Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1549255 | CIF | C24 H49 Ir N2 P2 | P 1 21/c 1 | 11.0958; 15.4511; 16.0856 90; 100.56; 90 | 2711 | Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state. Chemical science, 2018, 9, 4325-4332 |
| 1549256 | CIF | C25 H49 Ir N2 O2 P2 | P 1 21/m 1 | 7.9728; 21.7175; 8.7383 90; 113.559; 90 | 1386.92 | Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state. Chemical science, 2018, 9, 4325-4332 |
| 1549257 | CIF | C28 H76 B2 O2 Pb Si8 | C 1 2/c 1 | 25.147; 18.137; 23.271 90; 118.845; 90 | 9297 | Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann Stable lead(ii) boroxides. Chemical communications (Cambridge, England), 2018, 54, 5299-5302 |
| 1549258 | CIF | C28 H76 B2 O2 Si8 Sn | C 1 2/c 1 | 25.1738; 18.1907; 24.6824 90; 123.917; 90 | 9379.6 | Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann Stable lead(ii) boroxides. Chemical communications (Cambridge, England), 2018, 54, 5299-5302 |
| 1549259 | CIF | C18 H6 F36 O7 Pb4 | P 1 21/c 1 | 18.87; 10.1801; 19.4987 90; 90.176; 90 | 3745.7 | Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann Stable lead(ii) boroxides. Chemical communications (Cambridge, England), 2018, 54, 5299-5302 |
| 1549260 | CIF | C15 H30 N2 Pb Si2 | P -1 | 8.9054; 10.6022; 12.4223 103.574; 110.985; 103.843 | 994.7 | Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann Stable lead(ii) boroxides. Chemical communications (Cambridge, England), 2018, 54, 5299-5302 |
| 1549261 | CIF | C23 H50 B N O Pb Si4 | P 1 21/n 1 | 9.1319; 18.6282; 18.929 90; 102.613; 90 | 3142.3 | Someşan, Adrian-Alexandru; Le Coz, Erwann; Roisnel, Thierry; Silvestru, Cristian; Sarazin, Yann Stable lead(ii) boroxides. Chemical communications (Cambridge, England), 2018, 54, 5299-5302 |
| 1549262 | CIF | C24 H106 Ca Cu6 N6 O66 | P 63 | 17.8904; 17.8904; 12.7999 90; 90; 120 | 3547.9 | Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes Materials Horizons, 2018, 5, 683 |
| 1549263 | CIF | C48.4 H80.2 Ca Cu6 N11 O37.6 | P 63 | 17.9504; 17.9504; 12.5603 90; 90; 120 | 3504.9 | Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes Materials Horizons, 2018, 5, 683 |
| 1549264 | CIF | C42 H83 Ca Cu6 N9 O54 | P 63 | 17.9607; 17.9607; 12.6765 90; 90; 120 | 3541.4 | Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes Materials Horizons, 2018, 5, 683 |
| 1549265 | CIF | C42 H89 Ca Cu6 N9 O51 | P 63 | 17.9035; 17.9035; 12.6421 90; 90; 120 | 3509.3 | Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes Materials Horizons, 2018, 5, 683 |
| 1549266 | CIF | C37 H90 Ca Cl Cu6 N7 O50 | P 63 | 17.997; 17.997; 12.861 90; 90; 120 | 3607.5 | Mon, Marta; Bruno, Rosaria; Ferrando-Soria, Jesús; Bartella, Lucia; Di Donna, Leonardo; Talia, Marianna; Lappano, Rosamaria; Maggiolini, Marcello; Armentano, Donatella; Pardo, Emilio Crystallographic snapshots of host‒guest interactions in drugs@metal‒organic frameworks: towards mimicking molecular recognition processes Materials Horizons, 2018, 5, 683 |
| 1549267 | CIF | C26 H15 N5 O | P -1 | 9.3241; 9.5329; 12.0593 83.218; 66.653; 80.098 | 967.99 | Ostrowska, Katarzyna; Ceresoli, Davide; Stadnicka, Katarzyna; Gryl, Marlena; Cazzaniga, Marco; Soave, Raffaella; Musielak, Bogdan; Witek, Łukasz J.; Goszczycki, Piotr; Grolik, Jarosław; Turek, Andrzej M. π–π-Induced aggregation and single-crystal fluorescence anisotropy of 5,6,10b-triazaacephenanthrylene IUCrJ, 2018, 5 |
| 1549268 | CIF | C26 H15 N5 O | P -1 | 9.2504; 9.4009; 11.9245 84.147; 67.347; 81.113 | 944.47 | Ostrowska, Katarzyna; Ceresoli, Davide; Stadnicka, Katarzyna; Gryl, Marlena; Cazzaniga, Marco; Soave, Raffaella; Musielak, Bogdan; Witek, Łukasz J.; Goszczycki, Piotr; Grolik, Jarosław; Turek, Andrzej M. π–π-Induced aggregation and single-crystal fluorescence anisotropy of 5,6,10b-triazaacephenanthrylene IUCrJ, 2018, 5 |
| 1549269 | CIF | C28 H33 Br N2 O3 | P 1 21 1 | 5.4738; 16.81; 14.183 90; 95.627; 90 | 1298.8 | Hu, Qiupeng; Kondoh, Azusa; Terada, Masahiro Enantioselective direct Mannich-type reactions of 2-benzylpyridine N-oxides catalyzed by chiral bis(guanidino)iminophosphorane organosuperbase. Chemical science, 2018, 9, 4348-4351 |
| 1549270 | CIF | C32 H33 N O3 | P 31 2 1 | 12.0961; 12.0961; 30.6664 90; 90; 120 | 3885.8 | Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L. Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations. Chemical science, 2018, 9, 4644-4649 |
| 1549271 | CIF | C32 H33 N O3 | P 1 21 1 | 10.2041; 12.0967; 10.8841 90; 109.609; 90 | 1265.57 | Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L. Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations. Chemical science, 2018, 9, 4644-4649 |
| 1549272 | CIF | C H7.89 N O7.45 P V | P -1 | 6.3844; 7.2278; 9.2965 67.26; 72.927; 85.848 | 377.8 | C. Kouvatas; V. Alonzo; T. Bataille; L. Le Polles; C. Roiland; G. Louarn; E. Le Fur Synthesis, crystal structure of the ammonium vanadyl oxalatophosphite and its controlled conversion into catalytic vanadyl phosphates Journal of Solid State Chemistry, 2017, 253, 73-77 |
| 1549273 | CIF | C45 H58 Cl4 Cu2 O4 P4 | P 21 21 21 | 10.5101; 20.6596; 22.4637 90; 90; 90 | 4877.6 | Zatolochnaya, Olga V.; Rodríguez, Sonia; Zhang, Yongda; Lao, Kendricks S.; Tcyrulnikov, Sergei; Li, Guisheng; Wang, Xiao-Jun; Qu, Bo; Biswas, Soumik; Mangunuru, Hari P. R.; Rivalti, Daniel; Sieber, Joshua D.; Desrosiers, Jean-Nicolas; Leung, Joyce C.; Grinberg, Nelu; Lee, Heewon; Haddad, Nizar; Yee, Nathan K.; Song, Jinhua J.; Kozlowski, Marisa C.; Senanayake, Chris H. Copper-catalyzed asymmetric hydrogenation of 2-substituted ketones <i>via</i> dynamic kinetic resolution. Chemical science, 2018, 9, 4505-4510 |
| 1549274 | CIF | C64 H92 Cl2 Cu2 N4 O4 P4 | P 21 21 21 | 13.69; 16.8264; 30.4315 90; 90; 90 | 7010 | Zatolochnaya, Olga V.; Rodríguez, Sonia; Zhang, Yongda; Lao, Kendricks S.; Tcyrulnikov, Sergei; Li, Guisheng; Wang, Xiao-Jun; Qu, Bo; Biswas, Soumik; Mangunuru, Hari P. R.; Rivalti, Daniel; Sieber, Joshua D.; Desrosiers, Jean-Nicolas; Leung, Joyce C.; Grinberg, Nelu; Lee, Heewon; Haddad, Nizar; Yee, Nathan K.; Song, Jinhua J.; Kozlowski, Marisa C.; Senanayake, Chris H. Copper-catalyzed asymmetric hydrogenation of 2-substituted ketones <i>via</i> dynamic kinetic resolution. Chemical science, 2018, 9, 4505-4510 |
| 1549275 | CIF | C36 H35 B F15 P | C 1 2/c 1 | 28.898; 11.2532; 21.7565 90; 105.318; 90 | 6823.8 | Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard Solid state frustrated Lewis pair chemistry. Chemical science, 2018, 9, 4859-4865 |
| 1549276 | CIF | C36 H33 B F15 O2 P S | P -1 | 10.9369; 12.602; 15.7611 90.384; 97.992; 111.759 | 1993.92 | Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard Solid state frustrated Lewis pair chemistry. Chemical science, 2018, 9, 4859-4865 |
| 1549277 | CIF | C38 H37 B Cl4 F15 P | P b c a | 20.8497; 16.0333; 23.8954 90; 90; 90 | 7988 | Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard Solid state frustrated Lewis pair chemistry. Chemical science, 2018, 9, 4859-4865 |
| 1549278 | CIF | C20 H19 N O | P 1 21/c 1 | 9.5578; 20.653; 8.4644 90; 108.514; 90 | 1584.4 | Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups. Chemical science, 2018, 9, 4488-4492 |
| 1549279 | CIF | C18 H20 Br N O | P -1 | 7.6388; 11.2206; 11.3511 116.079; 109.218; 91.505 | 808.23 | Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups. Chemical science, 2018, 9, 4488-4492 |
| 1549280 | CIF | C21.5 H19.5 Cl1.5 N O3 | P -1 | 11.282; 11.457; 14.934 84.071; 88.539; 84.074 | 1910 | Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups. Chemical science, 2018, 9, 4488-4492 |
| 1549281 | CIF | C22 H21 N O5 | P 1 21/c 1 | 11.8837; 10.0611; 19.6889 90; 107.518; 90 | 2244.9 | Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups. Chemical science, 2018, 9, 4488-4492 |
| 1549282 | CIF | C43 H58 B Co F3 N6 O3 S | P -1 | 11.3925; 16.9868; 21.7195 94.871; 98.674; 92.305 | 4134.1 | Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S. Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity. Chemical science, 2018, 9, 4493-4499 |
| 1549283 | CIF | C63 H59 B2 Co F24 I N6 O3 S | P 1 | 10.4248; 12.9027; 15.4799 101.302; 105.089; 113.446 | 1735.7 | Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S. Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity. Chemical science, 2018, 9, 4493-4499 |
| 1549284 | CIF | C26 H44 B Co F3 N6 O4 S | P 1 21/n 1 | 10.4361; 20.2414; 15.3862 90; 91.209; 90 | 3249.5 | Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S. Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity. Chemical science, 2018, 9, 4493-4499 |
| 1549285 | CIF | C84.5 H84 B2 Cl Co F24 I N6 O3 S | P -1 | 14.2995; 16.0821; 38.551 95.079; 97.357; 97.863 | 8658.9 | Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S. Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity. Chemical science, 2018, 9, 4493-4499 |
| 1549286 | CIF | C71 H77 B2 Co F24 I N6 O6 S | P -1 | 13.018; 17.299; 19.933 69.338; 77.588; 78.279 | 4062 | Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S. Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity. Chemical science, 2018, 9, 4493-4499 |
| 1549287 | CIF | C93 H100 B2 Co F27 N8 O4 S | P b c a | 21.493; 22.3378; 38.715 90; 90; 90 | 18587 | Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S. Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity. Chemical science, 2018, 9, 4493-4499 |
| 1549288 | CIF | C28 H20 | P 21 21 21 | 8.3475; 10.314; 21.0732 90; 90; 90 | 1814.32 | Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy. Chemical science, 2018, 9, 4662-4670 |
| 1549289 | CIF | C30 H28 | P 1 21/c 1 | 18.1203; 6.99093; 19.2375 90; 112.45; 90 | 2252.27 | Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy. Chemical science, 2018, 9, 4662-4670 |
| 1549290 | CIF | C30 H24 | P 1 21/c 1 | 11.90924; 17.5617; 9.90343 90; 101.393; 90 | 2030.45 | Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy. Chemical science, 2018, 9, 4662-4670 |
| 1549291 | CIF | C30 H28 | P 1 21/n 1 | 14.1772; 10.8633; 14.2137 90; 95.1137; 90 | 2180.36 | Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy. Chemical science, 2018, 9, 4662-4670 |
| 1549292 | CIF | C30 H26 | P 1 21/c 1 | 17.4337; 6.9903; 17.935 90; 103.64; 90 | 2124 | Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy. Chemical science, 2018, 9, 4662-4670 |
| 1549293 | CIF | C30 H22 | C 1 2/c 1 | 18.2724; 19.5178; 18.301 90; 113.791; 90 | 5972.2 | Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy. Chemical science, 2018, 9, 4662-4670 |
| 1549294 | CIF | C29 H24 | P 1 21/c 1 | 7.396; 30.1314; 18.311 90; 91.801; 90 | 4078.6 | Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy. Chemical science, 2018, 9, 4662-4670 |
| 1549295 | CIF | C28 H22 | P -1 | 11.9827; 13.0612; 14.0684 117.413; 92.608; 90.268 | 1951.7 | Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy. Chemical science, 2018, 9, 4662-4670 |
| 1549296 | CIF | C36 H72 Al Cl Si3 Th | P 1 21/n 1 | 14.6013; 16.3421; 18.0401 90; 93.323; 90 | 4297.4 | Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex. Chemical science, 2018, 9, 4317-4324 |
| 1549297 | CIF | C36 H72 Al Si3 U | P -1 | 10.4534; 12.854; 17.8476 72.09; 79.893; 66.898 | 2094.82 | Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex. Chemical science, 2018, 9, 4317-4324 |
| 1549298 | CIF | C36 H73 Al Si3 Th | P 1 21/c 1 | 18.541; 12.528; 18.971 90; 105.644; 90 | 4243 | Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex. Chemical science, 2018, 9, 4317-4324 |
| 1549299 | CIF | C36 H72 Al Si3 Th | P 1 21/m 1 | 12.933; 12.816; 13.179 90; 94.46; 90 | 2178 | Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex. Chemical science, 2018, 9, 4317-4324 |
| 1549300 | CIF | C62 H88 I2 N4 O2 | P 1 21/n 1 | 14.01776; 11.68842; 18.61137 90; 97.6225; 90 | 3022.44 | Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S. Kekulé diradicaloids derived from a classical N-heterocyclic carbene. Chemical science, 2018, 9, 4970-4976 |
| 1549301 | CIF | C60 H80 N4 | P -1 | 10.4185; 10.5244; 25.1966 97.968; 90.283; 110.092 | 2565.5 | Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S. Kekulé diradicaloids derived from a classical N-heterocyclic carbene. Chemical science, 2018, 9, 4970-4976 |
| 1549302 | CIF | C70 H92 N4 O | P -1 | 9.397; 11.5574; 15.1108 70.87; 84.424; 76.36 | 1506.4 | Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S. Kekulé diradicaloids derived from a classical N-heterocyclic carbene. Chemical science, 2018, 9, 4970-4976 |
| 1549303 | CIF | C69.21 H96.87 Br2 N4 O3.22 | P 1 21/n 1 | 9.3343; 17.7848; 20.1423 90; 95.674; 90 | 3327.41 | Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S. Kekulé diradicaloids derived from a classical N-heterocyclic carbene. Chemical science, 2018, 9, 4970-4976 |
| 1549304 | CIF | C28 H18 N2 O | P 1 21/c 1 | 7.463; 23.83; 11.556 90; 101.301; 90 | 2015.3 | Zang, Qiguang; Yu, Jiayi; Yu, Wenbin; Qian, Jun; Hu, Rongrong; Tang, Ben Zhong Red-emissive azabenzanthrone derivatives for photodynamic therapy irradiated with ultralow light power density and two-photon imaging. Chemical science, 2018, 9, 5165-5171 |
| 1549305 | CIF | C28 H18 N2 O | P -1 | 7.1516; 8.5555; 16.6112 100.052; 95.016; 90.498 | 996.63 | Zang, Qiguang; Yu, Jiayi; Yu, Wenbin; Qian, Jun; Hu, Rongrong; Tang, Ben Zhong Red-emissive azabenzanthrone derivatives for photodynamic therapy irradiated with ultralow light power density and two-photon imaging. Chemical science, 2018, 9, 5165-5171 |
| 1549306 | CIF | C366 H508 Cd24 N24 O178 Tb8 | P 4/n :2 | 30.0936; 30.0936; 39.3554 90; 90; 90 | 35641.2 | Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A. A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging. Chemical science, 2018, 9, 4630-4637 |
| 1549307 | CIF | C386 H560 Cd24 N24 O190 Tb8 | F d d d :2 | 54.777; 61.944; 79.935 90; 90; 90 | 271228 | Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A. A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging. Chemical science, 2018, 9, 4630-4637 |
| 1549308 | CIF | C1714.04 H2526.4 Cd96 N96 O683.24 Tb32 | F d d d :2 | 54.621; 61.479; 100.21 90; 90; 90 | 336510 | Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A. A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging. Chemical science, 2018, 9, 4630-4637 |
| 1549309 | CIF | C386 H500 Cd24 N24 O177 Tb8 | P -4 n 2 | 42.806; 42.806; 37.886 90; 90; 90 | 69421 | Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A. A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging. Chemical science, 2018, 9, 4630-4637 |
| 1549310 | CIF | C50 H103 K Mn O14 | P -1 | 11.5253; 16.1662; 16.7311 81.943; 88.463; 69.635 | 2892.8 | Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G. Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex. Chemical science, 2018, 9, 4524-4528 |
| 1549311 | CIF | C50 H103 K Mn O13 | P 1 21/n 1 | 11.3584; 17.2479; 29.111 90; 91.552; 90 | 5701 | Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G. Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex. Chemical science, 2018, 9, 4524-4528 |
| 1549312 | CIF | C38 H79 K Mn O5 | C 1 2/c 1 | 18.3234; 15.9361; 16.771 90; 122.093; 90 | 4148.8 | Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G. Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex. Chemical science, 2018, 9, 4524-4528 |
| 1549313 | CIF | C62 H46 B F24 Na O9 | P -1 | 14.295; 14.544; 17.347 100.67; 107.46; 105.51 | 3174 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
| 1549314 | CIF | C58 H46 B F24 Na O9 | P b c a | 19.142; 24.665; 26.029 90; 90; 90 | 12289 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
| 1549315 | CIF | C62 H52 B F30 Na O9 | P 1 21/n 1 | 20.158; 17.085; 20.698 90; 101.158; 90 | 6994 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
| 1549316 | CIF | C65 H75 B F24 Na O9 Si2 | P -1 | 13.9002; 14.0497; 21.1609 101.417; 103.6; 101.486 | 3804.07 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
| 1549317 | CIF | C46 H38 B F24 Li O9 | P 21 21 21 | 12.8768; 17.6754; 22.1097 90; 90; 90 | 5032.2 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
| 1549318 | CIF | C102 H78 B2 Cl6 F48 Na2 O18 | P -1 | 16.654; 18.497; 20.536 70.108; 83.341; 89.951 | 5903 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
| 1549319 | CIF | C50 H41.87 B Cl8 F24 Na O9 | P 1 21/c 1 | 13.0127; 19.6275; 25.4722 90; 96.246; 90 | 6467.2 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
| 1549320 | CIF | C54 H54 B F24 Na O9 | P -1 | 12.434; 12.984; 20.025 93.798; 107.54; 104.457 | 2949.7 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
| 1549321 | CIF | C36 H26 Cl2 N2 O8 | P -1 | 7.4655; 10.993; 11.026 111.9; 95.16; 108.53 | 773.4 | Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander 1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 670-680 |
| 1549322 | CIF | C36 H24 Cl4 N2 O8 | P -1 | 7.5046; 9.6822; 12.452 69.07; 79.63; 77.91 | 820.8 | Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander 1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 670-680 |
