Crystallography Open Database
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Searching journal of publication like 'Faraday Discussions'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1501627 | CIF | C30 H40 In N3 O14 | P 42/m m c | 9.9532; 9.9532; 26.7005 90; 90; 90 | 2645.12 | Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange Faraday Discussions, 2011, 151, 19 |
| 1501628 | CIF | C32 H38 In N3 O12 | P 42/m m c | 9.9617; 9.9617; 26.747 90; 90; 90 | 2654.3 | Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange Faraday Discussions, 2011, 151, 19 |
| 1501629 | CIF | C30 H36 F4 In N3 O14 | I 41/a c d :2 | 19.807; 19.807; 53.454 90; 90; 90 | 20971 | Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange Faraday Discussions, 2011, 151, 19 |
| 1501630 | CIF | C34 H36 In N3 O12 | P 42/m m c | 9.9617; 9.9617; 26.747 90; 90; 90 | 2654.3 | Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange Faraday Discussions, 2011, 151, 19 |
| 1501645 | CIF | C17 H28 Cl Co N5 O7 P | P 1 21/n 1 | 8.2787; 12.8802; 21.4315 90; 94.937; 90 | 2276.8 | Lakadamyali, Fezile; Kato, Masaru; Reisner, Erwin Colloidal metal oxide particles loaded with synthetic catalysts for solar H2 production Faraday Discussions, 2012, 155, 191 |
| 1501646 | CIF | C26 H20 Cl N O4 | P 21 21 21 | 9.2173; 9.9916; 22.5665 90; 90; 90 | 2078.3 | Kotani, Hiroaki; Ohkubo, Kei; Fukuzumi, Shunichi Formation of a long-lived electron-transfer state of a naphthalene‒quinolinium ion dyad and the π-dimer radical cation Faraday Discussions, 2012, 155, 89 |
| 1507206 | CIF | C13 H19 N O5 | P 1 21/c 1 | 12.0463; 9.4802; 11.8853 90; 110.191; 90 | 1273.91 | Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R. Protic pharmaceutical ionic liquids and solids: Aspects of protonics Faraday Discussions, 2012, 154, 335 |
| 1507207 | CIF | C17 H23 N O3 | P -1 | 6.708; 9.3067; 12.7864 80.421; 76.338; 82.988 | 761.99 | Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R. Protic pharmaceutical ionic liquids and solids: Aspects of protonics Faraday Discussions, 2012, 154, 335 |
| 1507208 | CIF | C17 H23 N O2 | P 1 21/n 1 | 10.808; 6.5508; 21.104 90; 99.42; 90 | 1474 | Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R. Protic pharmaceutical ionic liquids and solids: Aspects of protonics Faraday Discussions, 2012, 154, 335 |
| 1507209 | CIF | C17 H23 N O4 | P 1 21/n 1 | 12.157; 6.9992; 17.778 90; 92.728; 90 | 1511 | Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R. Protic pharmaceutical ionic liquids and solids: Aspects of protonics Faraday Discussions, 2012, 154, 335 |
| 1507210 | CIF | C13 H19 N O3 | C 1 2/c 1 | 19.76; 11.178; 11.485 90; 95.28; 90 | 2526 | Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R. Protic pharmaceutical ionic liquids and solids: Aspects of protonics Faraday Discussions, 2012, 154, 335 |
| 1507211 | CIF | C14 H23 N O4 | P 1 21/n 1 | 10.165; 12.302; 11.254 90; 97.111; 90 | 1396.5 | Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R. Protic pharmaceutical ionic liquids and solids: Aspects of protonics Faraday Discussions, 2012, 154, 335 |
| 1507212 | CIF | C13 H19 N O4 | P 1 21/c 1 | 11.668; 9.365; 12.161 90; 107.29; 90 | 1268.8 | Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R. Protic pharmaceutical ionic liquids and solids: Aspects of protonics Faraday Discussions, 2012, 154, 335 |
| 1515891 | CIF | C201 H189 Cl18 F12 N8 O20 P8 Pd4 S4 | P 1 21/n 1 | 21.659; 23.21; 26.022 90; 100.67; 90 | 12855 | Eastoe, Julian; Fairlamb, Ian J. S.; Fernández-Hernández, Jesús M.; Filali, Emane; Jeffery, John C.; Lloyd-Jones, Guy C.; Martorell, Aina; Meadowcroft, Antony; Norrby, Per-Ola; Riis-Johannessen, Thomas; Sale, David A.; Tomlin, Paula M. Interrogation of a dynamic multi-catalyst ensemble in asymmetric catalysis Faraday Discussions, 2010, 145, 27 |
