Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1514359 | CIF | C217 H85 Cl23 Dy2 N24 O | P 1 21/c 1 | 16.6402; 27.6773; 39.7657 90; 90.466; 90 | 18313.7 | Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM Chemical Science, 2014, 5, 3214 |
| 1514360 | CIF | C136 H40 Cl4 Dy N12 O0 | C 1 2/c 1 | 22.5698; 15.6246; 24.1908 90; 96.681; 90 | 8472.8 | Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM Chemical Science, 2014, 5, 3214 |
| 1514361 | CIF | C220 H60 Cl8 Dy N12 O0 | P 1 21/c 1 | 19.3998; 28.3596; 24.7203 90; 90; 90 | 13600.4 | Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM Chemical Science, 2014, 5, 3214 |
| 1514376 | CIF | C25 H27 F18 N O2 W | P -1 | 15.3435; 17.6683; 21.002 65.712; 71.109; 68.54 | 4728 | Mougel, V.; Copéret, C. Magnitude and consequences of OR ligand σ-donation on alkene metathesis activity in d0 silica supported (SiO)W(NAr)(CHtBu)(OR) catalysts Chemical Science, 2014, 5, 2475 |
| 1514377 | CIF | C110 H134 Cl13 N8 O6 P | C 1 2/c 1 | 43.4252; 8.333; 36.214 90; 113.942; 90 | 11977 | Furuyama, Taniyuki; Yoshida, Takuya; Hashizume, Daisuke; Kobayashi, Nagao Phosphorus(v) tetraazaporphyrins: porphyrinoids showing an exceptionally strong CT band between the Soret and Q bands Chemical Science, 2014, 5, 2466 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
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