| 1549323 | CIF | C36 H26 Br2 N2 O8 | P -1 | 7.4131; 10.094; 12.181 113.45; 99.1; 101 | 792.6 | Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander 1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 670-680 |
| 1549324 | CIF | C38 H26 N4 O8 | P -1 | 7.9462; 9.1625; 11.719 101.68; 102.13; 97.57 | 803.3 | Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander 1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 670-680 |
| 1549325 | CIF | C36 H26 Br2 N2 O8 | P -1 | 7.8733; 9.936; 11.49 106.03; 108.74; 96.25 | 798.6 | Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander 1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 670-680 |
| 1549326 | CIF | C38 H26 N4 O8 | P 1 21/c 1 | 13.513; 6.434; 18.566 90; 101.85; 90 | 1579.8 | Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander 1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 670-680 |
| 1549327 | CIF | C36 H26 Cl2 N2 O8 | P -1 | 8.9176; 9.7483; 10.094 64.4; 89.6; 88.69 | 791.1 | Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander 1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 670-680 |
| 1549328 | CIF | C38 H26 N4 O8 | P 1 21/c 1 | 8.8116; 11.811; 15.299 90; 107.37; 90 | 1519.6 | Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander 1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 670-680 |
| 1549329 | CIF | C28 H20 N4 | P 1 21/c 1 | 8.1413; 11.929; 11.41 90; 107.94; 90 | 1054.2 | Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander 1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 670-680 |
| 1549330 | CIF | C36 H26 Cl2 N2 O8 | P 1 21/c 1 | 9.773; 10.033; 16.112 90; 97.83; 90 | 1565.1 | Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander 1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 670-680 |
| 1549331 | CIF | C18 H13 Cl N O4 | P 1 21/c 1 | 9.6552; 12.927; 13.746 90; 114.53; 90 | 1560.8 | Ortega, Gabriela; Hernández, Jesús; González, Teresa; Dorta, Romano; Briceño, Alexander 1,2,4,5-Benzenetetracarboxylic acid: a versatile hydrogen bonding template for controlling the regioselective topochemical synthesis of head-to-tail photodimers from stilbazole derivatives. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 670-680 |
| 1549332 | CIF | C8 H12 Br2 Cl3 N O | C 1 2/c 1 | 18.3209; 12.3996; 12.1068 90; 98.766; 90 | 2718.2 | Wappes, Ethan A.; Vanitcha, Avassaya; Nagib, David A. β C-H di-halogenation <i>via</i> iterative hydrogen atom transfer. Chemical science, 2018, 9, 4500-4504 |
| 1549333 | CIF | C48 H57 B N2 O | P -1 | 12.799; 13.808; 13.844 64.938; 70.414; 66.334 | 1989.3 | Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds. Chemical science, 2018, 9, 5354-5359 |
| 1549334 | CIF | C43 H68 B2 N2 O | P 1 21/n 1 | 9.499; 22.755; 19.041 90; 91.58; 90 | 4114 | Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds. Chemical science, 2018, 9, 5354-5359 |
| 1549335 | CIF | C45 H52 B Cl N2 | C 1 2/c 1 | 26.74; 9.4128; 30.763 90; 100.73; 90 | 7608 | Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds. Chemical science, 2018, 9, 5354-5359 |
| 1549336 | CIF | C51.5 H72 B2 N4 O | P -1 | 10.756; 12.715; 18.183 81.15; 87.75; 68.37 | 2284 | Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds. Chemical science, 2018, 9, 5354-5359 |
| 1549337 | CIF | C45 H51 B N2 | P 1 21/c 1 | 12.303; 12.532; 24.192 90; 100.95; 90 | 3662 | Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds. Chemical science, 2018, 9, 5354-5359 |
| 1549338 | CIF | C19 H21 O2 S | P 1 21 1 | 6.612; 7.8997; 15.4119 90; 92.455; 90 | 804.27 | Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their <i>in situ</i> addition to carbonyl compounds. Chemical science, 2018, 9, 4992-4998 |
| 1549339 | CIF | C24 H27 B O4 | P 1 21 1 | 12.5495; 6.3424; 13.2506 90; 92.671; 90 | 1053.52 | Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their <i>in situ</i> addition to carbonyl compounds. Chemical science, 2018, 9, 4992-4998 |
| 1549340 | CIF HKL Paper | C11 H6 F5 N O | P b c m | 13.1081; 11.1491; 7.1798 90; 90; 90 | 1049.3 | Zhao, Hui 3-Difluoromethyl-5-[4-(trifluoromethyl)phenyl]isoxazole IUCrData, 2018, 3, x180445 |
| 1549341 | CIF HKL Paper | C56 H50 N2 | P -1 | 10.4026; 13.6115; 16.5769 105.502; 105.796; 94.038 | 2150.3 | Adas, Sonya K.; Peloquin, Andrew J.; Iacono, Scott T.; Balaich, Gary J. 9-(3,5-Dimethylbenzylidene)-8-(3,5-dimethylphenyl)-1,3,5,7-tetraphenyl-2,4,7,8-tetrahydro-4,7-methanoazulene acetonitrile disolvate IUCrData, 2018, 3, x180553 |
| 1549342 | CIF HKL Paper | C16 H19 N5 O | P 1 21/c 1 | 15.8299; 10.627; 9.2041 90; 98.084; 90 | 1532.97 | Abad, Nadeem; Ramli, Youssef; Sebbar, Nada Kheira; Kaur, Manpreet; Essassi, El Mokhtar; Jasinski, Jerry P. 1-[(1-Butyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-3-methylquinoxalin-2(1<i>H</i>)-one IUCrData, 2018, 3, x180482 |
| 1549343 | CIF HKL Paper | C18 H22 | P -1 | 7.9315; 8.2047; 12.3474 108.513; 98.09; 103.805 | 719.18 | Brieger, Lukas; Unkelbach, Christian; Strohmann, Carsten 1,2-Bis(3,5-dimethylphenyl)ethane IUCrData, 2018, 3, x180636 |
| 1549344 | CIF HKL Paper | C15 H14 Br2 | P 1 21 1 | 7.4526; 5.8441; 16.278 90; 101.808; 90 | 694 | Peloquin, Andrew J.; Godman, Nicholas P.; Allison, Bruce D.; Balaich, Gary J.; Iacono, Scott T. 1,3-Bis(4-bromophenyl)propane IUCrData, 2018, 3, x180563 |
| 1549345 | CIF HKL Paper | C15 H12 Cl N O2 | P -1 | 7.2162; 8.0068; 11.65 80.123; 84.57; 88.084 | 660.1 | Zhong, Ling; Shi, Jianyou; Zhong, Lei; Wei, Xin; Xhang, Hongjia; Cheng, Liang; Bai, Lan 2-(3-Chlorophenyl)-3,4-dihydrobenzo[<i>f</i>][1,4]oxazepin-5(2<i>H</i>)-one IUCrData, 2018, 3, x180587 |
| 1549346 | CIF HKL Paper | C16 H20 N2 O2 | P -1 | 8.8546; 8.9841; 9.5523 98.481; 96.412; 106.772 | 710 | El Foujji, Laila; Sebhaoui, Jihad; El Bakri, Youness; El Ghayati, L'houssaine; Essassi, El Mokhtar; Mague, Joel T. (3<i>R</i>,4<i>Z</i>)-1,3-Diethyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-one IUCrData, 2018, 3, x180515 |
| 1549347 | CIF HKL Paper | C17 H16 O | P 1 21/c 1 | 9.6483; 10.606; 13.4332 90; 104.034; 90 | 1333.59 | Seidel, Nadine; Seichter, Wilhelm; Weber, Edwin 1-Methoxy-1,1-diphenylbut-2-yne IUCrData, 2018, 3, x180415 |
| 1549348 | CIF HKL Paper | C13 H15 N5 O2 S | P b c a | 18.2763; 7.5909; 20.0571 90; 90; 90 | 2782.59 | Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jeyaprakash, Venkatesan; Velmurugan, Devadasan 2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide IUCrData, 2018, 3, x180600 |
| 1549349 | CIF HKL Paper | C18 H16 N2 O3 | P 1 21/c 1 | 18.171; 4.9012; 16.9492 90; 91.923; 90 | 1508.64 | Abad, Nadeem; El Bakri, Youness; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T. Ethyl 2-(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)acetate IUCrData, 2018, 3, x180519 |
| 1549350 | CIF HKL Paper | C27 H37 Cl N2 O4 | P c c n | 11.0729; 12.6284; 19.6141 90; 90; 90 | 2742.7 | Minaker, Samuel A.; Wang, Ruiyao; Aquino, Manuel A. S. 1,3-Bis(2,6-diisopropylphenyl)imidazolium perchlorate IUCrData, 2018, 3, x180516 |
| 1549351 | CIF HKL Paper | C12 H14 N2 O3 | P -1 | 4.8082; 8.26; 14.413 84.072; 81.473; 85.14 | 561.7 | Abad, Nadeem; Sebhaoui, Jihad; El Bakri, Youness; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T. Ethyl 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetate IUCrData, 2018, 3, x180596 |
| 1549352 | CIF HKL Paper | C47.8 H42 Au Co2 F12.6 Fe2 N6 O5.4 P1.2 S1.8 | P -1 | 12.1395; 13.8587; 17.366 85.994; 80.863; 66.136 | 2637.9 | Vanicek, Stefan; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno Bis(4-cobaltoceniumyl-1-ferrocenyl-3-methyl-1,2,3-triazolylidene)gold(I) hexafluoridophosphate‒trifluoromethanesulfonate (1.2/1.8) IUCrData, 2018, 3, x180623 |
| 1549353 | CIF HKL Paper | C21.2 H22.4 Cl6.4 Co3 | P -1 | 18.1419; 19.9967; 20.3048 79.631; 78.398; 63.844 | 6441.7 | Shaw, Michael J.; Xu, Nan; Caveny, Ian E.; Abucayon, Erwin G.; Ramuglia, Anthony R.; Richter-Addo, George B. Bis(cobaltocenium) tetrachloridocobaltate(II) dichloromethane 1.2-solvate IUCrData, 2018, 3, x180552 |
| 1549354 | CIF HKL Paper | C17 H14 N2 O2 | P 1 21 1 | 12.7853; 7.0167; 15.4215 90; 95.718; 90 | 1376.59 | Abad, Nadeem; El Bakri, Youness; Sebhaoui, Jihad; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T. 1-[(Oxiran-2-yl)methyl]-3-phenyl-1,2-dihydroquinoxalin-2-one IUCrData, 2018, 3, x180610 |
| 1549355 | CIF HKL Paper | C28 H20 Br2 O | P 21 21 21 | 9.4301; 9.4561; 24.8572 90; 90; 90 | 2216.6 | Seidel, Nadine; Seichter, Wilhelm; Weber, Edwin 3,4-Dibromo-2,2,5,5-tetraphenyl-2,5-dihydrofuran IUCrData, 2018, 3, x180416 |
| 1549356 | CIF HKL Paper | C56 H52 As2 Cl6 N4 Zr | P 1 21/c 1 | 9.6505; 19.378; 15.1026 90; 97.849; 90 | 2797.8 | Borjas, Rosendo; Mariappan Balasekaran, Samundeeswari; Poineau, Frederic Bis(tetraphenylarsonium) hexachloridozirconate(IV) acetonitrile tetrasolvate IUCrData, 2018, 3, x180528 |
| 1549357 | CIF | C37 H54 Ir N P2 | P -1 | 9.1192; 10.6683; 17.8231 93.18; 92.823; 95.767 | 1719.89 | Kumar, Amit; Feller, Moran; Ben-David, Yehoshoa; Diskin-Posner, Yael; Milstein, David Formal oxidative addition of a C-H bond by a 16e iridium(i) complex involves metal-ligand cooperation. Chemical communications (Cambridge, England), 2018, 54, 5365-5368 |
| 1549358 | CIF HKL Paper | C16 H24 Br4 N2 Zn | P n a 21 | 11.0702; 26.0585; 7.7302 90; 90; 90 | 2229.95 | Aarthi, Ramkumar; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram Bis(4-methylbenzylammonium) tetrabromidozincate IUCrData, 2018, 3, x180648 |
| 1549359 | CIF HKL Paper | Br F4 K | I 4/m c m | 6.0999; 6.0999; 11.0509 90; 90; 90 | 411.19 | Ivlev, Sergei I.; Kraus, Florian Redetermination of the crystal structure of K[BrF4] from single-crystal X-ray diffraction data IUCrData, 2018, 3, x180646 |
| 1549360 | CIF | Ba Er2 O5 Zn | P n m a | 12.30316; 5.69665; 7.04766 90; 90; 90 | 493.948 | Nakamura, K.; Fujii, K.; Niwa, E.; Yashima, M. Crystal structure and electrical conductivity of BaR2ZnO5 (R=Sm, Gd, Dy, Ho, and Er) - a new structure family of oxide-ion conductors Journal of the Ceramic Society of Japan, 2018, 126, 292-299 |
| 1549361 | CIF | Ba Dy2 O5 Zn | P n m a | 12.37206; 5.72443; 7.08598 90; 90; 90 | 501.85 | Nakamura, K.; Fujii, K.; Niwa, E.; Yashima, M. Crystal structure and electrical conductivity of BaR2ZnO5 (R=Sm, Gd, Dy, Ho, and Er) - a new structure family of oxide-ion conductors Journal of the Ceramic Society of Japan, 2018, 126, 292-299 |
| 1549362 | CIF | Ba Gd2 O5 Zn | P n m a | 12.49739; 5.77627; 7.15961 90; 90; 90 | 516.84 | Nakamura, K.; Fujii, K.; Niwa, E.; Yashima, M. Crystal structure and electrical conductivity of BaR2ZnO5 (R=Sm, Gd, Dy, Ho, and Er) - a new structure family of oxide-ion conductors Journal of the Ceramic Society of Japan, 2018, 126, 292-299 |
| 1549363 | CIF | Ba Ho2 O5 Zn | P n m a | 12.34773; 5.71449; 7.07449 90; 90; 90 | 499.183 | Nakamura, K.; Fujii, K.; Niwa, E.; Yashima, M. Crystal structure and electrical conductivity of BaR2ZnO5 (R=Sm, Gd, Dy, Ho, and Er) - a new structure family of oxide-ion conductors Journal of the Ceramic Society of Japan, 2018, 126, 292-299 |
| 1549364 | CIF | Ba O5 Sm2 Zn | P n m a | 12.59242; 5.81502; 7.20736 90; 90; 90 | 527.76 | Nakamura, K.; Fujii, K.; Niwa, E.; Yashima, M. Crystal structure and electrical conductivity of BaR2ZnO5 (R=Sm, Gd, Dy, Ho, and Er) - a new structure family of oxide-ion conductors Journal of the Ceramic Society of Japan, 2018, 126, 292-299 |
| 1549365 | CIF | O7 Ti2 Yb2 | F d -3 m | 10.133798; 10.133798; 10.133798 90; 90; 90 | 1040.68 | Uno, W.; Fujii, K.; Niwa, E.; Torii, S.; Miao, P.; Kamiyama, T.; Yashima, M. Experimental visualization of oxide-ion diffusion paths in pyrochlore-type Yb2Ti2O7 : sample at 1173 K Journal of the Ceramic Society of Japan, 2018, 126, 341-345 |
| 1549366 | CIF | O7 Ti2 Yb2 | F d -3 m | 10.03441; 10.03441; 10.03441 90; 90; 90 | 1010.36 | Uno, W.; Fujii, K.; Niwa, E.; Torii, S.; Miao, P.; Kamiyama, T.; Yashima, M. Experimental visualization of oxide-ion diffusion paths in pyrochlore-type Yb2Ti2O7 Journal of the Ceramic Society of Japan, 2018, 126, 341-345 |
| 1549367 | CIF | C54 H42 Co N4 O4 | P 1 21/c 1 | 14.361; 9.517; 15.449 90; 99.257; 90 | 2084 | Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex. Chemical science, 2018, 9, 4999-5007 |
| 1549368 | CIF | C62 H48 Co F N4 O4 | P c a 21 | 21.495; 13.598; 16.434 90; 90; 90 | 4803.5 | Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex. Chemical science, 2018, 9, 4999-5007 |
| 1549369 | CIF | C85 H44 Co F15 N8 O4 Sn | P 1 21/c 1 | 17.25; 13.082; 32.044 90; 96.735; 90 | 7181 | Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex. Chemical science, 2018, 9, 4999-5007 |
| 1549370 | CIF | C74 H16 F30 N8 O Sn2 | P -1 | 12.8962; 15.333; 21.248 101.533; 90.07; 106.286 | 3944.2 | Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex. Chemical science, 2018, 9, 4999-5007 |
| 1549371 | CIF | C94 H52 Co F15 N8 O5 Sn | P -1 | 15.523; 16.499; 20.024 93.436; 111.524; 102.953 | 4591.9 | Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex. Chemical science, 2018, 9, 4999-5007 |
| 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 |
| 1549373 | CIF | C22 H17 N O9 | P c a 21 | 7.0231; 17.534; 14.6817 90; 90; 90 | 1807.9 | Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria. Chemical science, 2018, 9, 4898-4908 |
| 1549374 | CIF | C22 H17 N O9 | P -1 | 7.0902; 7.9097; 17.33 89.561; 84.797; 74.655 | 933.2 | Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria. Chemical science, 2018, 9, 4898-4908 |
| 1549375 | CIF | C54 H33 Cl Ir N6 S2 | P 1 21/n 1 | 14.6864; 15.1284; 29.6362 90; 99.037; 90 | 6502.9 | Guan, Ruilin; Chen, Yu; Zeng, Leli; Rees, Thomas W.; Jin, Chengzhi; Huang, Juanjuan; Chen, Zhe-Sheng; Ji, Liangnian; Chao, Hui Oncosis-inducing cyclometalated iridium(iii) complexes. Chemical science, 2018, 9, 5183-5190 |
| 1549376 | CIF | C19 H13 Br F3 N O3 S | P 61 | 16.963; 16.963; 11.4256 90; 90; 120 | 2847.2 | Greenhalgh, Mark D.; Qu, Shen; Slawin, Alexandra M. Z.; Smith, Andrew D. Multiple roles of aryloxide leaving groups in enantioselective annulations employing α,β-unsaturated acyl ammonium catalysis. Chemical science, 2018, 9, 4909-4918 |
| 1549377 | CIF | C27 H42 Cl4 N2 Pd | I 41/a :2 | 27.4219; 27.4219; 15.9884 90; 90; 90 | 12022.7 | Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations Polymer Chemistry, 2018, 9, 3088 |
| 1549378 | CIF | C20 H28 Cl2 N2 Pd | P b c a | 13.5058; 13.9638; 21.6147 90; 90; 90 | 4076.4 | Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations Polymer Chemistry, 2018, 9, 3088 |
| 1549379 | CIF | C36 H46 Cl2 N2 O Pd | P n m a | 11.5645; 21.3415; 13.8095 90; 90; 90 | 3408.24 | Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations Polymer Chemistry, 2018, 9, 3088 |
| 1549380 | CIF | C28 H30 Cl2 N2 O Pd | P 1 21/n 1 | 14.0031; 17.0473; 21.8047 90; 102.678; 90 | 5078.2 | Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations Polymer Chemistry, 2018, 9, 3088 |
| 1549381 | CIF HKL Paper | C15 H11 N3 O4 | P 1 21/c 1 | 12.8698; 8.1365; 13.0309 90; 107.275; 90 | 1302.98 | AaminaNaaz, Y.; Kamalraja, Jayabal; Perumal, Paramasivam T.; SubbiahPandi, A. 5'-Nitro-1,4-dihydrospiro[3,1-benzoxazine-2,3'-indolin]-2'-one IUCrData, 2018, 3, x180664 |
| 1549382 | CIF | C21 H29 N O3 S Si | P 1 21/n 1 | 11.6959; 16.06; 11.9522 90; 91.981; 90 | 2243.71 | Jayaraman, Arumugam; Misal Castro, Luis C.; Desrosiers, Vincent; Fontaine, Frédéric-Georges Metal-free borylative dearomatization of indoles: exploring the divergent reactivity of aminoborane C-H borylation catalysts. Chemical science, 2018, 9, 5057-5063 |
| 1549383 | CIF | C21 H25 B F N O4 S | P 1 21/c 1 | 10.5498; 19.255; 10.4914 90; 105.495; 90 | 2053.72 | Jayaraman, Arumugam; Misal Castro, Luis C.; Desrosiers, Vincent; Fontaine, Frédéric-Georges Metal-free borylative dearomatization of indoles: exploring the divergent reactivity of aminoborane C-H borylation catalysts. Chemical science, 2018, 9, 5057-5063 |
| 1549384 | CIF | C48 H78 Co Li2 Ni O18 | P -1 | 11.4322; 12.2773; 12.5149 103.535; 107.265; 110.653 | 1452.5 | Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V. A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules. Chemical science, 2018, 9, 4736-4745 |
| 1549385 | CIF | C48 H78 Li2 Ni2 O18 | P -1 | 11.408; 12.249; 12.519 103.477; 107.088; 110.797 | 1447.5 | Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V. A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules. Chemical science, 2018, 9, 4736-4745 |
| 1549386 | CIF | C48 H78 Li2 Mg1.07 Ni0.93 O18 | P -1 | 11.5228; 12.2661; 12.5357 103.595; 106.954; 111.073 | 1462.29 | Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V. A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules. Chemical science, 2018, 9, 4736-4745 |
| 1549387 | CIF | C48 H78 Co1.06 Li2 Mg0.94 O18 | P -1 | 11.5502; 12.2971; 12.5192 103.554; 107.079; 110.959 | 1468.06 | Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V. A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules. Chemical science, 2018, 9, 4736-4745 |