| 1515944 | CIF | C41.5 H29.5 N3 O2.75 | I 41/a :2 | 28.41; 28.41; 16.57 90; 90; 90 | 13374 | Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; Drew, Michael G. B.; Gan, Yu Recognition of sequence-information in synthetic copolymer chains by a conformationally-constrained tweezer molecule Faraday Discussions, 2009, 143, 205 |
| 1515945 | CIF | C74 H39 F6 N3 O8 | P -1 | 10.7436; 15.0043; 25.7202 81.728; 89.451; 73.073 | 3922.9 | Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; Drew, Michael G. B.; Gan, Yu Recognition of sequence-information in synthetic copolymer chains by a conformationally-constrained tweezer molecule Faraday Discussions, 2009, 143, 205 |
| 1515946 | CIF | C46 H27 N O4 | I b a 2 | 12.7723; 16.8766; 14.4195 90; 90; 90 | 3108.17 | Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; Drew, Michael G. B.; Gan, Yu Recognition of sequence-information in synthetic copolymer chains by a conformationally-constrained tweezer molecule Faraday Discussions, 2009, 143, 205 |
| 1516479 | CIF | C9 H8 O4 | P 1 21/c 1 | 11.233; 6.544; 11.231 90; 95.89; 90 | 821.2 | Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas In situ neutron diffraction studies of single crystals and powders during microwave irradiation Faraday Discussions, 2003, 122, 363-379 |
| 1516480 | CIF | C9 H8 O4 | P 1 21/c 1 | 11.233; 6.544; 11.231 90; 95.89; 90 | 821.2 | Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas In situ neutron diffraction studies of single crystals and powders during microwave irradiation Faraday Discussions, 2003, 122, 363-379 |
| 1516481 | CIF | C9 H8 O4 | P 1 21/c 1 | 11.233; 6.544; 11.231 90; 95.89; 90 | 821.2 | Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas In situ neutron diffraction studies of single crystals and powders during microwave irradiation Faraday Discussions, 2003, 122, 363-379 |
| 1516482 | CIF | C9 H8 O4 | P 1 21/c 1 | 11.233; 6.544; 11.231 90; 95.89; 90 | 821.2 | Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas In situ neutron diffraction studies of single crystals and powders during microwave irradiation Faraday Discussions, 2003, 122, 363-379 |
| 1516609 | CIF | C28 H18 F10 Ir N6 P | C 1 2/c 1 | 25.778; 15.759; 16.308 90; 105.245; 90 | 6392 | Henwood, Adam F.; Evariste, Sloane; Slawin, Alexandra M. Z.; Zysman-Colman, Eli Rigid biimidazole ancillary ligands as an avenue to bright deep blue cationic iridium(iii) complexes. Faraday discussions, 2014, 174, 165-182 |
| 1516610 | CIF | C36 H24 F10 Ir N6 P | P -1 | 9.1029; 12.8618; 15.38 69.58; 88.64; 71.81 | 1595.8 | Henwood, Adam F.; Evariste, Sloane; Slawin, Alexandra M. Z.; Zysman-Colman, Eli Rigid biimidazole ancillary ligands as an avenue to bright deep blue cationic iridium(iii) complexes. Faraday discussions, 2014, 174, 165-182 |
| 1516728 | CIF | C17 H14 Cu2 I2 N P | P -1 | 7.9805; 8.5298; 14.3667 78.092; 85.576; 86.494 | 953.05 | Maini, Lucia; Mazzeo, Paolo P.; Farinella, Francesco; Fattori, Valeria; Braga, Dario Mechanochemical preparation of copper iodide clusters of interest for luminescent devices. Faraday discussions, 2014, 170, 93-107 |
| 1516729 | CIF | C51 H42 Cu I N3 P3 | P -3 | 13.64705; 13.64705; 14.73999 90; 90; 120 | 2377.42 | Maini, Lucia; Mazzeo, Paolo P.; Farinella, Francesco; Fattori, Valeria; Braga, Dario Mechanochemical preparation of copper iodide clusters of interest for luminescent devices. Faraday discussions, 2014, 170, 93-107 |
