | F H Hg O | P 21 21 21 | 4.963; 5.92; 6.857 90; 90; 90 | 201.465 | Nozik, Yu.Z.; Fykin, L.E.; Bukin, V.I.; Laptash, N.M. Crystal structure of mercury hydroxyfluoride Hg (O H)F determined by neutron diffraction Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 276-278 |
| 1530529 | CIF | Br5 Cs Hg2 | P 1 21/m 1 | 8.358; 6.302; 11.17 90; 106.88; 90 | 562.999 | Pakhomov, V.I.; Fedorov, P.M.; Ivanova-Korfini, I.N. Structure of the (Hg2 Br5)(-) anion in the Cs Hg2 Br5 crystal Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 1245-1248 |
| 1530745 | CIF | H24 K6 Mn Na2 O36 W6 | R -3 m :H | 13.038; 13.038; 18.296 90; 90; 120 | 2693.45 | Sergienko, V.S.; Molchanov, V.N.; Torchenkova, E.A.; Porai-Koshits, M.A. Synthesis and crystal structure of Na2 K6 (Mn W6 O24) (H2 O)12 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 936-942 |
| 1530791 | CIF | Gd4.67 O13 Si3 | P 63/m | 9.45; 9.45; 6.87 90; 90; 120 | 531.314 | Smolin, Yu.I.; Shepelev, Yu.F. The crystal structure of (Gd2 O3)7 (Si O2)9 Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1969, 5, 1823-1825 |
| 1530798 | CIF | H20.68 K1.33 N7.67 O16 P6 Pr | P n a 21 | 25.623; 10.577; 8.632 90; 90; 90 | 2339.4 | Sokol, V.I.; Porai-Koshits, M.A.; Butman, L.A.; Rozanov, I.A.; Berdnikov, V.R. Crystal structure of potassium ammonium bis(trimetaphosphimato)- praseodymate, K1.3 (N H4)1.7 (Pr ((P O2 N H)3)2) (H2 O)8 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 1093-1102 |
| 1530857 | CIF | H10 Mn O15 S2 U | P 1 21 1 | 6.506; 11.368; 8.338 90; 90.79; 90 | 616.622 | Tabachenko, V.V.; Serezhkin, V.I.; Serezhkina, L.B.; Kovba, L.M. Crystal structure of manganese sulfatouranylate Mn U O2 (S O4)2 (H2 O)5 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 1563-1568 |
| 1530899 | CIF | H I2 K O6 | P 1 1 21/b | 10.583; 8.626; 7.747 90; 90; 112.19 | 654.837 | Treushnikov, E.N.; Loshmanov, A.A.; Kalinin, V.R.; Fukin, L.E.; Yamzin, I.I.; Ilyukhin, V.V.; Dudarev, V.Ya.; Solov'ev, S.P. Neutron-diffraction study of the crystal structure of potassium acid iodate alpha-K I O3 H I O3 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 263-267 |
| 1530922 | CIF | F7 K3 N2 O6 Sb2 | B 1 1 2/m | 15.02; 7.17; 5.69 90; 90; 92.3 | 612.282 | Udovenko, A.A.; Volkova, L.M.; Davidovich, R.L.; Simonov, M.A. Crystal structure of di- and trinitraroheptafluorodiantimonates(III) of potassium K (Sb2 F7) (K N O3)2 and K (Sb2 F7) (K N O3)3 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 133-137 |
| 1530923 | CIF | F7 K4 N3 O9 Sb2 | P b c n | 8.613; 8.996; 19.929 90; 90; 90 | 1544.15 | Udovenko, A.A.; Volkova, L.M.; Simonov, M.A.; Davidovich, R.L. Crystal structure of di- and trinitratoheptafluorodiantimonates(III) of potassium K (Sb2 F7) (K N O3)2 and K (Sb2 F7) (K N O3)3 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 133-137 |
| 1530924 | CIF | Cs3 F6 N3 O9 Sb2 | B 1 1 2/b | 22.243; 9.883; 7.602 90; 90; 90.17 | 1671.12 | Udovenko, A.A.; Volkova, L.M.; Zemnukhova, L.A.; Davidovich, R.L. Crystal structure of cesium trinitratohexafluorodiantimonate(III) Cs3 Sb2 F6 (N O3)3 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 595-597 |
| 1530925 | CIF | F3 H8 N2 O4 S Sb | P b c a | 10.85; 10.875; 13.521 90; 90; 90 | 1595.39 | Udovenko, A.A.; Davidovich, R.L.; Volkova, L.M.; Zemnukhova, L.A. Crystal structure of ammonium sulfatotrifluoroantimonate(III) (N H4)2 Sb F3 S O4 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 749-751 |
| 1530926 | CIF | F6 N4 O12 Rb4 Sb2 | P 1 1 21 | 11.124; 11.63; 7.506 90; 90; 105.03 | 937.847 | Udovenko, A.A.; Volkova, L.M.; Davidovich, R.L. Crystal structure of Rb3 Sb2 F6 (N O3)3 Rb N O3 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 1706-1710 |