| 1549388 | CIF | C113 H184 O6 Si8 Ti4 | P 1 21/n 1 | 14.5653; 25.3532; 31.1528 90; 91.249; 90 | 11501.3 | Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N; Puschmann, Horst; Roe, S. Mark; Tizzard, Graham Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system. Chemical science, 2018, 9, 5008-5014 |
| 1549389 | CIF | C55 H92 O2 Si4 Ti2 | P 1 21/n 1 | 12.9536; 22.7968; 18.9201 90; 92.537; 90 | 5581.6 | Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N; Puschmann, Horst; Roe, S. Mark; Tizzard, Graham Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system. Chemical science, 2018, 9, 5008-5014 |
| 1549390 | CIF | C159 H108 Ag29 N3 O10 P4 S24 | R -3 :H | 27.4634; 27.4634; 46.6552 90; 90; 120 | 30474.7 | Nag, Abhijit; Chakraborty, Papri; Bodiuzzaman, Mohammad; Ahuja, Tripti; Antharjanam, Sudhadevi; Pradeep, Thalappil Polymorphism of Ag<sub>29</sub>(BDT)<sub>12</sub>(TPP)<sub>4</sub><sup>3-</sup> cluster: interactions of secondary ligands and their effect on solid state luminescence. Nanoscale, 2018, 10, 9851-9855 |
| 1549391 | CIF | C41.5 H56 Cl4 O12.5 U2 | P -1 | 10.683; 11.322; 11.736 67.493; 86.541; 76.417 | 1274 | Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry Formation of a new type of uranium(iv) poly-oxo cluster {U<sub>38</sub>} based on a controlled release of water <i>via</i> esterification reaction. Chemical science, 2018, 9, 5021-5032 |
| 1549392 | CIF | C60 H148 Cl42 O76 U38 | I 4/m | 19.6962; 19.6962; 29.9535 90; 90; 90 | 11620.2 | Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry Formation of a new type of uranium(iv) poly-oxo cluster {U<sub>38</sub>} based on a controlled release of water <i>via</i> esterification reaction. Chemical science, 2018, 9, 5021-5032 |
| 1549393 | CIF HKL Paper | C24 H22 N2 O2 P2 | P -1 | 8.6901; 10.1547; 12.6282 71.352; 84.442; 81.817 | 1043.56 | Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe 1,1-Bis(diphenylphosphoryl)hydrazine IUCrData, 2018, 3, x180679 |
| 1549394 | CIF HKL Paper | C22 H32 N2 O3 | P 1 21/c 1 | 28.061; 4.765; 15.3667 90; 91.503; 90 | 2053.98 | Abad, Nadeem; El Bakri, Youness; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T. Ethyl 2-[(2<i>E</i>)-4-decyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylidene]acetate IUCrData, 2018, 3, x180680 |
| 1549395 | CIF | C47 H36 Dy F9 N2 O6 | P 1 | 10.5005; 10.5156; 11.1246 83.611; 66.854; 74.875 | 1090.31 | Li, Xi-Li; Zhu, Cancan; Rong, Qixiang; Wei, Jiahao; Li, Ruixue; Liu, Cai-Ming A pair of mononuclear Dy(iii) enantiomers showing single-ion magnetic and ferroelectric properties New Journal of Chemistry, 2018, 42, 10906 |
| 1549396 | CIF | C47 H36 Dy F9 N2 O6 | P 1 | 10.4994; 10.5083; 11.1201 83.608; 66.819; 74.881 | 1088.75 | Li, Xi-Li; Zhu, Cancan; Rong, Qixiang; Wei, Jiahao; Li, Ruixue; Liu, Cai-Ming A pair of mononuclear Dy(iii) enantiomers showing single-ion magnetic and ferroelectric properties New Journal of Chemistry, 2018, 42, 10906 |
| 1549397 | CIF | C24 H36 N2 S Si | I 1 2/a 1 | 24.712; 8.4842; 24.907 90; 101.616; 90 | 5115 | Kulikov, Oleg V.; Siriwardane, Dumindika A.; Budhathoki-Uprety, Januka; McCandless, Gregory T.; Mahmood, Samsuddin F.; Novak, Bruce M. The secondary structures of PEG-functionalized random copolymers derived from (R)- and (S)- families of alkyne polycarbodiimides Polymer Chemistry, 2018, 9, 2759 |
| 1549398 | CIF | C54 H84 Co I3 N6 O6 S6 | P 1 21 1 | 23.057; 13.6098; 23.378 90; 110.977; 90 | 6849.8 | Luu, Quang H.; Lewis, Kyle G.; Banerjee, Anik; Bhuvanesh, Nattamai; Gladysz, John A. The robust, readily available cobalt(iii) trication [Co(NH<sub>2</sub>CHPhCHPhNH<sub>2</sub>)<sub>3</sub>]<sup>3+</sup> is a progenitor of broadly applicable chirality and prochirality sensing agents. Chemical science, 2018, 9, 5087-5099 |
| 1549399 | CIF | C30 H30 N2 O3 S | P 1 21/n 1 | 13.2526; 8.5485; 23.163 90; 97.46; 90 | 2601.9 | Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes. Chemical science, 2018, 9, 5074-5081 |
| 1549400 | CIF | C33 H32 N2 O3 S | P 21 21 21 | 9.5994; 14.7775; 19.9833 90; 90; 90 | 2834.7 | Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes. Chemical science, 2018, 9, 5074-5081 |
| 1549401 | CIF | C30 H32 N2 O3 S | P 1 21/n 1 | 14.6758; 8.1119; 22.258 90; 97.042; 90 | 2629.8 | Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes. Chemical science, 2018, 9, 5074-5081 |
| 1549402 | CIF | C18 H16 O5 | C 1 c 1 | 34.531; 7.371; 11.7082 90; 100.238; 90 | 2932.6 | Louis, Marine; Guillot, Régis; Métivier, Rémi; Allain, Clémence β-Diketone derivatives: influence of the chelating group on the photophysical and mechanofluorochromic properties. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 822-828 |
| 1549403 | CIF | C32 H32 N6 O5 | F d d 2 | 29.697; 33.356; 5.4539 90; 90; 90 | 5402.5 | Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan Copper mediated C-H amination with oximes: en route to primary anilines. Chemical science, 2018, 9, 5160-5164 |
| 1549404 | CIF | C22 H20 N4 O2 | P 1 21 1 | 12.646; 8.4619; 17.452 90; 90.459; 90 | 1867.5 | Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan Copper mediated C-H amination with oximes: en route to primary anilines. Chemical science, 2018, 9, 5160-5164 |
| 1549405 | CIF | C17 H17 N O3 | P 1 21 1 | 7.731; 8.2071; 11.5044 90; 107.779; 90 | 695.08 | Wen, Xin; Wang, Yong; Zhang, X. Peter Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds. Chemical science, 2018, 9, 5082-5086 |
| 1549406 | CIF | C34 H51 N3 O4 | P 1 21/c 1 | 14.4518; 15.8358; 14.1208 90; 93.946; 90 | 3223.97 | Wen, Xin; Wang, Yong; Zhang, X. Peter Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds. Chemical science, 2018, 9, 5082-5086 |
| 1549407 | CIF | C16 H14 Cl N O2 | P 1 21 1 | 5.0463; 10.357; 13.2269 90; 92.007; 90 | 690.87 | Wen, Xin; Wang, Yong; Zhang, X. Peter Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds. Chemical science, 2018, 9, 5082-5086 |
| 1549408 | CIF | C112 H88 Co N8 O8 | C 2 2 21 | 12.7206; 36.0918; 22.8341 90; 90; 90 | 10483.3 | Wen, Xin; Wang, Yong; Zhang, X. Peter Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds. Chemical science, 2018, 9, 5082-5086 |
| 1549409 | CIF | C20 H14 Br2 F4 N4 S | P 1 21/c 1 | 14.8145; 12.6491; 11.5796 90; 106.709; 90 | 2078.28 | Das, Prajwalita; Niina, Kiyoteru; Hiromura, Tomoya; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio An eccentric rod-like linear connection of two heterocycles: synthesis of pyridine <i>trans</i>-tetrafluoro-λ<sup>6</sup>-sulfanyl triazoles. Chemical science, 2018, 9, 4931-4936 |
| 1549410 | CIF | C20 H14 Br2 F4 N4 S | P 1 21/n 1 | 12.592; 7.7321; 21.336 90; 96.291; 90 | 2064.8 | Das, Prajwalita; Niina, Kiyoteru; Hiromura, Tomoya; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio An eccentric rod-like linear connection of two heterocycles: synthesis of pyridine <i>trans</i>-tetrafluoro-λ<sup>6</sup>-sulfanyl triazoles. Chemical science, 2018, 9, 4931-4936 |
| 1549411 | CIF | C13 H12 Cl F6 N O | P 1 21/c 1 | 7.6263; 16.9562; 10.843 90; 92.648; 90 | 1400.64 | Carestia, Anthony M.; Ravelli, Davide; Alexanian, Erik J. Reagent-dictated site selectivity in intermolecular aliphatic C-H functionalizations using nitrogen-centered radicals. Chemical science, 2018, 9, 5360-5365 |
| 1549412 | CIF HKL Paper | C18 H16 Cu Na2 O16 | P -1 | 6.9048; 7.0555; 11.8449 105.071; 93.073; 109.955 | 517.26 | Yang, Annabeth P.; LaDuca, Robert L. Poly[diaquabis(μ-hydrogen benzene-1,2,4-tricarboxylato)copper(II)disodium]: a novel 4,5,6-connected trinodal net IUCrData, 2018, 3, x180676 |
| 1549413 | CIF HKL Paper | C14 H21 N O4 | P 1 21/c 1 | 8.16; 14.876; 12.549 90; 93.192; 90 | 1520.9 | Seye, Dame; Diop, Libasse; Diop, Cheikh Abdoul Khadir; Geiger, David K. Diisopropylammonium hydrogen phthalate IUCrData, 2018, 3, x180704 |
| 1549414 | CIF | C11 H12 B Br F3 N | P 1 21 1 | 9.1247; 11.1474; 11.9275 90; 90.442; 90 | 1213.2 | Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W. Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs). Chemical science, 2018, 9, 5191-5196 |
| 1549415 | CIF | C8 H8 B F4 N | P 1 21/c 1 | 6.1042; 37.0556; 7.9394 90; 93.529; 90 | 1792.45 | Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W. Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs). Chemical science, 2018, 9, 5191-5196 |
| 1549416 | CIF | C13 H18 B F4 N | P 21 21 21 | 8.4831; 8.7906; 17.8568 90; 90; 90 | 1331.61 | Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W. Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs). Chemical science, 2018, 9, 5191-5196 |
| 1549417 | CIF | C35.5 H39 B2 F8 N2 O0.5 | P 1 21/n 1 | 9.1554; 14.8171; 24.131 90; 93.931; 90 | 3265.82 | Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W. Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs). Chemical science, 2018, 9, 5191-5196 |
| 1549418 | CIF | C11 H14 B F4 N | P 21 21 21 | 10.8597; 11.1368; 19.408 90; 90; 90 | 2347.25 | Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W. Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs). Chemical science, 2018, 9, 5191-5196 |
| 1549419 | CIF | Ga2 Ge Na2 S Se5 | F d d 2 | 12.987; 23.653; 7.519 90; 90; 90 | 2310 | Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold. Chemical science, 2018, 9, 5700-5708 |
| 1549420 | CIF | Ga2 Ge Na2 Se6 | F d d 2 | 12.985; 23.88; 7.585 90; 90; 90 | 2352 | Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold. Chemical science, 2018, 9, 5700-5708 |
| 1549421 | CIF | Ga2 Na2 Se6 Sn | F d d 2 | 13.329; 24.291; 7.621 90; 90; 90 | 2467.5 | Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold. Chemical science, 2018, 9, 5700-5708 |
| 1549422 | CIF | Ga2 Na2 S Se5 Sn | F d d 2 | 13.264; 23.936; 7.514 90; 90; 90 | 2385.6 | Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold. Chemical science, 2018, 9, 5700-5708 |
| 1549423 | CIF | C18 H17 N Na O5 | P 63 | 20.8091; 20.8091; 6.5883 90; 90; 120 | 2470.6 | Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M. Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs). Chemical science, 2018, 9, 5233-5241 |
| 1549424 | CIF | C18 H17 N Na O5 | P 63 | 20.7637; 20.7637; 6.5915 90; 90; 120 | 2461.07 | Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M. Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs). Chemical science, 2018, 9, 5233-5241 |
| 1549425 | CIF | C26 H40 N2 O6 | P 1 | 8.8976; 9.7399; 15.4155 93.972; 99.602; 107.215 | 1248.19 | Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M. Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs). Chemical science, 2018, 9, 5233-5241 |
| 1549426 | CIF | C40 H27 Cl O | P -1 | 10.7657; 11.9402; 12.6973 65.614; 84.355; 71.603 | 1409.62 | Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan Curved π-conjugated corannulene dimer diradicaloids. Chemical science, 2018, 9, 5100-5105 |
| 1549427 | CIF | C36 H24 O | P 1 21/c 1 | 10.7377; 7.2096; 30.6438 90; 97.73; 90 | 2350.72 | Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan Curved π-conjugated corannulene dimer diradicaloids. Chemical science, 2018, 9, 5100-5105 |
| 1549428 | CIF | C42 H28 Cl O | P -1 | 7.3515; 11.2839; 19.4024 74.348; 87.386; 73.241 | 1483.1 | Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan Curved π-conjugated corannulene dimer diradicaloids. Chemical science, 2018, 9, 5100-5105 |
| 1549429 | CIF | C58 H48 Br2 Cu N4 O4 | P 1 21/c 1 | 16.4411; 8.849; 18.948 90; 115.172; 90 | 2494.9 | Tonge, Christopher M.; Sauvé, Ethan R.; Paisley, Nathan R.; Heyes, Jordan E.; Hudson, Zachary M. Polymerization of acrylates based on n-type organic semiconductors using Cu(0)-RDRP Polymer Chemistry, 2018, 9, 3359 |
| 1549430 | CIF | C4 H15 B11 Br6 Si | P -1 | 7.628; 10.6903; 12.8641 83.21; 88.683; 73.76 | 1000.03 | Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion. Chemical science, 2018, 9, 5600-5607 |
| 1549431 | CIF | C14 H19 B11 Br6 Si | P b c a | 18.5845; 14.7047; 19.673 90; 90; 90 | 5376.23 | Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion. Chemical science, 2018, 9, 5600-5607 |
| 1549432 | CIF | C19 H29 B11 Br6 Cl2 Si | C 1 c 1 | 10.26054; 38.4104; 8.64061 90; 100.552; 90 | 3347.78 | Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion. Chemical science, 2018, 9, 5600-5607 |
| 1549433 | CIF | C8.5 H12.5 Cl1.5 I N O | C 1 2/c 1 | 25.6568; 9.9841; 9.988 90; 95.639; 90 | 2546.15 | Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A. Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes. Chemical science, 2018, 9, 5295-5300 |
| 1549434 | CIF | C8 H12 Br N O2 | P -1 | 7.0213; 11.7894; 12.2156 72.797; 86.293; 89.879 | 963.76 | Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A. Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes. Chemical science, 2018, 9, 5295-5300 |
| 1549435 | CIF | C21 H30 N2 O | P 1 21/n 1 | 14.727; 5.7756; 21.9219 90; 92.4149; 90 | 1862.96 | Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A. Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes. Chemical science, 2018, 9, 5295-5300 |
| 1549436 | CIF | C12 H12 I N O2 | P 1 21/c 1 | 12.8692; 8.4534; 11.4743 90; 99.0055; 90 | 1232.88 | Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A. Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes. Chemical science, 2018, 9, 5295-5300 |
| 1549437 | CIF | C13 H12 F3 I | P -1 | 5.602; 8.9978; 13.3874 95.953; 98.695; 98.785 | 653.64 | Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A. Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes. Chemical science, 2018, 9, 5295-5300 |
| 1549438 | CIF | C15 H16 O2 | P 1 21 1 | 8.6189; 8.0477; 8.6853 90; 101.24; 90 | 590.88 | Jurberg, Igor D.; Davies, Huw M. L. Blue light-promoted photolysis of aryldiazoacetates. Chemical science, 2018, 9, 5112-5118 |
| 1549439 | CIF HKL Paper | C61 H81 B F15 N3 Zr | P 1 21/c 1 | 23.493; 11.9942; 21.8489 90; 104.259; 90 | 5966.9 | Frerichs, Nils; Adler, Christian; Schmidtmann, Marc; Beckhaus, Rüdiger Crystal structure of a zwitterionic azaallyl zirconiumamide complex bearing a Zr^+^-μ-CH~3~—B^{-^} moiety and one equivalent of <i>n</i>-hexane as a solvent IUCrData, 2018, 3, x180644 |
| 1549440 | CIF HKL Paper | C23 H18 Fe2 O S2 | P -1 | 9.8525; 10.6407; 19.272 98.867; 95.255; 105.512 | 1904.76 | Sánchez García, Jessica J.; Flores-Alamo, Marcos; Klimova, Elena I. 4,5-Diferrocenyl-1,2-dithiol-3-one IUCrData, 2018, 3, x180685 |
| 1549441 | CIF | C14 H14 Mn N4 O7 | P 1 21/n 1 | 7.5244; 10.5204; 20.806 90; 95.374; 90 | 1639.8 | El-Azzouzi, Nabila; Hueso-Ureña, Francisco; Illán-Cabeza, Nuria A.; Moreno-Carretero, Miguel N. XRD structure of two heptacoordinated Mn(II) complexes containing 2,9-dimethyl-1,10-phenanthroline (phen), nitrato and nicotinato bidentate anions: [Mn(phen)(nicot)(NO3)(H2O)]·EtOH·H2O and [Mn(phen)(NO3)2(H2O)] Polyhedron, 2010, 29, 1405 |
| 1549442 | CIF | C22 H26 Mn N4 O8 | P 1 21/c 1 | 16.5442; 9.2953; 16.9886 90; 114.337; 90 | 2380.4 | El-Azzouzi, Nabila; Hueso-Ureña, Francisco; Illán-Cabeza, Nuria A.; Moreno-Carretero, Miguel N. XRD structure of two heptacoordinated Mn(II) complexes containing 2,9-dimethyl-1,10-phenanthroline (phen), nitrato and nicotinato bidentate anions: [Mn(phen)(nicot)(NO3)(H2O)]·EtOH·H2O and [Mn(phen)(NO3)2(H2O)] Polyhedron, 2010, 29, 1405 |
| 1549443 | CIF | C20 H16 Cl2 N9 O10 Re2 S2 | C 1 2/c 1 | 22.4101; 10.9538; 12.9703 90; 100.001; 90 | 3135.5 | Illán-Cabeza, Nuria A.; García-García, Antonio R.; Moreno-Carretero, Miguel N. Complexes with 6-amino-5-nitroso-2-thiouracil and violuric acid derivatives containing the fac-ReI(CO)3 core: Synthesis, XRD structural and photoluminescence characterization Inorganica Chimica Acta, 2011, 366, 262 |
| 1549444 | CIF | C9 H6 N3 O8 Re | P -1 | 6.2583; 8.4997; 11.785 83.368; 88.532; 77.142 | 607.08 | Illán-Cabeza, Nuria A.; García-García, Antonio R.; Moreno-Carretero, Miguel N. Complexes with 6-amino-5-nitroso-2-thiouracil and violuric acid derivatives containing the fac-ReI(CO)3 core: Synthesis, XRD structural and photoluminescence characterization Inorganica Chimica Acta, 2011, 366, 262 |
| 1549445 | CIF | C14 H4 N6 O17 Re2 | P -1 | 6.345; 8.881; 10.383 98.159; 91.828; 99.464 | 570.36 | Illán-Cabeza, Nuria A.; García-García, Antonio R.; Moreno-Carretero, Miguel N. Complexes with 6-amino-5-nitroso-2-thiouracil and violuric acid derivatives containing the fac-ReI(CO)3 core: Synthesis, XRD structural and photoluminescence characterization Inorganica Chimica Acta, 2011, 366, 262 |
| 1549446 | CIF | C92 H80 Au4 N16 O13 P4 | P b n a | 17.898; 22.4914; 23.4 90; 90; 90 | 9420 | Illán-Cabeza, Nuria A; García-García, Antonio R; Martínez-Martos, José M; Ramírez-Expósito, María J; Peña-Ruiz, Tomás; Moreno-Carretero, Miguel N A potential antitumor agent, (6-amino-1-methyl-5-nitrosouracilato-N3)-triphenylphosphine-gold(I): structural studies and in vivo biological effects against experimental glioma. European journal of medicinal chemistry, 2013, 64, 260-272 |