| 1516730 | CIF | C34 H28 Cu4 I4 N2 P2 | P 1 21/c 1 | 16.7222; 13.9164; 16.4466 90; 99.688; 90 | 3772.75 | Maini, Lucia; Mazzeo, Paolo P.; Farinella, Francesco; Fattori, Valeria; Braga, Dario Mechanochemical preparation of copper iodide clusters of interest for luminescent devices. Faraday discussions, 2014, 170, 93-107 |
| 1517077 | CIF | C270.75 H371 Cd18 Cl8 N18 O105.92 Tb6 | P -3 | 51.114; 51.114; 24.362 90; 90; 120 | 55122 | Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J. FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications Faraday Discussions, 2014 |
| 1517078 | CIF | C360 H464 Cd24 Ho8 N24 O144 | F d d d :2 | 54.777; 62.244; 79.935 90; 90; 90 | 272542 | Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J. FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications Faraday Discussions, 2014 |
| 1517079 | CIF | C268.5 H369.5 Cd18 Cl10 Lu6 N18 O101.5 | C 1 2/c 1 | 41.871; 22.803; 47.322 90; 112.91; 90 | 41618 | Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J. FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications Faraday Discussions, 2014 |
| 1517080 | CIF | C273.75 H384.5 Cd18 Cl8 Eu6 N18 O109.67 | P -3 | 51.304; 51.304; 24.418 90; 90; 120 | 55660 | Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J. FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications Faraday Discussions, 2014 |
| 1517984 | CIF | C12 H9 B F4 I N O2 | C 1 2/c 1 | 16.725; 10.562; 16.707 90; 111.932; 90 | 2738 | Stevenson, K. J.; Veneman, P. A.; Gearba, R. I.; Mueller, K. M.; Holliday, B. J.; Ohta, T.; Chan, C. K. Controlled covalent modification of epitaxial single layer graphene on 6H-SiC (0001) with aryliodonium salts using electrochemical methods. Faraday discussions, 2014, 172, 273-291 |
| 1518122 | CIF | C28 H39 Br O4 | P 1 21/c 1 | 9.3571; 16.7917; 17.242 90; 101.238; 90 | 2657.1 | Ghiggino, Kenneth P.; Tilley, Andrew J.; Robotham, Benjamin; White, Jonathan M. Excited state dynamics of organic semi-conducting materials. Faraday discussions, 2015, 177, 111-119 |
| 1518310 | CIF | C12 H28 Ba3 O26 | I 1 2/a 1 | 13.4109; 16.2568; 27.9028 90; 98.984; 90 | 6008.7 | Boon, Matthew P.; Freeman, Sandra; Ogden, Mark I.; Oliveira, Allan; Richmond, William R.; Skelton, Brian W.; Jones, Franca The many roles of mellitic acid during barium sulfate crystallization. Faraday discussions, 2015, 179, 343-357 |
| 1518369 | CIF | C129 H67 Cl12 N | P 1 21/n 1 | 17.6085; 14.6572; 36.079 90; 95.66; 90 | 9266.3 | Kratzer, Andreas; Englert, Jan M.; Lungerich, Dominik; Heinemann, Frank W.; Jux, Norbert; Hirsch, Andreas Synthesis and first X-ray structure of a hexa-peri-hexabenzocoronene-fullerene-dyad: a model for an inter-carbon-allotrope hybrid. Faraday discussions, 2014, 173, 297-310 |
| 1518370 | CIF | C65 H82 Cl2 O10 | C 1 2/c 1 | 27.352; 10.715; 24.122 90; 121.948; 90 | 5998.8 | Elsler, B.; Schollmeyer, D.; Waldvogel, S. R. Synthesis of iodobiaryls and dibenzofurans by direct coupling at BDD anodes. Faraday discussions, 2014, 172, 413-420 |
| 1518537 | CIF | C22 H23 Cl3 N4 O2 | P -1 | 7.4245; 13.2237; 24.7183 96.898; 96.177; 90.664 | 2394.5 | Fours, Baptiste; Cartigny, Yohann; Petit, Samuel; Coquerel, Gérard Formation of new polymorphs without any nucleation step. Desolvation of the rimonabant monohydrate: directional crystallisation concomitant to smooth dehydration. Faraday discussions, 2015, 179, 475-488 |
| 1520499 | CIF | C37.35 H42.46 Cl2 N6 O3.88 Ru | P -1 | 10.4996; 13.3012; 13.4802 80.434; 82.981; 86.221 | 1840.52 | Tong, Lianpeng; Zong, Ruifa; Zhou, Rongwei; Kaveevivitchai, Nattawut; Zhang, Gang; Thummel, Randolph P. Ruthenium catalysts for water oxidation involving tetradentate polypyridine-type ligands. Faraday discussions, 2015, 185, 87-104 |