| 1530927 | CIF | F3 H12 N6 O9 Sb | P 1 1 21 | 9.559; 9.037; 7.429 90; 90; 101.08 | 629.789 | Udovenko, A.A.; Volkova, L.M.; Sigula, N.I.; Davidovich, R.L. Crystal structure of ammonium trinitratotrifluoroantimonate(III) Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 1711-1715 |
| 1531394 | CIF | Ba Ga0.069 O2.925 Ti0.931 | P 63/m m c | 5.72434; 5.72434; 13.99848 90; 90; 120 | 397.249 | Feteira, A.; Alford, N.M.; Rampling, M.J.; Kirk, C.A.; Keith, G.M.; Reaney, I.M.; Sarma, K.; Sinclair, D.C. Synthesis and characterisation of Ga-doped hexagonal Ba Ti O3 Crystal Engineering, 2002, 5, 439-448 |
| 1532536 | CIF | Ca0.666 La0.667 O3 Ti0.667 | P 1 21/n 1 | 5.5865; 5.7077; 7.9805 90; 90.1; 90 | 254.466 | Aatiq, A. Synthesis and crystal structure of the new perovskite Ca La2 Ca Ti2 O9 ( = (Ca1/3 La2/3)A (Ca1/3 Ti2/3)B O3) Solid State Sciences, 2003, 5, 745-749 |
| 1532542 | CIF | Cu0.174 Mn0.827 O3 | R -3 m :H | 9.5964; 9.5964; 2.6001 90; 90; 120 | 207.366 | Abakumov, A.M.; Mironov, A.V.; Govorov, V.A.; Lobanov, M.V.; Rozova, M.G.; van Tendeloo, G.; Lebedev, O.I.; Antipov, E.V. Synthesis and structural investigations on the new Sr1.32 Mn0.83 Cu0.17 O3 compound Solid State Sciences, 2003, 5, 1117-1125 |
| 1532545 | CIF | Sr1.32 | P -3 c 1 | 9.5964; 9.5964; 3.93007 90; 90; 120 | 313.435 | Abakumov, A.M.; Mironov, A.V.; Govorov, V.A.; Antipov, E.V.; Lebedev, O.I.; Rozova, M.G.; Lobanov, M.V.; van Tendeloo, G. Synthesis and structural investigations on thhe new Sr1.32 Mn0.83 Cu0.17 O3 compound Solid State Sciences, 2003, 5, 1117-1125 |
| 1532622 | CIF | Bi2 Ca Cd2 Nb4 O15 | A 21 a m | 5.2415; 5.2507; 40.3273 90; 90; 90 | 1109.87 | Craus, M.L.; Rusu, I.; Rusu, A. On some mixed oxides in the system Ca O - Cd O - Bi2 O3 - Nb2 O5. Cation distribution in a distorted Aurivillius structure Journal of Optoelectronics and Advanced Materials, 2003, 5, 653-656 |
| 1532623 | CIF | Ba12 Ca3 Mn6 Mo3 O36 | R -3 m :H | 5.8364; 5.8364; 28.87 90; 90; 120 | 851.662 | Creon, N.; Hervieu, M.; Michel, C.; Raveau, B.; Maignan, A. Cationic ordering in hexagonal perovskite derivatives: 12R-ordered polytype oxides, Ba12 Ca3 Mo3 Mn6 O36 and Ba12 In3 Mn9 O34.5 Solid State Sciences, 2003, 5, 243-248 |
| 1532624 | CIF | Ba12 In3 Mn9 O33.66 | R -3 m :H | 5.7382; 5.7382; 28.24 90; 90; 120 | 805.28 | Creon, N.; Maignan, A.; Michel, C.; Hervieu, M.; Raveau, B. Cationic ordering in hexagonal perovskite derivatives: 12R-ordered polytype oxides, Ba12 Ca3 Mo3 Mn6 O36 and Ba12 In3 Mn9 O34.5 Solid State Sciences, 2003, 5, 243-248 |
| 1532660 | CIF | C6 H16 F Ge10 N O20 | I 4/m | 9.271; 9.271; 14.349 90; 90; 90 | 1233.32 | Wang Yingxia; Song Jiaqing; Gies, H. The substitution of germanium for silicon in AST-type zeolite Solid State Sciences, 2003, 5, 1421-1433 |
| 1532691 | CIF | C2 H6 O10 Ti2 | C m c a | 15.494; 10.491; 9.7 90; 90; 90 | 1576.71 | Boudaren, C.; Bataille, T.; Auffredic, J.P.; Louer, D. Synthesis, structure determination from powder diffraction data and thermal behaviour of titanium(IV) oxalate (Ti2 O3 (H2 O)2) (C2 O4) * (H2 O) Solid State Sciences, 2003, 5, 175-182 |
| 1532695 | CIF | C2 H4 O9 Ti2 | C m c a | 15.436; 10.421; 9.692 90; 90; 90 | 1559.04 | Boudaren, C.; Auffredic, J.P.; Bataille, T.; Louer, D. Synthesis, structure determination from powder diffraction data and thermal behaviour of titanium(IV) oxalate (Ti2 O3 (H2 O)2) (C2 O4) * (H2 O) Solid State Sciences, 2003, 5, 175-182 |
| 1532705 | CIF | Ba2 Mg O6 Re | F m -3 m | 8.0847; 8.0847; 8.0847 90; 90; 90 | 528.435 | Bramnik, K.G.; Ehrenberg, H.; Dehn, J.K.; Fuess, H. Preparation, crystal structure and magnetic properties of double perovskites M2 Mg Re O6 (M = Ca, Sr, Ba) Solid State Sciences, 2003, 5, 235-241 |
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