| 1549447 | CIF | C9 H11 N5 O S2 | C 1 2/c 1 | 26.673; 5.3966; 16.522 90; 95.49; 90 | 2367.3 | Illán-Cabeza, Nuria A; Peña-Ruiz, Tomás; Moreno-Carretero, Miguel N XRD and DFT-modelized structures of a pteridine-2,4(1H,3H)-dithione/N,N'-dimethylformamide H-bonded cluster (2:2). MO study of the coordination ability. Journal of molecular modeling, 2012, 18, 815-824 |
| 1549448 | CIF | C7 H6 N4 O2 | P 1 21/c 1 | 4.82; 9.782; 15.323 90; 93.407; 90 | 721.19 | Acuña-Cueva, Esther R.; Faure, René; Jiménez-Pulido, Sonia B.; Moreno-Carretero, Miguel N.; Peña-Ruiz, Tomás Study of the chelating capacity of nucleobase analogs with biological interest: XRD structural study and ab initio molecular orbital calculations on 1-methyl and 1,6,7-trimethyllumazine Journal of Molecular Structure, 2004, 697, 65 |
| 1549449 | CIF | C9 H10 N4 O2 | C 1 2 1 | 16.136; 6.585; 10.538 90; 125.15; 90 | 915.54 | Acuña-Cueva, Esther R.; Faure, René; Jiménez-Pulido, Sonia B.; Moreno-Carretero, Miguel N.; Peña-Ruiz, Tomás Study of the chelating capacity of nucleobase analogs with biological interest: XRD structural study and ab initio molecular orbital calculations on 1-methyl and 1,6,7-trimethyllumazine Journal of Molecular Structure, 2004, 697, 65 |
| 1549450 | CIF | C12 H24 Co N7 O9 | R 3 c :H | 19.835; 19.835; 29.0373 90; 90; 120 | 9893.5 | Xu, Song; Ashley, Daniel C.; Kwon, Hyuk-Yong; Ware, Gabrielle R.; Chen, Chun-Hsing; Losovyj, Yaroslav; Gao, Xinfeng; Jakubikova, Elena; Smith, Jeremy M. A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex. Chemical science, 2018, 9, 4950-4958 |
| 1549451 | CIF | C14 H27 Br3 Co N5 | P 1 21/c 1 | 9.9394; 9.5494; 21.4604 90; 90.9342; 90 | 2036.65 | Xu, Song; Ashley, Daniel C.; Kwon, Hyuk-Yong; Ware, Gabrielle R.; Chen, Chun-Hsing; Losovyj, Yaroslav; Gao, Xinfeng; Jakubikova, Elena; Smith, Jeremy M. A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex. Chemical science, 2018, 9, 4950-4958 |
| 1549452 | CIF | C42 H36 N2 O4 | P -1 | 8.8034; 9.6631; 10.5046 102.117; 107.299; 102.283 | 797.12 | Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W. Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes. Chemical science, 2018, 9, 5415-5426 |
| 1549453 | CIF | C46 H34 F10 N2 O4 | P -1 | 7.6139; 10.1143; 12.847 95.814; 92.348; 93.463 | 981.35 | Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W. Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes. Chemical science, 2018, 9, 5415-5426 |
| 1549454 | CIF | C70 H82 F10 N2 O4 | P 1 21/c 1 | 22.741; 7.648; 35.273 90; 96.81; 90 | 6091.51 | Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W. Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes. Chemical science, 2018, 9, 5415-5426 |
| 1549455 | CIF | C54 H50 F4 N10 O2 | P -1 | 12.392; 17.6527; 18.8864 95.161; 103.759; 106.881 | 3783.4 | Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W. Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes. Chemical science, 2018, 9, 5415-5426 |
| 1549456 | CIF | C132 H112 Au6 B2 F8 N2 O P6 | P 21 21 21 | 13.7644; 24.8987; 35.6022 90; 90; 90 | 12201.4 | Guo, Ping; Yang, Biao; Zhang, Li; Zhao, Liang Temperature dependent chiroptical response of sigmoidal gold clusters: probing the stability of chiral metal clusters. Chemical science, 2018, 9, 5614-5622 |
| 1549457 | CIF | C14 H16 O2 | P 1 21/n 1 | 5.5798; 26.592; 8.0005 90; 108.656; 90 | 1124.72 | Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H. Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction. Chemical science, 2018, 9, 5389-5393 |
| 1549458 | CIF | C14 H16 O2 | P 1 21/c 1 | 16.348; 6.781; 10.091 90; 100.02; 90 | 1101.6 | Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H. Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction. Chemical science, 2018, 9, 5389-5393 |
| 1549459 | CIF | C14 H16 O2 | P 1 21/c 1 | 10.7209; 13.1604; 8.2158 90; 105.789; 90 | 1115.44 | Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H. Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction. Chemical science, 2018, 9, 5389-5393 |
| 1549460 | CIF | C18 H22 O2 | P 1 21/c 1 | 14.4406; 9.5463; 10.3489 90; 98.2686; 90 | 1411.8 | Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H. Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction. Chemical science, 2018, 9, 5389-5393 |
| 1549461 | CIF | C14 H16 O2 | P 1 21/n 1 | 6.5568; 15.0022; 11.4025 90; 97.5881; 90 | 1111.8 | Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H. Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction. Chemical science, 2018, 9, 5389-5393 |
| 1549462 | CIF | C18 H22 O2 | P 1 21/c 1 | 9.7545; 9.4518; 15.7484 90; 103.855; 90 | 1409.72 | Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H. Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction. Chemical science, 2018, 9, 5389-5393 |
| 1549463 | CIF | C15 H20 O2 | P -1 | 6.8954; 8.3622; 12.1458 106.492; 92.7147; 108.899 | 627.79 | Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H. Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction. Chemical science, 2018, 9, 5389-5393 |
| 1549464 | CIF | C15 H20 O2 | P 21 21 21 | 10.3761; 10.82; 10.8988 90; 90; 90 | 1223.6 | Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H. Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction. Chemical science, 2018, 9, 5389-5393 |
| 1549465 | CIF | C105 H87 Au13 Cu4 N3 P3 Se9 | R -3 c | 24.2592; 24.2592; 74.473 90; 90; 120 | 37956.2 | Song, Yongbo; Lv, Ying; Zhou, Meng; Luo, Tian-Yi; Zhao, Shuo; Rosi, Nathaniel L.; Yu, Haizhu; Zhu, Manzhou; Jin, Rongchao Single Ligand Exchange on an Au-Cu Bimetal Nanocluster and Mechanism Nanoscale, 2018 |
| 1549466 | CIF | C38 H22.2 O2 | P 1 21/c 1 | 7.538; 9.367; 18.374 90; 100.039; 90 | 1277.5 | Inagaki, Yuki; Mutoh, Katsuya; Abe, Jiro Stepwise photochromism of bisnaphthopyrans exhibiting an excitation intensity-dependent color change. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 946-953 |
| 1549467 | CIF | C2 H3 Na O2 | P c c a | 5.9482; 10.0866; 5.8984 90; 90; 90 | 353.89 | Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss New Polymorphs of the Phase-Change Material Sodium Acetate Crystals, 2018, 8, 213 |
| 1549468 | CIF | C2 H3 Na O2 | P 4/n m m :2 | 4.156; 4.156; 10.053 90; 90; 90 | 173.64 | Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss New Polymorphs of the Phase-Change Material Sodium Acetate Crystals, 2018, 8, 213 |
| 1549469 | CIF | C44 N4 Ni O22 P4 Zr2 | I 41 c d | 44.7776; 44.7776; 7.6581 90; 90; 90 | 15355 | Rhauderwiek, Timo; Zhao, Haishuang; Hirschle, Patrick; Döblinger, Markus; Bueken, Bart; Reinsch, Helge; De Vos, Dirk; Wuttke, Stefan; Kolb, Ute; Stock, Norbert Highly stable and porous porphyrin-based zirconium and hafnium phosphonates - electron crystallography as an important tool for structure elucidation. Chemical science, 2018, 9, 5467-5478 |
| 1549470 | CIF | H3 Na O8 Se2 V | C 1 2/c 1 | 18.5779; 7.5662; 12.5844 90; 111.612; 90 | 1644.6 | Stefano Canossa; Giovanni Predieri; Claudia Graiff Mild Synthesis and Structural Characterization of a Novel Vanadyl Selenite-Hydrogen Selenite Phase, Na[VO(SeO3)(HSeO3)].1,5H2O Crystals, 2018, 8, 215 |
| 1549471 | CIF | C56 H56 B2 | P 1 21/c 1 | 11.785; 19.051; 19.029 90; 93.29; 90 | 4265.3 | Chen, Chang-Hong; Gabbaï, François P Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide. Chemical science, 2018, 9, 6210-6218 |
| 1549472 | CIF | C48 H54 B2 N2 | C 1 2/c 1 | 18.849; 11.5959; 20.422 90; 106.914; 90 | 4270.6 | Chen, Chang-Hong; Gabbaï, François P Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide. Chemical science, 2018, 9, 6210-6218 |
| 1549473 | CIF | C79 H83 B2 Cl4 K N O6 | C 1 c 1 | 21.407; 13.6932; 23.988 90; 92.4764; 90 | 7025 | Chen, Chang-Hong; Gabbaï, François P Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide. Chemical science, 2018, 9, 6210-6218 |
| 1549474 | CIF | C71 H78 B2 Cl4 K N O6 | P 1 21/c 1 | 15.4096; 23.693; 19.0628 90; 112.948; 90 | 6409 | Chen, Chang-Hong; Gabbaï, François P Large-bite diboranes for the μ(1,2) complexation of hydrazine and cyanide. Chemical science, 2018, 9, 6210-6218 |
| 1549475 | CIF | C82 H126 Al2 N4 P2 Pd2 | P -1 | 12.8924; 13.4295; 13.7975 110.488; 112.313; 100.712 | 1925.1 | Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R. Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity. Chemical science, 2018, 9, 5435-5440 |
| 1549476 | CIF | C36 H48.9 Al Cl0.1 N2 | P 1 21/c 1 | 12.086; 22.1931; 12.9055 90; 106.077; 90 | 3326.2 | Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R. Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity. Chemical science, 2018, 9, 5435-5440 |
| 1549477 | CIF | C35 H47 Al N2 | P n m a | 16.6858; 20.95; 9.0089 90; 90; 90 | 3149.2 | Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R. Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity. Chemical science, 2018, 9, 5435-5440 |
| 1549478 | CIF | C85 H136 Al2 N4 P Pd | P -1 | 13.2046; 14.1589; 23.4405 94.72; 98.247; 108.643 | 4071.1 | Hooper, Thomas N.; Garçon, Martí; White, Andrew J. P.; Crimmin, Mark R. Room temperature catalytic carbon-hydrogen bond alumination of unactivated arenes: mechanism and selectivity. Chemical science, 2018, 9, 5435-5440 |
| 1549479 | CIF | C50 H33 Cl2 F7 N O Sb | R -3 | 28.6364; 28.6364; 29.7717 90; 90; 120 | 21143.2 | Yin, Jiangliang; Zhou, Fulin; Zhu, Lei; Yang, Mufan; Lan, Yu; You, Jingsong Annulation cascade of arylnitriles with alkynes to stable delocalized PAH carbocations via intramolecular rhodium migration Chemical Science, 2018 |
| 1549480 | CIF | C51.5 H35 Cl F6 N O3 Sb | P 1 21/n 1 | 9.14367; 44.3544; 12.23171 90; 109.948; 90 | 4663.08 | Yin, Jiangliang; Zhou, Fulin; Zhu, Lei; Yang, Mufan; Lan, Yu; You, Jingsong Annulation cascade of arylnitriles with alkynes to stable delocalized PAH carbocations via intramolecular rhodium migration Chemical Science, 2018 |
| 1549481 | CIF | C26 H20 Fe N12 O2 Pd | P -1 | 7.2613; 7.6635; 13.5746 95.988; 98.931; 90.085 | 742.04 | Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; Collet, Eric; Chan, Bun; Doheny, Patrick W.; Kepert, Cameron J.; Neville, Suzanne M. Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal. Chemical science, 2018, 9, 5623-5629 |
| 1549482 | CIF | C26 H20 Fe N12 O2 Pd | P -1 | 7.0836; 15.1242; 13.5688 96.424; 97.878; 90.09 | 1430.7 | Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; Collet, Eric; Chan, Bun; Doheny, Patrick W.; Kepert, Cameron J.; Neville, Suzanne M. Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal. Chemical science, 2018, 9, 5623-5629 |
| 1549483 | CIF | C26 H20 Fe N12 O2 Pt | P -1 | 7.2772; 7.6432; 13.5928 95.997; 98.598; 90.08 | 743.35 | Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; Collet, Eric; Chan, Bun; Doheny, Patrick W.; Kepert, Cameron J.; Neville, Suzanne M. Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal. Chemical science, 2018, 9, 5623-5629 |
| 1549484 | CIF | C24 H31 Br Co N3 O4 | P -1 | 10.302; 10.479; 12.612 72.875; 70.7; 76.245 | 1213.1 | Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X. Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations. Chemical science, 2018, 9, 5736-5746 |
| 1549485 | CIF | C40 H34 Co N6 O14 | P -1 | 11.724; 14; 15.95 66.86; 76.56; 68.44 | 2227 | Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X. Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations. Chemical science, 2018, 9, 5736-5746 |
| 1549486 | CIF | C33 H30 Co N3 O6 | P -1 | 11.416; 13.616; 13.991 73.027; 70.324; 69.364 | 1879 | Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X. Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations. Chemical science, 2018, 9, 5736-5746 |
| 1549487 | CIF | C46 H44 Co N3 O11 | P -1 | 11.93; 14.213; 17.277 98.862; 101.804; 112.978 | 2550 | Planas, O.; Roldán-Gómez, S; Martin-Diaconescu, V; Luis, J. M.; Company, A.; Ribas, X. Mechanistic insights into the S<sub>N</sub>2-type reactivity of aryl-Co(iii) masked-carbenes for C-C bond forming transformations. Chemical science, 2018, 9, 5736-5746 |
| 1549488 | CIF | C15 H20 Cl2 O6 Pd | C 1 2/m 1 | 11.6869; 8.8935; 8.551 90; 90.223; 90 | 888.76 | Eremin, Dmitry B.; Boiko, Daniil A.; Borkovskaya, Eugenia V.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P. Ten-fold boost of catalytic performance in thiol‒yne click reaction enabled by a palladium diketonate complex with a hexafluoroacetylacetonate ligand Catalysis Science & Technology, 2018, 8, 3073 |
| 1549489 | CIF | C10 H8 F6 O4 Pd | P -1 | 4.7881; 7.9629; 8.7923 80.994; 77.33; 72.621 | 310.64 | Eremin, Dmitry B.; Boiko, Daniil A.; Borkovskaya, Eugenia V.; Khrustalev, Victor N.; Chernyshev, Victor M.; Ananikov, Valentine P. Ten-fold boost of catalytic performance in thiol–yne click reaction enabled by a palladium diketonate complex with a hexafluoroacetylacetonate ligand Catalysis Science & Technology, 2018, 8, 3073 |
| 1549490 | CIF | C56 H24 Cl8 N6 | P -1 | 12.4209; 13.6925; 15.889 81.806; 74.263; 87.206 | 2574.3 | Le Vaillant, Franck; Garreau, Marion; Nicolai, Stefano; Gryn'ova, Ganna; Corminboeuf, Clemence; Waser, Jerome Fine-tuned organic photoredox catalysts for fragmentation-alkynylation cascades of cyclic oxime ethers. Chemical science, 2018, 9, 5883-5889 |
| 1549491 | CIF | C3 H8 N O5 P | P 1 21/c 1 | 8.682; 7.973; 9.875 90; 105.74; 90 | 657.9 | Knuuttila, Pekka; Knuuttila, Hilkka The Crystal and Molecular Structure of N-(Phosphonomethyl)glycine (Glyphosate) Acta Chemica Scandinavica, 1979, 623-626 |
| 1549492 | CIF | C72 H68 Cl2 O6 | P -1 | 13.85; 15.15; 17.46 73.28; 78.26; 77.43 | 3385.5 | Feng, Xing; Qi, Chunxuan; Feng, Hai-Tao; Zhao, Zheng; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Qin, Anjun; Tang, Ben Zhong Dual fluorescence of tetraphenylethylene-substituted pyrenes with aggregation-induced emission characteristics for white-light emission. Chemical science, 2018, 9, 5679-5687 |
| 1549493 | CIF | C50 H46 N2 | P -1 | 10.1039; 14.5087; 15.0844 65.241; 89.939; 69.932 | 1859.5 | Feng, Xing; Qi, Chunxuan; Feng, Hai-Tao; Zhao, Zheng; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Qin, Anjun; Tang, Ben Zhong Dual fluorescence of tetraphenylethylene-substituted pyrenes with aggregation-induced emission characteristics for white-light emission. Chemical science, 2018, 9, 5679-5687 |
| 1549494 | CIF HKL Paper | C10 H23 Cl3 N2 Pd | P 1 21/c 1 | 7.286; 17.379; 12.95 90; 102.769; 90 | 1599.2 | Oberley, Alan J.; Kadel, Lava R.; Senaratne, Nilmini K.; Eichhorn, David M. Tetraethylammonium (acetonitrile)trichloridopalladate(II) IUCrData, 2018, 3, x180750 |
| 1549495 | CIF | C26 H44 Cl Ir N O7 P | P 1 21/c 1 | 15.0632; 12.3425; 16.2371 90; 107.643; 90 | 2876.77 | Gregor, Lauren C.; Grajeda, Javier; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M. Salt-promoted catalytic methanol carbonylation using iridium pincer-crown ether complexes Catalysis Science & Technology, 2018, 8, 3133 |
| 1549496 | CIF | C26 H43 Ir N O7 P | P -1 | 7.7588; 15.5942; 24.116 89.185; 82.743; 89.582 | 2894.1 | Gregor, Lauren C.; Grajeda, Javier; White, Peter S.; Vetter, Andrew J.; Miller, Alexander J. M. Salt-promoted catalytic methanol carbonylation using iridium pincer-crown ether complexes Catalysis Science & Technology, 2018, 8, 3133 |
| 1549497 | CIF | C37 H28 N O P | P 1 21/n 1 | 21.3348; 5.9392; 23.3779 90; 102.485; 90 | 2892.2 | Xie, Zongliang; Yu, Tao; Chen, Junru; Ubba, Eethamukkala; Wang, Leyu; Mao, Zhu; Su, Tongtong; Zhang, Yi; Aldred, Matthew P.; Chi, Zhenguo Weak interactions but potent effect: tunable mechanoluminescence by adjusting intermolecular C-H···π interactions. Chemical science, 2018, 9, 5787-5794 |
| 1549498 | CIF | C37 H28 N O P | C 1 c 1 | 23.584; 6.0025; 21.526 90; 102.573; 90 | 2974.2 | Xie, Zongliang; Yu, Tao; Chen, Junru; Ubba, Eethamukkala; Wang, Leyu; Mao, Zhu; Su, Tongtong; Zhang, Yi; Aldred, Matthew P.; Chi, Zhenguo Weak interactions but potent effect: tunable mechanoluminescence by adjusting intermolecular C-H···π interactions. Chemical science, 2018, 9, 5787-5794 |
| 1549499 | CIF | C37 H27 Br2 Cl2 F6 Ir N5 P | P 1 21/n 1 | 14.2183; 13.7802; 19.1871 90; 97.389; 90 | 3728.1 | Erdmann, E.; Villinger, A.; König, B; Seidel, W. W. 1,10-Phenanthroline-dithiine iridium and ruthenium complexes: synthesis, characterization and photocatalytic dihydrogen evolution. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 1056-1067 |
| 1549500 | CIF | C42.5 H27 Cl F6 Ir N6 P S2 | P 1 21 1 | 22.4564; 13.5405; 25.1871 90; 91.785; 90 | 7654.9 | Erdmann, E.; Villinger, A.; König, B; Seidel, W. W. 1,10-Phenanthroline-dithiine iridium and ruthenium complexes: synthesis, characterization and photocatalytic dihydrogen evolution. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 1056-1067 |
| 1549501 | CIF | C70 H95 Fe2 N17 O23 | P 1 2/n 1 | 12.2471; 18.3327; 17.6262 90; 95.002; 90 | 3942.41 | Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C. Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes. Chemical science, 2018, 9, 5773-5780 |
| 1549502 | CIF | C56 H60 Fe2 N16 O19 | P -1 | 11.359; 11.8525; 13.7993 68.492; 83.722; 66.929 | 1588.95 | Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C. Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes. Chemical science, 2018, 9, 5773-5780 |