| 1520961 | CIF | C45 H27 B Cl8 F8 Ir N4 | P 1 21/n 1 | 9.2828; 22.6451; 24.351 90; 97.192; 90 | 5078.5 | Monti, Filippo; Baschieri, Andrea; Matteucci, Elia; Mazzanti, Andrea; Sambri, Letizia; Barbieri, Andrea; Armaroli, Nicola A chelating diisocyanide ligand for cyclometalated Ir(iii) complexes with strong and tunable luminescence. Faraday discussions, 2015, 185, 233-248 |
| 1540587 | CIF | Co2.581 F6 Mn0.419 O6 Sb4 | I -4 3 m | 8.1809; 8.1809; 8.1809 90; 90; 90 | 547.524 | Svengren, H.; Torapava, N.; Athanassiadis, I.; Ali, S. I.; Johnsson, M. A transition metal oxofluoride offering advantages in electrocatalysis and potential use in applications. Faraday discussions, 2016, 188, 481-498 |
| 1542986 | CIF | C342 H428 Cd24 Cl7 N24 Nd8 O128 | P n a 21 | 54.734; 27.619; 35.243 90; 90; 90 | 53277 | Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming Anisotropic lanthanide-based nano-clusters for imaging applications. Faraday discussions, 2016, 191, 465 |
| 1542987 | CIF | C342 H428 Cd24 Cl7 N24 O128 Tb8 | P n a 21 | 54.106; 27.127; 34.876 90; 90; 90 | 51189 | Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming Anisotropic lanthanide-based nano-clusters for imaging applications. Faraday discussions, 2016, 191, 465 |
| 1542988 | CIF | C56 H50 Br4 N8 Nd2 Ni4 O51.5 | P 1 21/c 1 | 15.462; 19.156; 19.871 90; 107.63; 90 | 5609 | Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming Anisotropic lanthanide-based nano-clusters for imaging applications. Faraday discussions, 2016, 191, 465 |
| 1543715 | CIF | C16 H15 Au Cl N O | P 1 21/c 1 | 10.0233; 7.3836; 20.4729 90; 93.2347; 90 | 1512.75 | Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases. Faraday discussions, 2017, 196, 269-283 |
| 1543716 | CIF | C17 H17 Au Cl N O | P -1 | 10.2724; 13.7308; 14.1704 61.476; 71; 69.885 | 1617.15 | Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases. Faraday discussions, 2017, 196, 269-283 |
| 1543717 | CIF | C18 H19 Au Cl N O | P 1 21/c 1 | 35.545; 7.0033; 6.8729 90; 92.118; 90 | 1709.7 | Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases. Faraday discussions, 2017, 196, 269-283 |
| 1543718 | CIF | C19 H21 Au Cl N O | C 1 2/c 1 | 76.128; 7.0364; 6.8648 90; 91.305; 90 | 3676.3 | Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases. Faraday discussions, 2017, 196, 269-283 |
| 1543719 | CIF | C20 H23 Au Cl N O | C 1 2/c 1 | 78.931; 7.0341; 6.8739 90; 91.828; 90 | 3814.5 | Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases. Faraday discussions, 2017, 196, 269-283 |
| 1543720 | CIF | C21 H25 Au Cl N O | P 1 21/c 1 | 42.33; 7.082; 6.912 90; 91.738; 90 | 2071.1 | Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases. Faraday discussions, 2017, 196, 269-283 |
| 1543731 | CIF | C14 H13 N3 | P -1 | 10.8613; 13.0319; 26.5818 89.75; 82.163; 72.238 | 3546.9 | Nitti, Andrea; Villafiorita-Monteleone, Francesca; Pacini, Aurora; Botta, Chiara; Virgili, Tersilla; Forni, Alessandra; Cariati, Elena; Boiocchi, Massimo; Pasini, Dario Structure-activity relationship for the solid state emission of a new family of "push-pull"π-extended chromophores. Faraday discussions, 2017, 196, 143-161 |
| 1543732 | CIF | C18 H14 N2 O2 | C 1 2/c 1 | 17.518; 8.6661; 10.772 90; 110.164; 90 | 1535.1 | Nitti, Andrea; Villafiorita-Monteleone, Francesca; Pacini, Aurora; Botta, Chiara; Virgili, Tersilla; Forni, Alessandra; Cariati, Elena; Boiocchi, Massimo; Pasini, Dario Structure-activity relationship for the solid state emission of a new family of "push-pull"π-extended chromophores. Faraday discussions, 2017, 196, 143-161 |