| 1549503 | CIF | C38 H51 Co N11 O11 | P 1 21/n 1 | 11.8093; 19.833; 18.2984 90; 93.921; 90 | 4275.7 | Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C. Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes. Chemical science, 2018, 9, 5773-5780 |
| 1549504 | CIF | C36 H51 N7 O5 Zn | P 21 21 21 | 11.1043; 17.4254; 19.3342 90; 90; 90 | 3741.11 | Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C. Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes. Chemical science, 2018, 9, 5773-5780 |
| 1549505 | CIF | C36 H51 Fe N7 O5 | P 21 21 21 | 11.0981; 17.442; 19.3054 90; 90; 90 | 3737.01 | Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C. Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes. Chemical science, 2018, 9, 5773-5780 |
| 1549506 | CIF | C34 H45 Mn N9 O11 | P -1 | 10.2415; 11.6883; 18.9061 97.1912; 96.6555; 104.782 | 2145.12 | Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C. Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes. Chemical science, 2018, 9, 5773-5780 |
| 1549507 | CIF | C38 H54 N10 O12 Zn | P -1 | 10.1375; 11.6574; 19.0003 97.688; 96.622; 103.818 | 2135.4 | Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C. Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes. Chemical science, 2018, 9, 5773-5780 |
| 1549508 | CIF | C39 H48 Co N10 O5 | P -1 | 10.2617; 11.3806; 19.5188 105.524; 98.363; 94.721 | 2155.33 | Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C. Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes. Chemical science, 2018, 9, 5773-5780 |
| 1549509 | CIF | C34 H45 Fe N9 O11 | P -1 | 10.2009; 11.6975; 18.9343 97.4707; 96.4933; 104.418 | 2144.57 | Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C. Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes. Chemical science, 2018, 9, 5773-5780 |
| 1549510 | CIF | C40 H30 | P 1 21/c 1 | 9.2297; 10.6903; 27.8883 90; 91.6399; 90 | 2750.6 | Mannancherry, Rajesh; Rickhaus, Michel; Häussinger, Daniel; Prescimone, Alessandro; Mayor, Marcel Molecular dynamic staircases: all-carbon axial chiral "Geländer" structures. Chemical science, 2018, 9, 5758-5766 |
| 1549511 | CIF | C40 H30 | P 1 21/c 1 | 8.5388; 14.2697; 22.0284 90; 94.249; 90 | 2676.7 | Mannancherry, Rajesh; Rickhaus, Michel; Häussinger, Daniel; Prescimone, Alessandro; Mayor, Marcel Molecular dynamic staircases: all-carbon axial chiral "Geländer" structures. Chemical science, 2018, 9, 5758-5766 |
| 1549512 | CIF | H4 O10 Si2 Zn4 | I m m 2 | 8.3881; 10.7179; 5.1311 90; 90; 90 | 461.3 | Seryotkin, Y.V.; Bakakin, V.V. Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 1bar, room temperature Physics and Chemistry of Minerals, 2011, 38, 679-684 |
| 1549513 | CIF | H4 O10 Si2 Zn4 | I m m 2 | 8.3512; 10.7136; 5.1092 90; 90; 90 | 457.13 | Seryotkin, Y.V.; Bakakin, V.V. Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 0.17 GPa, room temperature Physics and Chemistry of Minerals, 2011, 38, 679-684 |
| 1549514 | CIF | H4 O10 Si2 Zn4 | I m m 2 | 8.3359; 10.7125; 5.10008 90; 90; 90 | 455.43 | Seryotkin, Y.V.; Bakakin, V.V. Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 0.47 GPa, room temperature Physics and Chemistry of Minerals, 2011, 38, 679-684 |
| 1549515 | CIF | H4 O10 Si2 Zn4 | I m m 2 | 8.2849; 10.7055; 5.0843 90; 90; 90 | 450.95 | Seryotkin, Y.V.; Bakakin, V.V. Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 1.30 GPa, room temperature Physics and Chemistry of Minerals, 2011, 38, 679-684 |
| 1549516 | CIF | H4 O10 Si2 Zn4 | I m m 2 | 8.2453; 10.6959; 5.0691 90; 90; 90 | 447.05 | Seryotkin, Y.V.; Bakakin, V.V. Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 1.93 GPa, room temperature Physics and Chemistry of Minerals, 2011, 38, 679-684 |
| 1549517 | CIF | H4 O10 Si2 Zn4 | I m m 2 | 8.2209; 10.692; 5.0614 90; 90; 90 | 444.89 | Seryotkin, Y.V.; Bakakin, V.V. Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 2.44 GPa, room temperature Physics and Chemistry of Minerals, 2011, 38, 679-684 |
| 1549518 | CIF HKL Paper | C17 H19 N | P 1 21/n 1 | 6.7724; 7.1774; 26.793 90; 93.184; 90 | 1300.3 | Peloquin, Andrew J.; Smith, Madelyn B.; Balaich, Gary J.; Iacono, Scott T. (<i>E</i>)-1-[1-(3-Phenylcyclopenta-2,4-dien-1-ylidene)ethyl]pyrrolidine IUCrData, 2018, 3, x180764 |
| 1549519 | CIF | H4 O10 Si2 Zn4 | P n n 2 | 8.1407; 10.6127; 5.04567 90; 90; 90 | 435.92 | Seryotkin, Y.V.; Bakakin, V.V. Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 3.17 GPa, room temperature Physics and Chemistry of Minerals, 2011, 38, 679-684 |
| 1549520 | CIF HKL Paper | C19 H19 N3 O3 | P -1 | 7.5867; 10.268; 11.4684 95.592; 102.147; 109.987 | 806.72 | Koh, Dongsoo; Lee, Ji Hye 4-(3,5-Dimethoxyphenyl)-6-(2-methoxyphenyl)pyrimidin-2-amine IUCrData, 2018, 3, x180796 |
| 1549521 | CIF HKL Paper | C16 H24 Br4 Cd N2 O2 | P 1 21/n 1 | 16.7564; 7.9403; 17.9303 90; 103.777; 90 | 2317 | Umarani, Parthasarathy; Thiruvalluvar, Aravazhi Amalan; Ramachandra Raja, Chidambaram Bis(4-methoxybenzylammonium) tetrabromidocadmate(II) IUCrData, 2018, 3, x180795 |
| 1549522 | CIF | H4 O10 Si2 Zn4 | P n n 2 | 8.0863; 10.5218; 5.02927 90; 90; 90 | 427.9 | Seryotkin, Y.V.; Bakakin, V.V. Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 4.2 GPa, room temperature Physics and Chemistry of Minerals, 2011, 38, 679-684 |
| 1549523 | CIF | H4 O10 Si2 Zn4 | P n n 2 | 8.1034; 10.5561; 5.0324 90; 90; 90 | 430.47 | Seryotkin, Y.V.; Bakakin, V.V. Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 3.74 GPa, room temperature Physics and Chemistry of Minerals, 2011, 38, 679-684 |
| 1549524 | CIF | H6 N4 Ni O6 | P c a 21 | 11.0628; 6.0454; 9.3526 90; 90; 90 | 625.49 | Breternitz, Joachim; Godula-Jopek, Agata; Gregory, Duncan H. Ni(NH3)2(NO3)2 - A 3-D Network through Bridging Nitrate Units Isolated from the Thermal Decomposition of Nickel Hexammine Dinitrate Inorganics, 2018, 6 |
| 1549525 | CIF | C4 H6 Cl N3 O | P 1 21/n 1 | 8.1481; 6.8774; 10.9947 90; 95.97; 90 | 612.777 | Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions IUCrJ, 2018, 5 |
| 1549526 | CIF | C5 H7 Cl N5 O0.5 | P 1 2/n 1 | 8.6936; 4.8189; 17.6971 90; 93.526; 90 | 739.992 | Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions IUCrJ, 2018, 5 |
| 1549527 | CIF | C2.5 H3.5 Cl N2.5 O0.5 | P n m a | 13.5939; 6.4841; 9.86 90; 90; 90 | 869.1 | Kumar, Prashant; Cabaj, Malgorzata Katarzyna; Pazio, Aleksandra; Dominiak, Paulina Maria Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions IUCrJ, 2018, 5 |
| 1549528 | CIF HKL Paper | C19 H16 O3 | P -1 | 6.8573; 7.4073; 15.55 87.843; 78.892; 72.347 | 738.4 | Biruntha, K.; Reuben Jonathan, D.; Mohamooda Sumaya, U.; Dravida Thendral, E. R. A.; Usha, G. (3<i>E</i>)-3-[(2<i>E</i>)-3-(4-Methoxyphenyl)prop-2-enylidene]-2,3-dihydro-4<i>H</i>-chromen-4-one IUCrData, 2018, 3, x180829 |
| 1549529 | CIF HKL Paper | C19.83 H29 Cl3 N4 O2.17 | P -1 | 11.0118; 11.7295; 11.7453 66.009; 67.12; 66.057 | 1220.4 | Van Erdewyk, Martha L.; Oshin, Kayode D. Crystal structure of tris[(pyridin-1-ium-2-yl)methyl]amine trichloride‒methanol‒water (1/1.829/0.342) IUCrData, 2018, 3, x180826 |
| 1549530 | CIF | C10 H4 Ba2 O9 | C 1 2/c 1 | 7.8089; 17.5619; 9.148 90; 114.512; 90 | 1141.48 | Köferstein, Roberto; Robl, Christian M2(H2O)[μ10-C6H2(COO)4] (M= Ba2+, Pb2+) - Two Isotypic Three-Dimensional Coordination Polymers with a Layer-like Separation between Anions and Cations Zeitschrift für anorganische und allgemeine Chemie, 2015, 641, 1150 |
| 1549531 | CIF | C10 H4 O9 Pb2 | C 1 2/c 1 | 7.567; 17.228; 8.902 90; 113.59; 90 | 1063.5 | Köferstein, Roberto; Robl, Christian M2(H2O)[μ10-C6H2(COO)4] (M= Ba2+, Pb2+) - Two Isotypic Three-Dimensional Coordination Polymers with a Layer-like Separation between Anions and Cations Zeitschrift für anorganische und allgemeine Chemie, 2015, 641, 1150 |
| 1549532 | CIF | C14 H41 Co2 N8 O13 | P -1 | 8.002; 12.2548; 14.0384 100.282; 94.515; 95.596 | 1341.57 | Köferstein, Roberto; Robl, Christian Synthesis, Crystal Structure, and Hydrogen Bonding of μ-Hydroxo-μ-peroxo-bis[bis(ethylenediamine)cobalt(III)] Squarate Zeitschrift für anorganische und allgemeine Chemie, 2016, 642, 560 |
| 1549533 | CIF | C19 H30 Cu N4 O16 | P 1 21/n 1 | 9.5848; 14.6574; 18.2114 90; 97.655; 90 | 2535.7 | Köferstein, Roberto; Robl, Christian A Novel One-Dimensional Copper Mellitate Complex Featured by {Cu(H2O)2(urea)[C6(COO)4(COOH)2]}n2n-Polyanions Zeitschrift für anorganische und allgemeine Chemie, 2015, 641, 1886 |
| 1549534 | CIF | C13 H21 Cu1.5 N O13 | P -1 | 7.7256; 11.1036; 11.1198 98.72; 108.246; 95.559 | 884.8 | Köferstein, Roberto; Robl, Christian Synthesis and Crystal Structure of Two CuII-benzene-1,2,4,5-tetracarboxylates with Three-Dimensional Open Frameworks Zeitschrift für anorganische und allgemeine Chemie, 2014, 640, 310 |
| 1549535 | CIF | C13 H18 Cu2 N O12 | P 1 2/c 1 | 11.5934; 10.5944; 15.822 90; 106.13; 90 | 1866.8 | Köferstein, Roberto; Robl, Christian Synthesis and Crystal Structure of Two CuII-benzene-1,2,4,5-tetracarboxylates with Three-Dimensional Open Frameworks Zeitschrift für anorganische und allgemeine Chemie, 2014, 640, 310 |
| 1549536 | CIF | C17 H19 Co N2 O7 | C 1 2/c 1 | 16.518; 15.555; 16.111 90; 104.402; 90 | 4009.4 | Li, Ming; Ma, Chuang; Liu, Xiong; Su, Jun; Cui, Xiaofeng; He, Yunbin Synthesis of a 2D phosphorus material in a MOF-based 2D nano-reactor. Chemical science, 2018, 9, 5912-5918 |
| 1549537 | CIF | C37 H45 Co2 N5 O15 | C 1 2/c 1 | 16.418; 15.589; 16.101 90; 103.863; 90 | 4000.9 | Li, Ming; Ma, Chuang; Liu, Xiong; Su, Jun; Cui, Xiaofeng; He, Yunbin Synthesis of a 2D phosphorus material in a MOF-based 2D nano-reactor. Chemical science, 2018, 9, 5912-5918 |
| 1549538 | CIF | C23 H33 B Br N O6 | P 21 21 21 | 10.0308; 12.6903; 19.943 90; 90; 90 | 2538.6 | Chen, Lili; Shen, Jun-Jian; Gao, Qian; Xu, Senmiao Synthesis of cyclic chiral α-amino boronates by copper-catalyzed asymmetric dearomative borylation of indoles. Chemical science, 2018, 9, 5855-5859 |
| 1549539 | CIF | C29 H40 Cu4 N2 O23 | P -1 | 10.575; 11.66; 15.767 106.08; 90.73; 94.05 | 1862.4 | Köferstein, Roberto; Robl, Christian Synthesis, Crystal Structure, Hydrogen Bonding, and Thermal Behavior of a Three-Dimensional CuII-benzene-1,2,4,5-tetracarboxylate Templated by 1,9-Diaminononane Zeitschrift für anorganische und allgemeine Chemie, 2014, 640, 1937 |
| 1549540 | CIF | C9 H8 Cd O8 | C 1 2/c 1 | 19.73; 9.1074; 13.3681 90; 117.897; 90 | 2123 | Köferstein, Roberto; Robl, Christian Cd(H2O)2[C6H3(COO)2(COOH)] - Ein zweidimensionales Koordinationspolymer mit Kationenaustauschermerkmalen Zeitschrift für Anorganische und Allgemeine Chemie, 2005, 631, 1035 |
| 1549541 | CIF | C14 H18 Cu2 N2 O14 | P -1 | 7.2394; 8.1338; 9.31 74.24; 79.235; 65.451 | 478.19 | Köferstein, Roberto; Robl, Christian Über die Schichtstruktur von Cu2(H2O)4[C4H4N2][C6H2(COO)4]·2H2O Zeitschrift für anorganische und allgemeine Chemie, 2005, 631, 1756 |
| 1549542 | CIF | C16 H34 N2 Ni O16 | P -1 | 6.9123; 9.2484; 10.8243 74.208; 75.558; 68.251 | 609.85 | Köferstein, Roberto; Robl, Christian [(C6H10)(NH3)2][Ni(H2O)4C6H2(COO)4]·4H2O ‒ A Coordination Polymer with the Chain-like Polyanion {Ni(H2O)4[C6H2(COO)4]2−}n Zeitschrift für anorganische und allgemeine Chemie, 2007, 633, 1323 |
| 1549543 | CIF | C60 H48 N4 O4 | P -1 | 12.0014; 13.0411; 17.0476 88.379; 81.381; 74.642 | 2543.6 | Zhang, Hao; Wu, Yongzhen; Zhang, Weiwei; Li, Erpeng; Shen, Chao; Jiang, Huiyun; Tian, He; Zhu, Wei-Hong Low cost and stable quinoxaline-based hole-transporting materials with a D-A-D molecular configuration for efficient perovskite solar cells. Chemical science, 2018, 9, 5919-5928 |
| 1549544 | CIF | C59 H50 Cl2 N4 O4 S2 | P n a 21 | 25.387; 27.537; 21.8595 90; 90; 90 | 15282 | Zhang, Hao; Wu, Yongzhen; Zhang, Weiwei; Li, Erpeng; Shen, Chao; Jiang, Huiyun; Tian, He; Zhu, Wei-Hong Low cost and stable quinoxaline-based hole-transporting materials with a D-A-D molecular configuration for efficient perovskite solar cells. Chemical science, 2018, 9, 5919-5928 |
| 1549545 | CIF | C13 H13 N O5 S | P 21 21 21 | 4.9869; 11.7644; 22.1329 90; 90; 90 | 1298.49 | Aujard-Catot, Julien; Nguyen, Michel; Bijani, Christian; Pratviel, Geneviève; Bonduelle, Colin Cd2+ coordination: an efficient structuring switch for polypeptide polymers Polymer Chemistry, 2018, 9, 4100 |
| 1549546 | CIF | C16 H22 Co N2 O10 | C 1 2/c 1 | 10.6592; 15.6897; 11.4088 90; 90.101; 90 | 1908 | Köferstein, Roberto; Robl, Christian Co[(C6H10)(NH3)2][C6H2(COO)4]· 2H2O und Zn[(C6H12)(NH3)2][C6H2(COO)4]·1/2H2O - Zwei zeolithartige dreidimensionale Koordinationspolymere Zeitschrift für anorganische und allgemeine Chemie, 2003, 629, 2186 |
| 1549547 | CIF | C16 H21 N2 O8.5 Zn | P 1 21/n 1 | 10.8778; 15.1518; 11.6221 90; 96.249; 90 | 1904.2 | Köferstein, Roberto; Robl, Christian Co[(C6H10)(NH3)2][C6H2(COO)4]· 2H2O und Zn[(C6H12)(NH3)2][C6H2(COO)4]·1/2H2O - Zwei zeolithartige dreidimensionale Koordinationspolymere Zeitschrift für anorganische und allgemeine Chemie, 2003, 629, 2186 |
| 1549548 | CIF | C12 H17 Cu1.5 N O12 | P -1 | 7.9973; 9.7743; 10.8627 87.194; 84.679; 74.744 | 815.4 | Köferstein, Roberto; Robl, Christian Cu2[Cu(H2O)4][(CH2)4(NH3)2][C6H2(COO)4]2·4H2O — Ein dreidimensionales Koordinationspolymer mit negativer Überschußladung und kanalartigen Hohlräumen Zeitschrift für anorganische und allgemeine Chemie, 2003, 629, 1374 |
| 1549549 | CIF | C32 H38 Mn4 N2 O32 | P -1 | 9.997; 13.1442; 16.458 101.096; 92.796; 96.03 | 2105.2 | Köferstein, Roberto; Robl, Christian [Mn(H2O)2]4[HNC5H4(COO)]2[C6H2(COO)4]2·4H2O— Ein dreidimensionales Koordinationspolymer mit Gastwassermolekülen in kanalartigen Hohlräumen Zeitschrift für anorganische und allgemeine Chemie, 2004, 630, 185 |
| 1549550 | CIF | C H5.2 Cu O4.6 P | C 1 2/m 1 | 14.836; 6.6844; 4.363 90; 93.28; 90 | 431.97 | Köferstein, Roberto; Arnold, Michael; Robl, Christian A Novel Three-Dimensional Copper(II) 1,2-Ethylenediphosphonate Framework with Channel-like Voids Zeitschrift für anorganische und allgemeine Chemie, 2016, 642, 1126 |
| 1549551 | CIF | C4 H14 Cu2 O14 P2 | C 1 2/c 1 | 16.233; 6.24; 14.955 90; 122.45; 90 | 1278.3 | Köferstein, Roberto; Arnold, Michael; Robl, Christian Synthesis, Crystal Structure, and Characterization of Two Novel One- and Two-Dimensionally Polymeric Copper(II) Phosphonoacetates Zeitschrift für anorganische und allgemeine Chemie, 2017, 643, 276 |
| 1549552 | CIF | C2 H12 Cu1.5 O10 P | P -1 | 6.082; 8.001; 10.836 94.98; 105.71; 109.84 | 468.08 | Köferstein, Roberto; Arnold, Michael; Robl, Christian Synthesis, Crystal Structure, and Characterization of Two Novel One- and Two-Dimensionally Polymeric Copper(II) Phosphonoacetates Zeitschrift für anorganische und allgemeine Chemie, 2017, 643, 276 |
| 1549553 | CIF | C4 H13 Cu O8 P | P b c a | 10.0717; 9.612; 21.809 90; 90; 90 | 2111.3 | Köferstein, Roberto; Arnold, Michael; Robl, Christian Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (RS )-2-Phosphonobutyric Acid' Zeitschrift für anorganische und allgemeine Chemie, 2018, 644, 205 |
| 1549554 | CIF | C3 H9 Cu O7 P | P b c a | 8.1247; 9.19; 21.023 90; 90; 90 | 1569.7 | Köferstein, Roberto; Arnold, Michael; Robl, Christian Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (RS )-2-Phosphonobutyric Acid' Zeitschrift für anorganische und allgemeine Chemie, 2018, 644, 205 |
| 1549555 | CIF | C19 H22 F3 N O3 S | P 21 21 21 | 9.1363; 13.549; 15.3864 90; 90; 90 | 1904.65 | Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement. Chemical science, 2018, 9, 5850-5854 |
| 1549556 | CIF | C23 H25 N O2 | P -1 | 8.5712; 9.5542; 12.0362 91.908; 103.104; 97.556 | 949.62 | Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement. Chemical science, 2018, 9, 5850-5854 |
| 1549557 | CIF | C17 H18 F3 N O3 S | P 21 21 21 | 8.0524; 10.279; 21.1646 90; 90; 90 | 1751.8 | Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement. Chemical science, 2018, 9, 5850-5854 |
| 1549558 | CIF | C17 H20 I2 In N O6 | P -1 | 8.5335; 8.9158; 15.6189 94.244; 92.845; 113.418 | 1083.39 | Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins. Chemical science, 2018, 9, 6041-6052 |
| 1549559 | CIF | C10 H8 I3 In O2 | P -1 | 7.2953; 10.6797; 10.9105 71.041; 73.634; 78.807 | 766.42 | Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins. Chemical science, 2018, 9, 6041-6052 |
| 1549560 | CIF | C16 H9 Cl O3 | P 21 21 21 | 3.8763; 12.0424; 26.146 90; 90; 90 | 1220.5 | Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins. Chemical science, 2018, 9, 6041-6052 |
| 1549561 | CIF | C9 H4 I N O4 | P -1 | 8.749; 9.0176; 12.167 92.712; 100.266; 92.8365 | 941.85 | Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins. Chemical science, 2018, 9, 6041-6052 |
| 1549562 | CIF HKL Paper | C5 H17 I N Na O5 | P -1 | 5.8131; 7.6682; 26.7168 90.221; 91.168; 91.44 | 1190.29 | Nazarenko, Alexander Y. Betaine (trimethylammonioacetate) binary compound with sodium iodide IUCrData, 2018, 3, x180864 |
| 1549563 | CIF HKL Paper | C19 H16 N4 O3 | P 1 21/c 1 | 37.0489; 13.3154; 6.917 90; 93.771; 90 | 3404.9 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M. (<i>E</i>)-1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-(4-nitrophenyl)prop-2-en-1-one IUCrData, 2018, 3, x180841 |
| 1549564 | CIF | C23 H30 N2 | P b c n | 15.5646; 7.8895; 15.9608 90; 90; 90 | 1959.9 | Walther, Patrick; Frey, Wolfgang; Naumann, Stefan Polarized olefins as enabling (co)catalysts for the polymerization of γ-butyrolactone Polymer Chemistry, 2018, 9, 3674 |
| 1549565 | CIF | C49 H46 Cl4 Os P2 Si | P 1 21/c 1 | 11.60758; 16.9798; 22.4892 90; 94.829; 90 | 4416.76 | Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen Facile synthesis of polycyclic metallaarynes. Chemical science, 2018, 9, 5994-5998 |
| 1549566 | CIF | C53 H48 Cl4 Os P2 Si | I 1 2 1 | 13.9889; 16.453; 21.3301 90; 97.273; 90 | 4869.82 | Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen Facile synthesis of polycyclic metallaarynes. Chemical science, 2018, 9, 5994-5998 |
| 1549567 | CIF | C55 H52 Cl8 Os P2 Si | P 1 21/m 1 | 11.4227; 17.2735; 13.9125 90; 102.838; 90 | 2676.46 | Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen Facile synthesis of polycyclic metallaarynes. Chemical science, 2018, 9, 5994-5998 |
| 1549568 | CIF | C36 H36 As Cl F6 N9 O6 S2 | P 1 21/c 1 | 14.2067; 15.9799; 18.6556 90; 94.05; 90 | 4224.6 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549569 | CIF | C37 H39 As F9 N9 O9 S3 | P 1 21/c 1 | 14.0065; 15.9167; 21.8331 90; 107.966; 90 | 4630.08 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549570 | CIF | C25 H19.5 N7.5 P | P 1 21/n 1 | 13.0553; 25.1646; 14.6359 90; 114.619; 90 | 4371.2 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549571 | CIF | C37 H39 F11 N9 O9 P S3 | P -1 | 13.753; 14.06; 14.321 109.504; 98.444; 111.998 | 2300 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549572 | CIF | C36 H39 F7 N9 O6 S2 Sb | P -1 | 13.1877; 13.3482; 13.4824 79.6653; 63.0215; 84.7868 | 2080.63 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549573 | CIF | C39 H42 F9 N10 O9 P S3 | P -1 | 10.8599; 10.9646; 20.3805 81.217; 83.234; 89.295 | 2381.6 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549574 | CIF | C38 H40.5 F9 N9.5 O9 S3 Sb | P -1 | 12.726; 18.899; 20.823 102.659; 97.475; 99.315 | 4750 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549575 | CIF | C27 H28 N4 O2 | C 1 2/c 1 | 22.679; 10.176; 21.562 90; 94.879; 90 | 4958 | Zhang, Liang; Liu, Shuya; Zhao, Zhiguo; Su, Hongmei; Hao, Jingcheng; Wang, Yao (Salen)Mn(iii)-catalyzed chemoselective acylazidation of olefins. Chemical science, 2018, 9, 6085-6090 |
| 1549576 | CIF Paper | C14 H12 O3 | P 21 21 21 | 7.4539; 7.8553; 17.2286 90; 90; 90 | 1008.78 | Kotha, Sambasivarao; Cheekatla, Subba Rao; Gunta, Rama Hexacyclo[6.5.1.0^1,5^.0^5,12^.0^7,11^.0^9,13^]tetradecane-4,6,14-trione IUCrData, 2018, 3, x180852 |
| 1549577 | CIF | C23 H20 I4 N2 O | P -1 | 7.3405; 11.1063; 16.76 83.668; 77.493; 78.301 | 1303.08 | Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B. The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding. Chemical science, 2018, 9, 5828-5836 |
| 1549578 | CIF | C23 H20 Br2 I2 N2 O | P -1 | 7.28; 10.9585; 16.0936 89.758; 79.735; 78.541 | 1237.53 | Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B. The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding. Chemical science, 2018, 9, 5828-5836 |
| 1549579 | CIF | C24 H16 F7 I2 N3 O6 S2 | P -1 | 8.0582; 11.0044; 17.7067 99.618; 91.239; 104.624 | 1494.58 | Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B. The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding. Chemical science, 2018, 9, 5828-5836 |
| 1549580 | CIF | C24 H16 F6 I2 N2 O6 S2 | P b c n | 22.337; 12.7364; 10.9081 90; 90; 90 | 3103.3 | Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B. The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding. Chemical science, 2018, 9, 5828-5836 |
| 1549581 | CIF | C22 H16 Br2 F I2 N3 | P 1 21/c 1 | 10.9739; 17.8839; 12.1266 90; 102.951; 90 | 2319.4 | Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B. The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding. Chemical science, 2018, 9, 5828-5836 |
| 1549582 | CIF | C36 H44 F I4 N3 | P 1 21/c 1 | 17.086; 18.092; 13.3174 90; 111.458; 90 | 3831.3 | Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B. The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding. Chemical science, 2018, 9, 5828-5836 |
| 1549583 | CIF | C22 H16 Cl2 I2 N2 | P 1 21/c 1 | 9.1408; 18.1854; 13.7305 90; 100.82; 90 | 2241.83 | Riel, Asia Marie S.; Decato, Daniel A.; Sun, Jiyu; Massena, Casey J.; Jessop, Morly J.; Berryman, Orion B. The intramolecular hydrogen bonded-halogen bond: a new strategy for preorganization and enhanced binding. Chemical science, 2018, 9, 5828-5836 |
| 1549584 | CIF HKL Paper | C18 H16 N4 O2 | P 1 21/n 1 | 9.2366; 10.2045; 16.1922 90; 92.144; 90 | 1525.1 | Moussaif, Ahmed; Ramli, Youssef; El Ghayati, Lhoussaine; Essassi, El Mokhtar; Mague, Joel T. Ethyl 5-(4-methylphenyl)-2,4,5,7-tetraazatricyclo[6.4.0.0^2,6^]dodeca-1(8),3,6,9,11-pentaene-3-carboxylate IUCrData, 2018, 3, x180892 |
| 1549585 | CIF HKL Paper | C11 H14 N2 O5 | P 1 21/n 1 | 7.7306; 16.8048; 9.3113 90; 102.001; 90 | 1183.2 | Missioui, Mohcine; El Fal, Mohammed; Taoufik, Jamal; Essassi, El Mokhtar; Mague, Joel T.; Ramli, Youssef 2-(3-Methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetic acid dihydrate IUCrData, 2018, 3, x180882 |
| 1549586 | CIF HKL Paper | C17 H13 Cl O3 S | P 1 21/c 1 | 13.1301; 11.9592; 10.3738 90; 112.041; 90 | 1509.9 | Piontek, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz 4-Chloronaphthalen-1-yl 4-methylbenzenesulfonate IUCrData, 2018, 3, x180889 |
| 1549587 | CIF HKL Paper | C24 H20 O6 S2 | P 1 21/n 1 | 12.227; 5.7229; 15.9353 90; 109.869; 90 | 1048.68 | Piontek, Aleksandra; Siodłak, Dawid; Zarychta, Bartosz Naphthalene-2,6-diyl bis(4-methylbenzenesulfonate) IUCrData, 2018, 3, x180890 |
| 1549588 | CIF | C17 H16 O2 Se | P 1 | 6.7562; 7.5182; 8.7692 107.83; 98.976; 113.06 | 370.28 | García-López, Diego; Civit, Marc G.; Vogels, Christopher M.; Ricart, Josep M.; Westcott, Stephen A.; Fernández, Elena; Carbó, Jorge J. Understanding the mechanism of transition metal-free anti addition to alkynes: the selenoboration case Catalysis Science & Technology, 2018, 8, 3617 |
| 1549589 | CIF | C15 H23 Br2 Co N3 O2 | P 1 21/n 1 | 10.2514; 14.6308; 12.6552 90; 92.105; 90 | 1896.82 | Midya, Siba P.; Pitchaimani, Jayaraman; Landge, Vinod G.; Madhu, Vedichi; Balaraman, Ekambaram Direct access toN-alkylated amines and iminesviaacceptorless dehydrogenative coupling catalyzed by a cobalt(ii)-NNN pincer complex Catalysis Science & Technology, 2018, 8, 3469 |
| 1549590 | CIF | C15 H29 B2 Cl2 Co F8 N5 O | P -1 | 6.838; 13.077; 13.377 89.44; 78.44; 82.78 | 1162.5 | Midya, Siba P.; Pitchaimani, Jayaraman; Landge, Vinod G.; Madhu, Vedichi; Balaraman, Ekambaram Direct access toN-alkylated amines and iminesviaacceptorless dehydrogenative coupling catalyzed by a cobalt(ii)-NNN pincer complex Catalysis Science & Technology, 2018, 8, 3469 |
| 1549591 | CIF | C32 H27 Cl3 N2 O7 S | P 1 21 1 | 10.664; 10.372; 14.789 90; 104.778; 90 | 1581.7 | Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts. Chemical science, 2018, 9, 6361-6367 |
| 1549592 | CIF | C15 H16 Br N O5 | P 1 21 1 | 5.8577; 14.389; 9.621 90; 94.654; 90 | 808.2 | Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts. Chemical science, 2018, 9, 6361-6367 |
| 1549593 | CIF | C67 H60 Cl2 N2 O8 P2 | P 21 21 21 | 11.4778; 13.6448; 36.849 90; 90; 90 | 5771 | Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts. Chemical science, 2018, 9, 6361-6367 |
| 1549594 | CIF | C47 H56 O8 P2 | P -1 | 12.7831; 14.6459; 14.8 116.231; 101.896; 102.26 | 2282.2 | Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts. Chemical science, 2018, 9, 6361-6367 |
| 1549595 | CIF | C26 H27 F N2 O4 | P -1 | 7.8572; 10.5461; 14.099 70.648; 88.911; 85.089 | 1098.2 | Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization. Chemical science, 2018, 9, 7327-7331 |
| 1549596 | CIF | C26 H28 N2 O4 | P -1 | 7.945; 10.546; 14.045 70.523; 88.065; 83.805 | 1103 | Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization. Chemical science, 2018, 9, 7327-7331 |
| 1549597 | CIF | C26 H28 N2 O4 | P 1 21/n 1 | 7.6953; 15.2435; 18.799 90; 97.426; 90 | 2186.7 | Mori, Keiji; Umehara, Nobuaki; Akiyama, Takahiko Highly diastereoselective synthesis of tricyclic fused-pyrans by sequential hydride shift mediated double C(sp<sup>3</sup>)-H bond functionalization. Chemical science, 2018, 9, 7327-7331 |
| 1549598 | CIF Paper | Al4.857 O9.571 Si1.143 | P b a m | 7.5787; 7.6707; 2.8836 90; 90; 90 | 167.635 | Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon Exploiting superspace to clarify vacancy and Al/Si ordering in mullite IUCrJ, 2018, 5 |
| 1549599 | CIF Paper | Al4.832 O9.584 Si1.168 | P b a m | 7.577; 7.6727; 2.8804 90; 90; 90 | 167.46 | Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon Exploiting superspace to clarify vacancy and Al/Si ordering in mullite IUCrJ, 2018, 5 |
| 1549600 | CIF Paper | Al4.868 O9.566 Si1.132 | P b a m | 7.5768; 7.676; 2.8833 90; 90; 90 | 167.69 | Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon Exploiting superspace to clarify vacancy and Al/Si ordering in mullite IUCrJ, 2018, 5 |
| 1549601 | CIF Paper | Al4.853 O9.574 Si1.147 | P b a m | 7.577; 7.6738; 2.8823 90; 90; 90 | 167.59 | Klar, Paul Benjamin; Etxebarria, Iñigo; Madariaga, Gotzon Exploiting superspace to clarify vacancy and Al/Si ordering in mullite IUCrJ, 2018, 5 |
| 1549602 | CIF | C52 H24 F16 I4 N4 | P 1 21/c 1 | 13.0184; 9.7153; 19.986 90; 104.649; 90 | 2445.6 | Sinnwell, Michael A.; Blad, Jared N.; Thomas, Logan R.; MacGillivray, Leonard R. Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization IUCrJ, 2018, 5 |
| 1549603 | CIF | C52 H24 F16 I4 N4 | P 1 21/c 1 | 12.9647; 10.2219; 19.519 90; 109.387; 90 | 2440.1 | Sinnwell, Michael A.; Blad, Jared N.; Thomas, Logan R.; MacGillivray, Leonard R. Structural flexibility of halogen bonds showed in a single-crystal-to-single-crystal [2+2] photodimerization IUCrJ, 2018, 5 |
| 1549604 | CIF HKL Paper | C45 H39 F6 Fe O4 P3 | P 1 21/n 1 | 9.10074; 17.7897; 24.9408 90; 97.7826; 90 | 4000.71 | Ma, Yuzhi; Lindeman, Sergey; Donaldson, William A. Dicarbonyl{[(<i>E</i>,<i>E</i>)-(2,3,4,5-η)-6-methoxy-6-oxo-2,4-hexadienyl]triphenylphosphonium}(triphenylphosphane-κ<i>P</i>)iron(1+) hexafluoridophosphate IUCrData, 2018, 3, x180902 |
| 1549605 | CIF HKL Paper | C12 H21 N O3 S | P 1 21/c 1 | 11.737; 8.8719; 14.3722 90; 106.616; 90 | 1434.1 | Seye, Dame; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Geiger, David K. Diisopropylammonium benzenesulfonate IUCrData, 2018, 3, x180876 |
| 1549606 | CIF HKL Paper | C28 H30 Mo N2 O4 P2 | P b c a | 15.634; 17.716; 21.661 90; 90; 90 | 5999 | Höhne, Martha; Gongoll, Marc; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe Tetracarbonyl[<i>N</i>-(diphenylphosphanyl-κ<i>P</i>)-<i>N</i>,<i>N</i>'-diisopropyl-<i>P</i>-phenylphosphorus diamide-κ<i>P</i>]molybdenum(0) with an unknown solvent IUCrData, 2018, 3, x180846 |
| 1549607 | CIF HKL Paper | C19 H13 F3 N4 | P 1 21/c 1 | 15.0553; 15.7338; 6.9701 90; 99.54; 90 | 1628.2 | El Hafi, Mohamed; Boulhaoua, Mohammed; Lahmidi, Sanae; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T. 1-Methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine IUCrData, 2018, 3, x180875 |
| 1549608 | CIF HKL Paper | C12 H15 N O4 S | P 1 21/c 1 | 8.834; 18.6849; 7.6927 90; 91.478; 90 | 1269.35 | Baryala, Yamna; El Bakri, Youness; Anouar, El Hassane; Zerzouf, Abdelfettahb; Essassi, El Mokhtar; Mague, Joel T. Ethyl 3-methyl-1-oxo-4<i>H</i>-1,4-benzothiazine-2-carboxylate monohydrate IUCrData, 2018, 3, x180887 |
| 1549609 | CIF | C28 H18 Cu3 N10 O15 | C 1 2/c 1 | 31.977; 18.3536; 14.7633 90; 91.413; 90 | 8661.8 | Ahmad, Nazir; Younus, Hussein A.; Chughtai, Adeel H.; Van Hecke, Kristof; Khattak, Zafar A. K.; Gaoke, Zhang; Danish, Muhammad; Verpoort, Francis Synthesis of 2D MOF having potential for efficient dye adsorption and catalytic applications Catalysis Science & Technology, 2018, 8, 4010 |
| 1549610 | CIF | C51 H59 N2 Ni S | P 1 21/c 1 | 13.0333; 16.6343; 19.8726 90; 96.392; 90 | 4281.6 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1549611 | CIF | C55.66667 H72 N2 Ni S | P -1 | 12.686; 19.394; 30.321 88.294; 80.235; 81.137 | 7264 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1549612 | CIF | C102 H172 K2 N4 Ni2 O12 S2 | P 1 21/n 1 | 18.558; 16.822; 19.0552 90; 96.441; 90 | 5911.2 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1549613 | CIF | C53 H89 K N4 Ni O6 S | P 1 21/n 1 | 12.7125; 22.4934; 20.0532 90; 102.126; 90 | 5606.2 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1549614 | CIF | C56 H80 K N2 Ni O6 S | P -1 | 13.1937; 13.2978; 16.6951 88.621; 74.52; 88.213 | 2821.1 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1549615 | CIF | C108.5 H175 K2 N8 Ni2 O14 S2 | P -1 | 11.847; 13.438; 19.455 94.052; 95.344; 91.766 | 3073.9 | Hartmann, Nathaniel J.; Wu, Guang; Hayton, Trevor W. Synthesis and reactivity of a nickel(ii) thioperoxide complex: demonstration of sulfide-mediated N<sub>2</sub>O reduction. Chemical science, 2018, 9, 6580-6588 |
| 1549616 | CIF | C37 H23 N O | P 1 21/n 1 | 12.115; 11.1281; 19.686 90; 106.472; 90 | 2545.1 | Wang, Sha-Sha; Rong, Rong; Jin, Ling-Zhi; Yang, Shan-Shan; Li, Yin-Xiang; Zhang, He; Xiong, Yu-Wei; Sun, Li-Tao; Cao, Hong-Tao; Xie, Ling-Hai; Huang, Wei Variable segment roles: modulation of the packing modes, nanocrystal morphologies and optical emissions. Nanoscale, 2018, 10, 13310-13314 |
| 1549617 | CIF | C37 H23 N O | P 1 21/c 1 | 9.4322; 16.5755; 16.9196 90; 90.836; 90 | 2645 | Wang, Sha-Sha; Rong, Rong; Jin, Ling-Zhi; Yang, Shan-Shan; Li, Yin-Xiang; Zhang, He; Xiong, Yu-Wei; Sun, Li-Tao; Cao, Hong-Tao; Xie, Ling-Hai; Huang, Wei Variable segment roles: modulation of the packing modes, nanocrystal morphologies and optical emissions. Nanoscale, 2018, 10, 13310-13314 |
| 1549618 | CIF | C37 H23 N O | P -1 | 8.581; 9.167; 17.575 89.893; 79.223; 70.216 | 1275.1 | Wang, Sha-Sha; Rong, Rong; Jin, Ling-Zhi; Yang, Shan-Shan; Li, Yin-Xiang; Zhang, He; Xiong, Yu-Wei; Sun, Li-Tao; Cao, Hong-Tao; Xie, Ling-Hai; Huang, Wei Variable segment roles: modulation of the packing modes, nanocrystal morphologies and optical emissions. Nanoscale, 2018, 10, 13310-13314 |
| 1549619 | CIF | C24 H23 I N2 O3 | P 21 21 21 | 6.8489; 15.7645; 19.4642 90; 90; 90 | 2101.54 | Meazza, Marta; Kamlar, Martin; Jašíková, Lucie; Formánek, Bedřich; Mazzanti, Andrea; Roithová, Jana; Veselý, Jan; Rios, Ramon Synergistic formal ring contraction for the enantioselective synthesis of spiropyrazolones. Chemical science, 2018, 9, 6368-6373 |
| 1549620 | CIF | C18 H19 N O5 S | P 21 21 21 | 19.1685; 5.7871; 14.8903 90; 90; 90 | 1651.78 | Li, Wei; Wollenburg, Marco; Glorius, Frank Enantioselective synthesis of 2-oxazolidinones by ruthenium(ii)-NHC-catalysed asymmetric hydrogenation of 2-oxazolones. Chemical science, 2018, 9, 6260-6263 |
| 1549621 | CIF | C33 H22 N4 O | P 1 21/c 1 | 9.3334; 19.56; 13.636 90; 94.259; 90 | 2482.5 | Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging. Chemical science, 2018, 9, 6150-6155 |
| 1549622 | CIF | C66 H44 N10 O8 Zn | P 1 21/c 1 | 13.3069; 18.6034; 27.4104 90; 102.321; 90 | 6629.3 | Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging. Chemical science, 2018, 9, 6150-6155 |
| 1549623 | CIF | C33 H22 N6 O7 Zn | P -1 | 10.4399; 11.3331; 13.2139 100.001; 99.774; 99.056 | 1488.9 | Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging. Chemical science, 2018, 9, 6150-6155 |
| 1549624 | CIF | C30 H30 Cl0 N8 O0 S2 Zn | P 1 21/c 1 | 16.408; 8.6188; 21.365 90; 97.571; 90 | 2995 | Fang, Yan; Li, Jie; Han, Pei-Pei; Han, Qiu-Xia; Li, Ming-Xue Less toxic zinc(ii), diorganotin(iv), gallium(iii) and cadmium(ii) complexes derived from 2-benzoylpyridine <i>N</i>,<i>N</i>-dimethylthiosemicarbazone: synthesis, crystal structures, cytotoxicity and investigations of mechanisms of action. Toxicology research, 2018, 7, 987-993 |
| 1549625 | CIF | C30 H30 Ga N9 O3 S2 | P 1 21/n 1 | 18.441; 8.936; 21.809 90; 94.29; 90 | 3583.81 | Fang, Yan; Li, Jie; Han, Pei-Pei; Han, Qiu-Xia; Li, Ming-Xue Less toxic zinc(ii), diorganotin(iv), gallium(iii) and cadmium(ii) complexes derived from 2-benzoylpyridine <i>N</i>,<i>N</i>-dimethylthiosemicarbazone: synthesis, crystal structures, cytotoxicity and investigations of mechanisms of action. Toxicology research, 2018, 7, 987-993 |
| 1549626 | CIF | C30 H30 Cd Cl0 N8 O0 S2 | C 1 2/c 1 | 16.9715; 23.6235; 15.9881 90; 102.867; 90 | 6249.1 | Fang, Yan; Li, Jie; Han, Pei-Pei; Han, Qiu-Xia; Li, Ming-Xue Less toxic zinc(ii), diorganotin(iv), gallium(iii) and cadmium(ii) complexes derived from 2-benzoylpyridine <i>N</i>,<i>N</i>-dimethylthiosemicarbazone: synthesis, crystal structures, cytotoxicity and investigations of mechanisms of action. Toxicology research, 2018, 7, 987-993 |