| 1543746 | CIF | C35 H40 B2 O4 | P -1 | 6.3523; 8.0207; 16.3894 92.3795; 95.9413; 110.114 | 777.24 | Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric Probing the nature of peripheral boryl groups within luminescent tellurophenes. Faraday discussions, 2017, 196, 255-268 |
| 1543747 | CIF | C50 H92 B2 N4 O6 Te | C 1 2/c 1 | 18.8131; 11.1794; 26.4236 90; 93.0441; 90 | 5549.55 | Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric Probing the nature of peripheral boryl groups within luminescent tellurophenes. Faraday discussions, 2017, 196, 255-268 |
| 1543748 | CIF | C31 H52 B2 N2 O4 Te | P 1 21/c 1 | 10.3086; 15.0795; 21.3795 90; 93.2679; 90 | 3318.01 | Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric Probing the nature of peripheral boryl groups within luminescent tellurophenes. Faraday discussions, 2017, 196, 255-268 |
| 1543754 | CIF | C32 H20 N2 | C 1 2/c 1 | 46.53; 6.7629; 7.2639 90; 97.22; 90 | 2267.7 | Liu, Liqun; Wang, Kai; Deng, Jian; Zhang, Zhe; Wang, Yan; Ma, Yuguang Restorable piezochromism phenomenon in an AIE molecular crystal: combined synchronous Raman scattering. Faraday discussions, 2017, 196, 415-426 |
| 1543879 | CIF | C20 H10 F3 I3 N | P 1 21/c 1 | 8.6902; 13.87; 17.377 90; 102.8; 90 | 2042.5 | Liu, Yingjie; Ma, Suqian; Xu, Bin; Tian, Wenjing Construction and function of a highly efficient supramolecular luminescent system. Faraday discussions, 2017, 196, 219-229 |
| 1543880 | CIF | C40 H20 F6 I6 N2 | P -1 | 5.142; 12.724; 16.436 109.15; 96; 93.79 | 1004.5 | Liu, Yingjie; Ma, Suqian; Xu, Bin; Tian, Wenjing Construction and function of a highly efficient supramolecular luminescent system. Faraday discussions, 2017, 196, 219-229 |
| 1543895 | CIF | C12 H12 N2 O3 | P 1 21/n 1 | 10.531; 15.6321; 13.7351 90; 94.071; 90 | 2255.4 | Gupta, Vinod Kumar; Singh, Ram Adhar Aggregation-induced enhanced green light emission from a simple donor-π-acceptor (D-π-A) material: a structure-property relationship study. Faraday discussions, 2017, 196, 131-142 |
| 1543896 | CIF | C11 H10 N2 O2 | P 1 21/c 1 | 3.9225; 10.7762; 23.142 90; 93.453; 90 | 976.43 | Gupta, Vinod Kumar; Singh, Ram Adhar Aggregation-induced enhanced green light emission from a simple donor-π-acceptor (D-π-A) material: a structure-property relationship study. Faraday discussions, 2017, 196, 131-142 |
| 1545578 | CIF | C11 H16 Br3 F N2 | P 1 21/m 1 | 5.6232; 22.4248; 5.8554 90; 93.3206; 90 | 737.12 | Rosokha, Sergiy V. Electron-transfer reactions of halogenated electrophiles: a different look into the nature of halogen bonding Faraday Discussions, 2017, 203, 315-332 |
| 1545579 | CIF | C18 H24 Br12 N6 O4 | P 1 21/c 1 | 14.0422; 5.9462; 20.4996 90; 93.4347; 90 | 1708.6 | Rosokha, Sergiy V. Electron-transfer reactions of halogenated electrophiles: a different look into the nature of halogen bonding Faraday Discussions, 2017, 203, 315-332 |
| 1548750 | CIF | C79.511 N0 O30.762 Pd0.546 Zr6 | F m -3 m | 26.79861; 26.79861; 26.79861 90; 90; 90 | 19245.8 | Bugaev, A. L.; Guda, Alexander A.; Lomachenko, Kirill A.; Kamyshova, Elizaveta G.; Soldatov, Mikhail A.; Kaur, Gurpreet; Øien-Ødegaard, Sigurd; Braglia, Luca; Lazzarini, Andrea; Manzoli, Maela; Bordiga, Silvia; Olsbye, Unni; Lillerud, Karl P.; Soldatov, Alexander V.; Lamberti, Carlo Operando study of palladium nanoparticles inside UiO-67 MOF for catalytic hydrogenation of hydrocarbons. Faraday discussions, 2018, 208, 287-306 |