| 1549627 | CIF | C29 H28 N4 O2 S Sn | P 1 21/c 1 | 17.15; 10.549; 16.45 90; 101.78; 90 | 2913 | Fang, Yan; Li, Jie; Han, Pei-Pei; Han, Qiu-Xia; Li, Ming-Xue Less toxic zinc(ii), diorganotin(iv), gallium(iii) and cadmium(ii) complexes derived from 2-benzoylpyridine <i>N</i>,<i>N</i>-dimethylthiosemicarbazone: synthesis, crystal structures, cytotoxicity and investigations of mechanisms of action. Toxicology research, 2018, 7, 987-993 |
| 1549628 | CIF HKL Paper | C14 H16 N2 Na O10 Rb S2 | P n m a | 14.2754; 6.5831; 21.5365 90; 90; 90 | 2023.9 | Nazarenko, Alexander Y. Sodium rubidium disaccharinate tetrahydrate IUCrData, 2018, 3, x180867 |
| 1549629 | CIF | C48 H86 B Fe K2 N2 O6 P3 | P 1 n 1 | 12.8973; 12.5342; 17.2106 90; 98.668; 90 | 2750.4 | Deegan, Meaghan M.; Peters, Jonas C. Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes. Chemical science, 2018, 9, 6264-6270 |
| 1549630 | CIF | C64 H95 B Fe K N2 O10 P3 | P 1 21/c 1 | 11.3464; 35.5398; 15.8541 90; 90.839; 90 | 6392.5 | Deegan, Meaghan M.; Peters, Jonas C. Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes. Chemical science, 2018, 9, 6264-6270 |
| 1549631 | CIF | C47 H81 B Fe N3 P3 Si2 | P b c a | 11.3085; 24.2407; 37.5101 90; 90; 90 | 10282.5 | Deegan, Meaghan M.; Peters, Jonas C. Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes. Chemical science, 2018, 9, 6264-6270 |
| 1549632 | CIF | C49 H85 B Fe K N2 O P3 Si | P -1 | 12.4653; 13.091; 21.997 97.411; 95.734; 117.826 | 3095 | Deegan, Meaghan M.; Peters, Jonas C. Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes. Chemical science, 2018, 9, 6264-6270 |
| 1549633 | CIF | C79.22 H90.92 B2 F24 Fe N P3 | P 1 21/c 1 | 27.577; 15.5573; 38.526 90; 100.863; 90 | 16232 | Deegan, Meaghan M.; Peters, Jonas C. Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes. Chemical science, 2018, 9, 6264-6270 |
| 1549634 | CIF | C14 H21 B10 N | P 1 21/c 1 | 7.8295; 25.776; 11.1821 90; 128.014; 90 | 1778 | Lyu, Hairong; Quan, Yangjian; Xie, Zuowei Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles. Chemical science, 2018, 9, 6390-6394 |
| 1549635 | CIF | C14 H24 B10 Cl N O | P 1 21/n 1 | 11.4617; 7.484; 23.7344 90; 96.0865; 90 | 2024.45 | Lyu, Hairong; Quan, Yangjian; Xie, Zuowei Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles. Chemical science, 2018, 9, 6390-6394 |
| 1549636 | CIF | C18 H22 B10 N | A m a 2 | 7.224; 24.584; 11.2382 90; 90; 90 | 1995.85 | Lyu, Hairong; Quan, Yangjian; Xie, Zuowei Rhodium catalyzed cascade cyclization featuring B-H and C-H activation: one-step construction of carborane-fused N-polyheterocycles. Chemical science, 2018, 9, 6390-6394 |
| 1549637 | CIF | C30 H21.45 Cl O0.22 Si | R -3 | 17.2923; 17.2923; 13.9863 90; 90; 120 | 3621.9 | Zipse, Hendrik; Marin-Luna, Marta; Poelloth, Benjamin; Zott, Fabian L. Size-Dependent Rate Acceleration in the Silylation of Secondary Alcohols: the Bigger the Faster Chemical Science, 2018 |
| 1549638 | CIF | C34 H34 O Si | P 1 21/c 1 | 10.8826; 34.7232; 7.28 90; 104.291; 90 | 2665.83 | Zipse, Hendrik; Marin-Luna, Marta; Poelloth, Benjamin; Zott, Fabian L. Size-Dependent Rate Acceleration in the Silylation of Secondary Alcohols: the Bigger the Faster Chemical Science, 2018 |
| 1549639 | CIF | C28 H50 Li2 N4 O27 P6 | P n a 21 | 19.964; 9.417; 23.52 90; 90; 90 | 4422 | RAOUDHA, Bel Haj Salah; LAMIA, Khedhiri; MOHAMED, Rzaigui Crystal Structure of a Hybrid Cyclohexaphosphate: [o-C7H10NO]4Li2P6O18·5H2O X-ray Structure Analysis Online, 2010, 26, 45 |
| 1549640 | CIF | C49 H48 Br N O3 | P 21 21 21 | 10.118; 14.0353; 28.194 90; 90; 90 | 4003.8 | Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction. Chemical science, 2018, 9, 6446-6450 |
| 1549641 | CIF | C35 H40 N2 O4 | P 1 21 1 | 14.151; 14.717; 16.184 90; 111.316; 90 | 3139.9 | Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction. Chemical science, 2018, 9, 6446-6450 |
| 1549642 | CIF | C36 H43 N2 O6 S | P 1 21 1 | 11.571; 25.09; 11.915 90; 90; 90 | 3459.1 | Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction. Chemical science, 2018, 9, 6446-6450 |
| 1549643 | CIF | C138 H132 Dy10 N32 O54 P4 | P 1 21/c 1 | 24.731; 14.057; 25.496 90; 112.797; 90 | 8171 | Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate. Chemical science, 2018, 9, 6424-6433 |
| 1549644 | CIF | C134 H148 Dy10 N32 O66 P4 | P 1 21/c 1 | 24.653; 14.5645; 26.067 90; 112.969; 90 | 8617.5 | Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate. Chemical science, 2018, 9, 6424-6433 |
| 1549645 | CIF | C134 H148 Dy10 N32 O66 P4 | P 1 21/c 1 | 24.6145; 14.5657; 26.0805 90; 112.968; 90 | 8609.3 | Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate. Chemical science, 2018, 9, 6424-6433 |
| 1549646 | CIF | C134 H112 Dy10 N32 O50 P4 | P 1 21/c 1 | 25.525; 14.312; 25.318 90; 111.413; 90 | 8611 | Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate. Chemical science, 2018, 9, 6424-6433 |
| 1549647 | CIF | C140 H132 Cl6 Dy10 N32 O52 P4 | R 3 2 :H | 26.7135; 26.7135; 71.325 90; 90; 120 | 44079 | Tian, Haiquan; Su, Jing-Bu; Bao, Song-Song; Kurmoo, Mohamedally; Huang, Xin-Da; Zhang, Yi-Quan; Zheng, Li-Min Reversible ON-OFF switching of single-molecule-magnetism associated with single-crystal-to-single-crystal structural transformation of a decanuclear dysprosium phosphonate. Chemical science, 2018, 9, 6424-6433 |
| 1549648 | CIF | C70 H120 Cu13 F6 N6 O8 P S12 | C 1 2/c 1 | 33.833; 18.7022; 36.604 90; 111.908; 90 | 21489 | Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W. Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster. Chemical science, 2018, 9, 6785-6795 |
| 1549649 | CIF | C70 H120 Cu12 N6 O8 S13 | P 21 21 21 | 18.2449; 23.218; 23.3841 90; 90; 90 | 9905.7 | Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W. Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster. Chemical science, 2018, 9, 6785-6795 |
| 1549650 | CIF | C85 H102 Cl0.7 Cu12.3 F30 N6 O P S12 | P n n a | 21.8103; 22.977; 22.0395 90; 90; 90 | 11044.8 | Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W. Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster. Chemical science, 2018, 9, 6785-6795 |
| 1549651 | CIF | C87.5 H131 Cl Cu12 F6 N6 O0.5 P S12 | P -1 | 17.6501; 19.8146; 32.8484 86.5157; 89.7691; 75.775 | 11114.5 | Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W. Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster. Chemical science, 2018, 9, 6785-6795 |
| 1549652 | CIF | C86 H128 Br Cu12 F6 N6 P S12 | P -1 | 17.7551; 19.6625; 32.767 85.8425; 85.698; 76.1094 | 11055.9 | Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W. Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster. Chemical science, 2018, 9, 6785-6795 |
| 1549653 | CIF | C132 H234 Cl5 Cu24 F6 N12 O12 P S24 | C 1 2/c 1 | 31.396; 19.8294; 33.181 90; 97.8261; 90 | 20465 | Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W. Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster. Chemical science, 2018, 9, 6785-6795 |
| 1549654 | CIF | C74 H128 Cu12 N6 O8 S13 | P 21 21 21 | 19.1023; 23.8001; 24.5421 90; 90; 90 | 11157.7 | Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W. Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster. Chemical science, 2018, 9, 6785-6795 |
| 1549655 | CIF | C52 H62 Fe N5 O4 S2 | P -1 | 10.175; 16.218; 16.588 84.402; 81.108; 76.3 | 2622.2 | Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S. Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity. Chemical science, 2018, 9, 6540-6547 |
| 1549656 | CIF | C62 H87 Co N6 O4.5 S2 | P 1 21/n 1 | 17.4061; 10.7648; 31.052 90; 91.3044; 90 | 5816.8 | Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S. Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity. Chemical science, 2018, 9, 6540-6547 |
| 1549657 | CIF | C50 H72 Ga N5 O6 S2 | P 1 21/c 1 | 16.1329; 27.6083; 13.2048 90; 105.613; 90 | 5664.4 | Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S. Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity. Chemical science, 2018, 9, 6540-6547 |
| 1549658 | CIF | C56 H70 Co N5 O5 S2 | P -1 | 18.006; 18.271; 18.568 110.972; 109.602; 95.477 | 5209.6 | Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S. Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity. Chemical science, 2018, 9, 6540-6547 |
| 1549659 | CIF | C59 H93 Fe N5 O6 S2 | P -1 | 9.4615; 18.3994; 18.765 107.605; 100.024; 93.8094 | 3041.4 | Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S. Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity. Chemical science, 2018, 9, 6540-6547 |
| 1549660 | CIF | C60 H82 Fe N6 O4 S2 | P -1 | 10.6709; 17.4933; 17.8715 113.478; 98.8759; 91.3574 | 3009.9 | Cook, Sarah A.; Bogart, Justin A.; Levi, Noam; Weitz, Andrew C.; Moore, Curtis; Rheingold, Arnold L.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S. Mononuclear complexes of a tridentate redox-active ligand with sulfonamido groups: structure, properties, and reactivity. Chemical science, 2018, 9, 6540-6547 |
| 1549661 | CIF | C20 H26 N2 O4 S | P n a 21 | 14.59; 9.6772; 28.074 90; 90; 90 | 3963.8 | Mondieig, D.; Négrier, Ph.; Léger, J. M.; Massip, S.; Benali, B.; Jermoumi, C.; Lakhrissi, B. Crystal Structure of 2-S-(1′-Deoxy-2′,3′:4′,5′-di-O-isopropylidene-D,L-xylit-1′-ylthio)-3-methylquinoxaline X-ray Structure Analysis Online, 2010, 26, 1 |
| 1549662 | CIF | C14 H20 Bi Cl5 N2 O2 | P 1 21/c 1 | 12.318; 21.486; 8.001 90; 83.52; 90 | 2104.1 | Hrizi, Chakib; Chaabouni, Slaheddine Synthesis and Crystal Structure of [C6H4OCH3NH3]2BiCl5 X-ray Structure Analysis Online, 2010, 26, 3 |
| 1549663 | CIF | C22 H21 N O3 S | P -1 | 9.3819; 10.3076; 10.6318 90.7648; 114.212; 100.138 | 918.87 | Leitch, Jamie A.; Fuentes de Arriba, Angel L.; Tan, Joanne; Hoff, Oskar; Martínez, Carlos M; Dixon, Darren J. Photocatalytic reverse polarity Povarov reaction. Chemical science, 2018, 9, 6653-6658 |
| 1549664 | CIF HKL Paper | C21 H24 N2 O S | P 1 21/c 1 | 14.898; 14.878; 8.4007 90; 96.78; 90 | 1849 | Akrad, Rachida; Guerrab, Walid; Lazrak, Fatima; Ansar, Mhammed; Taoufik, Jamal; Mague, Joel T.; Ramli, Youssef 4,4-Diphenyl-1-propyl-2-propylsulfanyl-4,5-dihydro-1<i>H</i>-imidazol-5-one IUCrData, 2018, 3, x180934 |
| 1549665 | CIF HKL Paper | C15 H13 N3 | P 1 21/n 1 | 5.9642; 17.7004; 11.3963 90; 100.695; 90 | 1182.2 | El Ghayati, Lhoussaine; Ramli, Youssef; Moussaif, Ahmed; Koubachi, Jamal; Taha, Mohamed Labd; Essassi, El Mokhtar; Mague, Joel T. 2-Methyl-4-(pyridin-2-yl)-3<i>H</i>-1,5-benzodiazepine IUCrData, 2018, 3, x180953 |
| 1549666 | CIF HKL Paper | C17 H12 O4 | P 1 c 1 | 5.7029; 4.0346; 28.9081 90; 90.751; 90 | 665.09 | Djandé, Abdoulaye; Abou, Akoun; Kini, Félix; Kambo, Konan René; Giorgi, Michel 2-Oxo-2<i>H</i>-chromen-7-yl 4-methylbenzoate IUCrData, 2018, 3, x180927 |
| 1549667 | CIF HKL Paper | C16 H16 Cd2 O8 | P 1 21/n 1 | 9.8377; 7.07; 24.268 90; 100.12; 90 | 1661.6 | LaDuca, Andrew R.; LaDuca, Robert L. Poly[(μ5-cis-cyclohex-4-ene-1,2-dicarboxylato)(μ3-cis-cyclohex-4-ene-1,2-dicarboxylato)dicadmium(II)] IUCrData, 2018, 3, x180924 |
| 1549668 | CIF | C64 H48 Br2 N2 Ni | R 3 c :H | 33.739; 33.739; 26.116 90; 90; 120 | 25746 | Fang, Jun; Sui, Xuelin; Li, Yougui; Chen, Changle Synthesis of polyolefin elastomers from unsymmetrical α-diimine nickel catalyzed olefin polymerization Polymer Chemistry, 2018, 9, 4143 |
| 1549669 | CIF | C67 H54 Br2 Cl2 N2 Ni | P 1 21/c 1 | 17.9769; 12.1378; 29.0552 90; 116.588; 90 | 5669.4 | Fang, Jun; Sui, Xuelin; Li, Yougui; Chen, Changle Synthesis of polyolefin elastomers from unsymmetrical α-diimine nickel catalyzed olefin polymerization Polymer Chemistry, 2018, 9, 4143 |
| 1549670 | CIF | C16 H16 N2 O4 | P 1 21/n 1 | 10.3695; 6.0922; 11.4055 90; 98.355; 90 | 712.87 | Dolai, Malay; Saha, Urmila; Das, Avijit Kumar; Suresh Kumar, Gopinatha Single sensors for multiple analytes employing fluorometric differentiation for Cr3+ and Al3+ in semi-aqueous medium with bio-activity and theoretical aspects Analytical Methods, 2018, 10, 4063 |
| 1549671 | CIF | C110 H82 Cu4 N2 O24 | P -1 | 15.9653; 17.691; 18.2258 61.811; 88.11; 64.125 | 3983.8 | Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing. Chemical science, 2018, 9, 6463-6469 |
| 1549672 | CIF | C152 H164 Cu4 O34 | P 1 21/n 1 | 18.5382; 25.36; 19.6509 90; 116.08; 90 | 8297.8 | Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing. Chemical science, 2018, 9, 6463-6469 |
| 1549673 | CIF | C108.67 H59 N O24 Rh4 | P -1 | 17.9146; 18.0902; 27.6891 77.345; 83.125; 61.947 | 7725.35 | Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing. Chemical science, 2018, 9, 6463-6469 |
| 1549674 | CIF HKL Paper | C25 H20 N2 O5 | P -1 | 11.5219; 14.2321; 14.7033 72.201; 73.469; 73.647 | 2150.18 | Mahfoud, Asmae; Al Houari, Ghali; El Yazidi, Mohamed; Saadi, Mohamed; El Ammari, Lahcen 2-Methyl-3'-(4-methylphenyl)-4'-(2-nitrophenyl)-4'<i>H</i>-spiro[chroman-3,5'-isoxazol]-4-one IUCrData, 2018, 3, x180962 |
| 1549675 | CIF HKL Paper | C17 H13 N5 O | P c a 21 | 23.5234; 10.5928; 23.4895 90; 90; 90 | 5853.1 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Mostafa, Mohamed S.; Khidre, Rizk E.; Hegazy, Amany S.; Kariuki, Benson M. 2-(5-Methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole IUCrData, 2018, 3, x180966 |
| 1549676 | CIF | C10 H24 N7 Ni O9 | C 1 2/c 1 | 12.8157; 8.8179; 15.3168 90; 106.818; 90 | 1656.88 | Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P. Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes. Chemical science, 2018, 9, 6564-6571 |
| 1549677 | CIF | C10 H26 Co0.9 N9 Ni0.1 O15 | P -1 | 7.371; 8.496; 9.08 89.163; 76.951; 81.894 | 548.3 | Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P. Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes. Chemical science, 2018, 9, 6564-6571 |
| 1549678 | CIF | C10 H26 N9 Ni O15 | P -1 | 7.4549; 9.0814; 16.935 88.505; 81.132; 76.008 | 1099.1 | Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P. Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes. Chemical science, 2018, 9, 6564-6571 |
| 1549679 | CIF | C12 H24 Cl N6 Ni O4 S2 | P -1 | 7.59; 8.72; 15.75 83.72; 81.37; 80.39 | 1012 | Bhowmick, Indrani; Roehl, Andrew J.; Neilson, James R.; Rappé, Anthony K; Shores, Matthew P. Slow magnetic relaxation in octahedral low-spin Ni(iii) complexes. Chemical science, 2018, 9, 6564-6571 |
| 1549680 | CIF | C288 H378 Cd24 Cl8 N16 O82 P6 S24 | R -3 :H | 22.4712; 22.4712; 62.0494 90; 90; 120 | 27134.4 | Shi, Cheng; Zhang, Min; Hang, Xinxin; Bi, Yanfeng; Huang, Liangliang; Zhou, Kun; Xu, Zhenhe; Zheng, Zhiping Assembly of thiacalix[4]arene-supported high-nuclearity Cd24 cluster with enhanced photocatalytic activity. Nanoscale, 2018, 10, 14448-14454 |
| 1549681 | CIF | C88 H108 Cd4 N2 O11 S8 | C 1 2/c 1 | 32.799; 19.0653; 31.1251 90; 114.228; 90 | 17748.9 | Shi, Cheng; Zhang, Min; Hang, Xinxin; Bi, Yanfeng; Huang, Liangliang; Zhou, Kun; Xu, Zhenhe; Zheng, Zhiping Assembly of thiacalix[4]arene-supported high-nuclearity Cd24 cluster with enhanced photocatalytic activity. Nanoscale, 2018, 10, 14448-14454 |
| 1549682 | CIF | C72 H72 Cl9 N7 O8 | P 21 21 21 | 13.2969; 22.3943; 25.1034 90; 90; 90 | 7475.2 | Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers. Chemical science, 2018, 9, 6860-6870 |
| 1549683 | CIF | C53 H53 Cl3 N8 O5 | P 1 21 1 | 9.7198; 18.6592; 14.0802 90; 90.161; 90 | 2553.6 | Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers. Chemical science, 2018, 9, 6860-6870 |
| 1549684 | CIF | C72 H87.5 N8 O11.75 | P 1 21 1 | 15.5782; 18.4753; 24.4315 90; 91.976; 90 | 7027.5 | Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers. Chemical science, 2018, 9, 6860-6870 |
| 1549685 | CIF | C70.79 H77.17 N7 O10.4 | P 21 21 21 | 22.0413; 23.2593; 25.4959 90; 90; 90 | 13070.9 | Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers. Chemical science, 2018, 9, 6860-6870 |
| 1549686 | CIF | C70.57 H83.27 N7 O9.57 | P 21 21 21 | 10.5967; 21.5835; 28.6986 90; 90; 90 | 6563.8 | Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers. Chemical science, 2018, 9, 6860-6870 |
| 1549687 | CIF | C26 H17 Br2 N3 | P c a 21 | 25.043; 10.3564; 8.256 90; 90; 90 | 2141.2 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
| 1549688 | CIF | C81 H67 Cl3 N10 O4 | P -1 | 14.7058; 15.449; 16.6352 90.453; 101.803; 113.116 | 3386 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
| 1549689 | CIF | C40 H33 N5 | P 1 21/n 1 | 10.1411; 25.4006; 12.1107 90; 94.978; 90 | 3107.8 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
| 1549690 | CIF | C47.5 H49 Cl N5 | C 1 2/c 1 | 21.584; 14.4183; 25.314 90; 94.247; 90 | 7856.2 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
| 1549691 | CIF | C52 H45 N5 O2 | P -1 | 11.495; 11.813; 16.576 90.499; 110.07; 105.303 | 2026.9 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