| 1549248 | CIF | C57 H60 Cl2 N12 | P 1 21/n 1 | 16.565; 10.745; 31.067 90; 92.088; 90 | 5526 | McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage Faraday Discussions, 2018 |
| 1549249 | CIF | C65 H69 Cl3 N12 | P 21 21 21 | 10.654; 23.151; 25.363 90; 90; 90 | 6256 | McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage Faraday Discussions, 2018 |
| 1549250 | CIF | C103.75 H111.5 Cl15.5 N24 | R 3 | 21.3987; 21.3987; 21.3164 90; 90; 120 | 8453.2 | McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage Faraday Discussions, 2018 |
| 1549251 | CIF | C106 H96 Cl40 N24 | F 2 3 | 24.3478; 24.3478; 24.3478 90; 90; 90 | 14433.7 | McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage Faraday Discussions, 2018 |
| 1549252 | CIF | C107.33 H107.33 Cl33.97 N24 | P -1 | 17.1487; 18.3913; 24.7171 73.378; 72.98; 76.7 | 7050.9 | McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage Faraday Discussions, 2018 |
| 1549372 | CIF | C12 H9 N3 O2 S | P 1 21 1 | 10.77117; 11.01902; 11.43023 90; 117.742; 90 | 1200.68 | Tan, Melissa; Shtukenberg, Alexander G.; Zhu, Shengcai; Xu, Wenqian; Dooryhee, Eric; Nichols, Shane M.; Ward, Michael D.; Kahr, Bart; Zhu, Qiang ROY revisited, again: the eighth solved structure. Faraday discussions, 2018, 211, 477-491 |
| 1549732 | CIF | C22 H23 Cl N2 O2 | C 1 2/c 1 | 27.997; 4.918; 28.971 90; 108.987; 90 | 3772 | Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J. The importance of configurational disorder in crystal structure prediction: the case of loratadine. Faraday discussions, 2018, 211, 209-234 |
| 1549733 | CIF | C22 H23 Cl N2 O2 | C 1 2/c 1 | 35.652; 5.206; 22.743 90; 117.418; 90 | 3747 | Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J. The importance of configurational disorder in crystal structure prediction: the case of loratadine. Faraday discussions, 2018, 211, 209-234 |
| 1549734 | CIF | C22 H23 Cl N2 O2 | C 1 2/c 1 | 27.844; 4.867; 28.892 90; 108.98; 90 | 3702 | Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J. The importance of configurational disorder in crystal structure prediction: the case of loratadine. Faraday discussions, 2018, 211, 209-234 |
| 1549735 | CIF | C22 H23 Cl N2 O2 | C 1 2/c 1 | 28.502; 5.051; 29.231 90; 109.51; 90 | 3967 | Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J. The importance of configurational disorder in crystal structure prediction: the case of loratadine. Faraday discussions, 2018, 211, 209-234 |
| 1549736 | CIF | C22 H23 Cl N2 O2 | C 1 2/c 1 | 28.301; 4.998; 29.154 90; 109.217; 90 | 3894 | Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J. The importance of configurational disorder in crystal structure prediction: the case of loratadine. Faraday discussions, 2018, 211, 209-234 |
| 1549737 | CIF | C22 H23 Cl N2 O2 | C 1 2/c 1 | 28.201; 4.972; 29.106 90; 109.077; 90 | 3857 | Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J. The importance of configurational disorder in crystal structure prediction: the case of loratadine. Faraday discussions, 2018, 211, 209-234 |
| 1549738 | CIF | C22 H23 Cl N2 O2 | C 1 2/c 1 | 27.906; 4.886; 28.927 90; 109.016; 90 | 3728.9 | Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J. The importance of configurational disorder in crystal structure prediction: the case of loratadine. Faraday discussions, 2018, 211, 209-234 |
| 1550310 | CIF | C23 H56 F3 N2 O3 P4 Rh S | P 1 21/n 1 | 10.1497; 11.3546; 29.0077 90; 95.69; 90 | 3326.5 | Walsh, Aaron P.; Laureanti, Joseph A.; Katipamula, Sriram; Chambers, Geoffrey M.; Priyadarshani, Nilusha; Lense, Sheri; Bays, J. Timothy; Linehan, John C.; Shaw, Wendy J. Evaluating the impacts of amino acids in the second and outer coordination spheres of Rh-bis(diphosphine) complexes for CO<sub>2</sub> hydrogenation. Faraday discussions, 2019, 215, 123-140 |
| 1550432 | CIF | C65.56 H77.12 B2 Cl7.12 F8 N2 O8.38 P4 Pd0.98 | C 1 2/c 1 | 24.9341; 15.1575; 22.1525 90; 114.583; 90 | 7613.4 | Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis. Faraday discussions, 2019, 215, 141-161 |
| 1550433 | CIF | C35 H30 Cl3 F6 N O4.4 P3 Pd | P 1 21/n 1 | 12.3522; 26.1118; 13.6448 90; 113.138; 90 | 4046.96 | Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis. Faraday discussions, 2019, 215, 141-161 |
| 1550434 | CIF | C33 H38 Cl2 N2 O4 P2 Pd | P 1 21/n 1 | 12.9976; 18.6574; 14.6755 90; 105.169; 90 | 3434.83 | Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis. Faraday discussions, 2019, 215, 141-161 |
| 1550435 | CIF | C35 H41 Cl8 N Ni O4 P2 | P 1 21/c 1 | 11.7989; 15.5485; 23.5593 90; 101.232; 90 | 4239.29 | Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis. Faraday discussions, 2019, 215, 141-161 |
| 1550436 | CIF | C33 H38 Cl2 N2 Ni O4 P2 | P 1 21/n 1 | 12.8814; 18.6698; 14.5746 90; 105.006; 90 | 3385.56 | Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis. Faraday discussions, 2019, 215, 141-161 |
| 1550951 | CIF | C32 H46 N2 Ru2 | C 1 2/c 1 | 19.752; 8.4978; 34.8959 90; 101.384; 90 | 5742 | Takao, Toshihiro; Kawashima, Takashi; Nagae, Ryo; Kanda, Hideyuki; Watanabe, Wataru Diruthenium Complexes Having a Partially Hydrogenated Bipyridine Ligand: Plausible Mechanism for the Dehydrogenative Coupling of Pyridines at a Diruthenium Site Faraday Discussions, 2019 |
| 1550952 | CIF | C37 H47 F6 N3 Ru2 | P -1 | 10.3925; 11.225; 17.5502 86.627; 86.435; 63.919 | 1834.17 | Takao, Toshihiro; Kawashima, Takashi; Nagae, Ryo; Kanda, Hideyuki; Watanabe, Wataru Diruthenium Complexes Having a Partially Hydrogenated Bipyridine Ligand: Plausible Mechanism for the Dehydrogenative Coupling of Pyridines at a Diruthenium Site Faraday Discussions, 2019 |
| 1550953 | CIF | C32 H42 N2 Ru2 | C 1 2/c 1 | 21.875; 17.503; 16.448 90; 112.87; 90 | 5802.5 | Takao, Toshihiro; Kawashima, Takashi; Nagae, Ryo; Kanda, Hideyuki; Watanabe, Wataru Diruthenium Complexes Having a Partially Hydrogenated Bipyridine Ligand: Plausible Mechanism for the Dehydrogenative Coupling of Pyridines at a Diruthenium Site Faraday Discussions, 2019 |
| 1550954 | CIF | C36 H48 N2 O4 Ru2 | P n m a | 16.0588; 19.8061; 10.6735 90; 90; 90 | 3394.84 | Takao, Toshihiro; Kawashima, Takashi; Nagae, Ryo; Kanda, Hideyuki; Watanabe, Wataru Diruthenium Complexes Having a Partially Hydrogenated Bipyridine Ligand: Plausible Mechanism for the Dehydrogenative Coupling of Pyridines at a Diruthenium Site Faraday Discussions, 2019 |
| 1550955 | CIF | C32 H40 N2 Ru2 | P -1 | 10.8926; 16.1224; 16.4294 89.244; 78.917; 77.643 | 2764.7 | Takao, Toshihiro; Kawashima, Takashi; Nagae, Ryo; Kanda, Hideyuki; Watanabe, Wataru Diruthenium Complexes Having a Partially Hydrogenated Bipyridine Ligand: Plausible Mechanism for the Dehydrogenative Coupling of Pyridines at a Diruthenium Site Faraday Discussions, 2019 |
| 1551012 | CIF | C21 H19 F6 N4 P Ru | C 1 2/c 1 | 10.983; 17.28; 22.513 90; 93.032; 90 | 4267 | Tashima, Naoto; Ohta, Satomi; Kuwata, Shigeki Metal‒ligand cooperative C-O bond cleavage of propargylic alcohol with protic pyrazole complexes of ruthenium Faraday Discussions, 2019 |
| 1551013 | CIF | C21 H19 F6 N4 P Ru | P 1 21/n 1 | 10.228; 22.249; 10.582 90; 115.87; 90 | 2166.7 | Tashima, Naoto; Ohta, Satomi; Kuwata, Shigeki Metal‒ligand cooperative C-O bond cleavage of propargylic alcohol with protic pyrazole complexes of ruthenium Faraday Discussions, 2019 |
| 1551014 | CIF | C28 H35 F6 N4 O P Ru | P 1 21/c 1 | 12.954; 12.142; 19.276 90; 95.588; 90 | 3017 | Tashima, Naoto; Ohta, Satomi; Kuwata, Shigeki Metal‒ligand cooperative C-O bond cleavage of propargylic alcohol with protic pyrazole complexes of ruthenium Faraday Discussions, 2019 |
| 1551015 | CIF | C25 H21 B F7 N3 Ru | P 1 21/c 1 | 8.3496; 18.179; 16.009 90; 99.636; 90 | 2395.7 | Tashima, Naoto; Ohta, Satomi; Kuwata, Shigeki Metal‒ligand cooperative C-O bond cleavage of propargylic alcohol with protic pyrazole complexes of ruthenium Faraday Discussions, 2019 |
| 1551016 | CIF | C31 H26 F3 N3 O3 Ru S | P -1 | 10.0589; 16.366; 19.544 65.342; 82.687; 81.397 | 2883.6 | Tashima, Naoto; Ohta, Satomi; Kuwata, Shigeki Metal‒ligand cooperative C-O bond cleavage of propargylic alcohol with protic pyrazole complexes of ruthenium Faraday Discussions, 2019 |
| 1551195 | CIF | C20 H23 Cl N2 O Ru | P 1 21/c 1 | 16.35; 7.9427; 14.551 90; 102.037; 90 | 1848.1 | Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control. Faraday Discussions, 2019 |
| 1551196 | CIF | C19 H20 Cl F N2 Ru | P 1 21/n 1 | 7.8975; 12.039; 18.458 90; 98.777; 90 | 1734.4 | Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control. Faraday Discussions, 2019 |
| 1551197 | CIF | C20 H20 Cl F3 N2 Ru | P -1 | 7.9136; 10.349; 11.554 96.208; 95.953; 91.935 | 934.7 | Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control. Faraday Discussions, 2019 |
| 1551198 | CIF | C19 H20 Cl F N2 Ru | P 1 21/c 1 | 16.227; 7.9265; 14.503 90; 111.776; 90 | 1732.3 | Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control. Faraday Discussions, 2019 |
| 1551199 | CIF | C19 H20 Cl N3 O2 Ru | P -1 | 7.846; 10.387; 11.278 98.23; 96.173; 91.436 | 903.6 | Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control. Faraday Discussions, 2019 |
| 1551290 | CIF | C15 H28 B F N2 O2 | R 3 c :H | 24.782; 24.782; 14.217 90; 90; 120 | 7562 | Kuehn, Laura; Stang, Martin; Würtemberger-Pietsch, Sabrina; Friedrich, Alexandra; Schneider, Heidi; Radius, Udo; Marder, Todd B. FBpin and its Adducts and their Role in Catalytic Borylations Faraday Discussions, 2019 |
| 1551895 | CIF | C64 H54 Cl F3 N2 O4 Os P4 S | P 1 21/n 1 | 11.2054; 28.504; 18.0588 90; 91.329; 90 | 5766.4 | Chung, Lai-Hon; Yeung, Chi-Fung; Shek, Hau-Lam; Wong, Chun-Yuen Isolation of C3-Metalated Indolizine Complex and Phosphonium Ring-Fused Bicyclic Metallafuran from Osmium-Induced Transformation of Pyridine-Tethered Alkynes Faraday Discussions, 2019 |
| 1551896 | CIF | C64 H54 Cl F3 N2 O4 Os P4 S | P 1 21/n 1 | 11.215; 28.5467; 18.0657 90; 91.401; 90 | 5782 | Chung, Lai-Hon; Yeung, Chi-Fung; Shek, Hau-Lam; Wong, Chun-Yuen Isolation of C3-Metalated Indolizine Complex and Phosphonium Ring-Fused Bicyclic Metallafuran from Osmium-Induced Transformation of Pyridine-Tethered Alkynes Faraday Discussions, 2019 |
| 1551897 | CIF | C60 H53 Cl6 N O5 Os P4 | P 1 21 1 | 11.803; 16.4826; 15.1932 90; 96.418; 90 | 2937.22 | Chung, Lai-Hon; Yeung, Chi-Fung; Shek, Hau-Lam; Wong, Chun-Yuen Isolation of C3-Metalated Indolizine Complex and Phosphonium Ring-Fused Bicyclic Metallafuran from Osmium-Induced Transformation of Pyridine-Tethered Alkynes Faraday Discussions, 2019 |
| 1552342 | CIF | C21 H17 F3 Ge | P 1 21/c 1 | 21.1522; 9.1254; 19.5533 90; 107.649; 90 | 3596.6 | Talavera, Maria; Müller, Robert; Ahrens, Theresia; von Hahmann, Cortney N.; Braun-Cula, Beatrice; Kaupp, Martin; Braun, Thomas Activation of tetrafluoropropenes by rhodium(i) germyl and silyl complexes Faraday Discussions, 2019 |
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