| 1549692 | CIF | C85 H52 Cl2 F24 N10 | P -1 | 12.9577; 14.3835; 20.7824 88.275; 83.194; 84.955 | 3830.41 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
| 1549693 | CIF | C43 H34 F6 N5 | P 1 21/c 1 | 20.794; 13.875; 25.322 90; 102.958; 90 | 7120 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
| 1549694 | CIF | C40 H37 N5 O2 | P 1 21/c 1 | 18.523; 9.319; 19.109 90; 95.74; 90 | 3282 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
| 1549695 | CIF | C44 H41 N5 | P -1 | 12.176; 12.713; 13.64 99.304; 104.311; 115.26 | 1762 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
| 1549696 | CIF | C33.5 H26 Br N4 O0.5 | C 1 2/c 1 | 13.751; 15.095; 26.536 90; 100.513; 90 | 5416 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
| 1549697 | CIF | C40 H27 F6 N5 | P -1 | 13.025; 14.1499; 18.8806 87.297; 73.304; 82.748 | 3306.2 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
| 1549698 | CIF | C79.98 H59 Cl3 N10 | R -3 | 50.519; 50.519; 13.4259 90; 90; 120 | 29675 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
| 1549699 | CIF | C46 H33 N5 | P -1 | 6.5341; 12.836; 20.895 106.223; 90.002; 91.44 | 1682.1 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
| 1549700 | CIF | C252 H300 N20 | P b c a | 30.1086; 31.9945; 46.8128 90; 90; 90 | 45095.2 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
| 1549701 | CIF | C34 H30 Cl N O | P 1 21/a 1 | 9.6998; 20.0864; 13.8561 90; 107.551; 90 | 2574 | Kuramoto, Yutaro; Nakagiri, Takanobu; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Ikeda, Hiroshi A leaning amine-ketone dyad with a nonconjugated linker: solvatofluorochromism and dual fluorescence associated with intramolecular charge transfer. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 1157-1168 |
| 1549702 | CIF HKL Paper | C17 H18 N2 O2 S2 | P 1 21/n 1 | 7.3167; 15.5894; 15.5627 90; 101.82; 90 | 1737.49 | Aziz, Hamid; Saeed, Aamer; Simpson, Jim 5,5-Diphenyl-2-thioxoimidazolidin-4-one dimethyl sulfoxide monosolvate IUCrData, 2018, 3, x181010 |
| 1549703 | CIF HKL Paper | C15 H18 N2 O | P 1 21/c 1 | 11.4283; 9.2294; 12.3632 90; 96.89; 90 | 1294.6 | Al Garadi, Wedad; Ramli, Youssef; El Ghayati, Lhoussaine; Moussaif, Ahmed; Essassi, El Mokhtar; Mague, Joel T. 4-Phenyl-5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepin-2(5<i>H</i>)-one IUCrData, 2018, 3, x181011 |
| 1549704 | CIF | C14 H26 N O4 Sb | P b c a | 8.0941; 43.971; 8.3622 90; 90; 90 | 2976.2 | Moaven, Shiva; Yu, Jingze; Vega, Maythe; Unruh, Daniel K.; Cozzolino, Anthony F. Self-assembled reversed bilayers directed by pnictogen bonding to form vesicles in solution. Chemical communications (Cambridge, England), 2018, 54, 8849-8852 |
| 1549705 | CIF | C52 H60 B F24 Fe P4 | I -4 | 13.2989; 13.2989; 17.4417 90; 90; 90 | 3084.75 | Doyle, Laurence R.; Scott, Daniel J.; Hill, Peter J.; Fraser, Duncan A. X.; Myers, William K.; White, Andrew J. P.; Green, Jennifer C.; Ashley, Andrew E. Reversible coordination of N<sub>2</sub> and H<sub>2</sub> to a homoleptic <i>S</i> = 1/2 Fe(i) diphosphine complex in solution and the solid state. Chemical science, 2018, 9, 7362-7369 |
| 1549706 | CIF | C19 H18 N2 O | P 1 21/c 1 | 11.268; 16.335; 9.5163 90; 114.91; 90 | 1588.6 | Lv, Honggui; Xiao, Li-Jun; Zhao, Dongbing; Zhou, Qi-Lin Nickel(0)-catalyzed linear-selective hydroarylation of unactivated alkenes and styrenes with aryl boronic acids. Chemical science, 2018, 9, 6839-6843 |
| 1549707 | CIF | C47 H52 Fe N5 O6 P | P -1 | 12.7848; 13.0223; 13.1304 93.792; 92.468; 90.347 | 2179.2 | Hong, Seungwoo; Yan, James J.; Karmalkar, Deepika G.; Sutherlin, Kyle D.; Kim, Jin; Lee, Yong-Min; Goo, Yire; Mascharak, Pradip K.; Hedman, Britt; Hodgson, Keith O.; Karlin, Kenneth D.; Solomon, Edward I.; Nam, Wonwoo A mononuclear nonheme {FeNO}<sup>6</sup> complex: synthesis and structural and spectroscopic characterization. Chemical science, 2018, 9, 6952-6960 |
| 1549708 | CIF | C51 H94 Fe N7 O6 | P 1 21/c 1 | 18.404; 18.521; 17.725 90; 102.745; 90 | 5893 | Hong, Seungwoo; Yan, James J.; Karmalkar, Deepika G.; Sutherlin, Kyle D.; Kim, Jin; Lee, Yong-Min; Goo, Yire; Mascharak, Pradip K.; Hedman, Britt; Hodgson, Keith O.; Karlin, Kenneth D.; Solomon, Edward I.; Nam, Wonwoo A mononuclear nonheme {FeNO}<sup>6</sup> complex: synthesis and structural and spectroscopic characterization. Chemical science, 2018, 9, 6952-6960 |
| 1549709 | CIF | C39 H33 F12 N7 P2 Ru | P -1 | 11.0216; 14.4762; 14.5765 83.804; 85.851; 69.748 | 2167.64 | Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window. Chemical science, 2018, 9, 6711-6720 |
| 1549710 | CIF | C39 H29 F12 N7 P2 Ru | P -1 | 11.9502; 13.3979; 13.5014 82.904; 83.437; 79.213 | 2097.98 | Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window. Chemical science, 2018, 9, 6711-6720 |
| 1549711 | CIF | C30 H25 F3 N4 O2 P0.5 Ru | C 1 2/m 1 | 18.547; 23.5958; 17.833 90; 119.975; 90 | 6760.4 | Al-Afyouni, Malik H; Rohrabaugh, Jr, Thomas N; Al-Afyouni, Kathlyn F; Turro, Claudia New Ru(ii) photocages operative with near-IR light: new platform for drug delivery in the PDT window. Chemical science, 2018, 9, 6711-6720 |
| 1549712 | CIF | C40 H58 Cl N8 O8 | P -1 | 9.2108; 9.4525; 29.308 87.928; 83.132; 71.201 | 2398.2 | Chen, Xiao-Xiao; Liu, Qi; Guo, Yan; Yan, Hui; Li, Jing; Lv, Dong-Mei; Zhang, Jun-Hong; Liu, Min; Yao, Chun-Hong; Wei, Xi-Lian Effects of additives on the viscoelastic responses of cationic gemini surfactant solutions. Soft matter, 2018, 14, 6696-6707 |
| 1549713 | CIF | C42 H46 Mn0.5 N6 O14 S2 | P -1 | 9.7187; 11.2496; 21.8708 88.401; 83.848; 64.446 | 2144.39 | Fidalgo-Marijuan, Arkaitz; Amayuelas, Eder; Barandika, Gotzone; Larrea, Edurne S.; Bazán, Begoña; Urtiaga, Miren Karmele; Iglesias, Marta; Arriortua, María Isabel Double role of metalloporphyrins in catalytic bioinspired supramolecular metal‒organic frameworks (SMOFs) IUCrJ, 2018, 5 |
| 1549714 | CIF HKL Paper | C22 H15 N O2 S | P b c a | 9.265; 10.3523; 36.0698 90; 90; 90 | 3459.6 | Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen 3',4'-Diphenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one IUCrData, 2018, 3, x181019 |
| 1549715 | CIF | C86 H157 K2 Mn8 N O42 | P 1 21/n 1 | 18.998; 15.678; 20.236 90; 100.84; 90 | 5920 | Mousazade, Younes; Mohammadi, Mohammad Reza; Chernev, Petko; Bikas, Rahman; Bagheri, Robabeh; Song, Zhenlun; Lis, Tadeusz; Dau, Holger; Najafpour, Mohammad Mahdi Water oxidation by a manganese‒potassium cluster: Mn oxide as a kinetically dominant “true” catalyst for water oxidation Catalysis Science & Technology, 2018, 8, 4390 |
| 1549716 | CIF | C13 H18 N2 S | P 21 21 2 | 20.7206; 9.8606; 6.3486 90; 90; 90 | 1297.13 | Formica, Michele; Sorin, Geoffroy; Farley, Alistair J. M.; Díaz, Jesús; Paton, Robert S.; Dixon, Darren J. Bifunctional iminophosphorane catalysed enantioselective sulfa-Michael addition of alkyl thiols to alkenyl benzimidazoles. Chemical science, 2018, 9, 6969-6974 |
| 1549717 | CIF | C39.5 H48.9 N6.5 O16.2 Zn2 | C 1 2/c 1 | 25.386; 25.15; 17.6282 90; 114.178; 90 | 10268 | Zhang, Yiwen; Su, Kongzhao; Hao, Miao; Liu, Lin; Han, Zheng-Bo; Yuan, Daqiang Two metal‒organic frameworks based on pyridyl‒tricarboxylate ligands as size-selective catalysts for solvent-free cyanosilylation reaction CrystEngComm, 2018, 20, 6070 |
| 1549718 | CIF | C42.15 H54.35 Cd2 N6.05 O16.05 | C 1 2/c 1 | 26.4534; 24.3372; 17.6488 90; 109.622; 90 | 10702.5 | Zhang, Yiwen; Su, Kongzhao; Hao, Miao; Liu, Lin; Han, Zheng-Bo; Yuan, Daqiang Two metal‒organic frameworks based on pyridyl‒tricarboxylate ligands as size-selective catalysts for solvent-free cyanosilylation reaction CrystEngComm, 2018, 20, 6070 |
| 1549719 | CIF | C24 H19 N O9 | P 1 21/c 1 | 9.662; 15.701; 14.746 90; 94.165; 90 | 2231.1 | Mal, Kajal; Naskar, Barnali; Mondal, Animesh; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Keya; Mukhopadhyay, Chhanda Dihydroindeno[1,2-b]pyrroles: new Al<sup>3+</sup> selective off-on chemosensors for bio-imaging in living HepG2 cells. Organic & biomolecular chemistry, 2018, 16, 5920-5931 |
| 1549720 | CIF HKL Paper | C14 H18 N2 O3 | P n a 21 | 12.2836; 14.5343; 7.8596 90; 90; 90 | 1403.2 | Rasheeda, Kedila; Samshuddin, Seranthimata; Swathi, Phadke N.; Alva, Vijaya D. P.; Mague, Joel T.; Ramli, Youssef 2-(4-Hydroxyphenyl)-4,6-dimethyl-2,3-dihydropyrimidin-1-ium acetate IUCrData, 2018, 3, x181046 |
| 1549721 | CIF HKL Paper | C19 H16 O5 | P 21 21 21 | 4.6852; 17.5786; 18.8573 90; 90; 90 | 1553.07 | Goyal, Navneet; Do, Camilla; Donahue, James P.; Mague, Joel T.; Foroozesh, Maryam Ethyl 2-[2-(4-oxo-4<i>H</i>-chromen-2-yl)phenoxy]acetate IUCrData, 2018, 3, x180993 |
| 1549722 | CIF | Mg2 O4 Si | F d -3 m | 8.0649; 8.0649; 8.0649 90; 90; 90 | 524.562 | Sasaki, S.; Prewitt, C.T.; Sato, Y.; Ito, E. Single-crystal X Ray study of gamma Mg2SiO4 : partially disordered model (final result) Journal of Geophysical Research: Solid Earth, 1982, 87, 7829-7832 |
| 1549723 | CIF | C24 H19 Cl4 Rh | P 1 21/c 1 | 14.3151; 6.8774; 23.4347 90; 106.959; 90 | 2206.84 | Yang, Junfeng; Shen, Yixiao; Lim, Yang Jie; Yoshikai, Naohiko Divergent ring-opening coupling between cyclopropanols and alkynes under cobalt catalysis. Chemical science, 2018, 9, 6928-6934 |
| 1549724 | CIF | C15 H9 F7.05 | P b c m | 12.069; 30.5791; 36.076 90; 90; 90 | 13314.2 | Font, Marc; Spencer, Andrew R. A.; Larrosa, Igor <i>meta</i>-C-H arylation of fluoroarenes <i>via</i> traceless directing group relay strategy. Chemical science, 2018, 9, 7133-7137 |
| 1549725 | CIF | C15 H12 F2 O2 | P 1 21/c 1 | 13.442; 13.4424; 7.0546 90; 93.892; 90 | 1271.8 | Font, Marc; Spencer, Andrew R. A.; Larrosa, Igor <i>meta</i>-C-H arylation of fluoroarenes <i>via</i> traceless directing group relay strategy. Chemical science, 2018, 9, 7133-7137 |
| 1549726 | CIF | C29 H39 Cl5 Cu N2 O6 S2 | P 1 21/c 1 | 8.4746; 9.5148; 45.506 90; 91.765; 90 | 3667.6 | Olavarría-Contreras, Ignacio José; Etcheverry-Berríos, Alvaro; Qian, Wenjie; Gutiérrez-Cerón, Cristian; Campos-Olguín, Aldo; Sañudo, E Carolina; Dulić, Diana; Ruiz, Eliseo; Aliaga-Alcalde, Núria; Soler, Monica; van der Zant, Herre S. J. Electric-field induced bistability in single-molecule conductance measurements for boron coordinated curcuminoid compounds. Chemical science, 2018, 9, 6988-6996 |
| 1549727 | CIF | C21 H20 O2 S2 | P 1 21/n 1 | 13.7982; 5.5253; 24.9052 90; 103.39; 90 | 1847.14 | Olavarría-Contreras, Ignacio José; Etcheverry-Berríos, Alvaro; Qian, Wenjie; Gutiérrez-Cerón, Cristian; Campos-Olguín, Aldo; Sañudo, E Carolina; Dulić, Diana; Ruiz, Eliseo; Aliaga-Alcalde, Núria; Soler, Monica; van der Zant, Herre S. J. Electric-field induced bistability in single-molecule conductance measurements for boron coordinated curcuminoid compounds. Chemical science, 2018, 9, 6988-6996 |
| 1549728 | CIF | C17 H13 N2 O3 | P 1 21/c 1 | 13.2523; 8.0408; 12.7339 90; 91.04; 90 | 1356.69 | Qin, Qi-Pin; Wang, Shulong; Tan, Mingxiong; Wang, Zhen-Feng; Huang, Xiao-Ling; Wei, Qingmin; Shi, Bei-Bei; Zou, Bi-Qun; Liang, Hong Synthesis and antitumor mechanisms of two novel platinum(II) complexes with 3-(2′-benzimidazolyl)-7-methoxycoumarin Metallomics, 2018 |
| 1549729 | CIF | C21 H23 Cl3 N2 O5 Pt2 S2 | P -1 | 9.4211; 12.9359; 13.8521 66.332; 88.609; 71.401 | 1454.91 | Qin, Qi-Pin; Wang, Shulong; Tan, Mingxiong; Wang, Zhen-Feng; Huang, Xiao-Ling; Wei, Qingmin; Shi, Bei-Bei; Zou, Bi-Qun; Liang, Hong Synthesis and antitumor mechanisms of two novel platinum(II) complexes with 3-(2′-benzimidazolyl)-7-methoxycoumarin Metallomics, 2018 |
| 1549730 | CIF | C98 H60 Cu9 N36 O6 S | C 1 2/c 1 | 32.7; 10.89; 30.813 90; 114.97; 90 | 9947 | Yu, Fei; Kurmoo, Mohamedally; Zhuang, Gui-Lin; Zuo, Jing-Lin Hierarchical tandem assembly of planar [3×3] building units into {3×[3×3]} oligomers: mixed-valency, electrical conductivity and magnetism. Chemical science, 2018, 9, 7498-7504 |
| 1549731 | CIF | C294 H180 Cu27 N114 O4 S | P 1 21/n 1 | 14.7327; 47.3434; 51.2702 90; 97.581; 90 | 35448.2 | Yu, Fei; Kurmoo, Mohamedally; Zhuang, Gui-Lin; Zuo, Jing-Lin Hierarchical tandem assembly of planar [3×3] building units into {3×[3×3]} oligomers: mixed-valency, electrical conductivity and magnetism. Chemical science, 2018, 9, 7498-7504 |
| 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 |
| 1549739 | CIF | C8 H4.19 Al I0.82 O5 | I m m a | 16.501; 6.6194; 13.21 90; 90; 90 | 1442.9 | Tahmouresilerd, Babak; Larson, Patrick J.; Unruh, Daniel K.; Cozzolino, Anthony F. Make room for iodine: systematic pore tuning of multivariate metal‒organic frameworks for the catalytic oxidation of hydroquinones using hypervalent iodine Catalysis Science & Technology, 2018, 8, 4349 |
| 1549740 | CIF | C8 H4.3 Al I0.7 O5.25 | I m m a | 17.107; 6.622; 12.229 90; 90; 90 | 1385.3 | Tahmouresilerd, Babak; Larson, Patrick J.; Unruh, Daniel K.; Cozzolino, Anthony F. Make room for iodine: systematic pore tuning of multivariate metal‒organic frameworks for the catalytic oxidation of hydroquinones using hypervalent iodine Catalysis Science & Technology, 2018, 8, 4349 |
| 1549741 | CIF | C12 H14 Er I N2 | P 21 21 21 | 10.7394; 10.7693; 12.2067 90; 90; 90 | 1411.8 | Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D. Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes. Chemical science, 2018, 9, 7204-7209 |
| 1549742 | CIF | C16 H24 Er I O2 | P 1 21/n 1 | 8.4793; 9.3962; 22.2154 90; 97.496; 90 | 1754.8 | Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D. Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes. Chemical science, 2018, 9, 7204-7209 |
| 1549743 | CIF | C18 H18 Er I N2 | P 1 21/n 1 | 10.818; 8.8916; 18.3519 90; 96.53; 90 | 1753.8 | Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D. Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes. Chemical science, 2018, 9, 7204-7209 |
| 1549744 | CIF | C27 H38 B Er N6 O | P 1 21/c 1 | 8.2903; 31.84; 10.584 90; 102.02; 90 | 2732.5 | Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D. Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes. Chemical science, 2018, 9, 7204-7209 |
| 1549745 | CIF | C16 H21 F3 N2 O2 | P 1 21/c 1 | 13.0203; 10.3915; 12.893 90; 103.151; 90 | 1698.68 | Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J. Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams. Chemical science, 2018, 9, 7628-7633 |
| 1549746 | CIF | C36.25 H64.5 Cl4.5 F4 N2 O8 Pd3 | P -1 | 11.8915; 14.4371; 15.9414 84.9399; 77.9747; 68.7283 | 2494.14 | Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J. Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams. Chemical science, 2018, 9, 7628-7633 |
| 1549747 | CIF | C38 H35 Cl3 F20 N P Pd | P -1 | 13.2478; 19.4015; 20.3563 115.227; 91.1995; 105.389 | 4509.24 | Png, Zhuang Mao; Cabrera-Pardo, Jaime R; Peiró Cadahía, Jorge; Gaunt, Matthew J. Diastereoselective C-H carbonylative annulation of aliphatic amines: a rapid route to functionalized γ-lactams. Chemical science, 2018, 9, 7628-7633 |
| 1549748 | CIF | C48 H35 N3 O2 | P 1 21/c 1 | 7.9859; 19.6476; 23.8539 90; 106.74; 90 | 3584.15 | Xiong, Jingwen; Li, Zongzhi; Tan, Jihua; Ji, Shaomin; Sun, Jianwei; Li, Xianwei; Huo, Yanping Two new quinoline-based regenerable fluorescent probes with AIE characteristics for selective recognition of Cu<sup>2+</sup> in aqueous solution and test strips. The Analyst, 2018, 143, 4870-4886 |
| 1549749 | CIF | C31 H53 Rh2 S2 | P 1 21/n 1 | 10.855; 28.6007; 10.8441 90; 119.239; 90 | 2937.7 | Serrano-Maldonado, A.; Rozenel, S. S.; Jimenez-Santiago, J. L.; Guerrero-Ríos, I.; Martin, E. Rh nanoparticles from thiolate dimers: selective and reusable hydrogenation catalysts in ionic liquids Catalysis Science & Technology, 2018, 8, 4373 |
| 1549750 | CIF | C40 H74 Rh2 S2 | P 1 21/m 1 | 8.734; 26.987; 8.39 90; 90; 90 | 1977.6 | Serrano-Maldonado, A.; Rozenel, S. S.; Jimenez-Santiago, J. L.; Guerrero-Ríos, I.; Martin, E. Rh nanoparticles from thiolate dimers: selective and reusable hydrogenation catalysts in ionic liquids Catalysis Science & Technology, 2018, 8, 4373 |
| 1549751 | CIF | C28 Al2 Cl6 F56 Li2 N2 O6 | C 1 2/c 1 | 30.4136; 11.7318; 20.6258 90; 129.575; 90 | 5672.6 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549752 | CIF | C24 Al2 F55 N O7 | P 1 21/n 1 | 10.6841; 18.2966; 22.3798 90; 94.822; 90 | 4359.38 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549753 | CIF | C36 H8 Ag Al2 F59 O6 | C 1 c 1 | 13.1028; 29.39; 14.129 90; 99.674; 90 | 5363.6 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549754 | CIF | C42 H12 Ag Al2 F61 O6 | P -1 | 15.4856; 17.6866; 22.5679 76.093; 84.023; 81.617 | 5920.4 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549755 | CIF | C15 H6 Al F27 O6 | P 1 21/c 1 | 10.8066; 13.958; 17.2977 90; 90.19; 90 | 2609.15 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549756 | CIF | C28 H8 Ag Al F40 O4 | P 1 21/n 1 | 14.1565; 18.4564; 14.651 90; 91.2; 90 | 3827.1 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549757 | CIF | C30 H12 Ag Al F34 O3 | P 1 21/n 1 | 10.2659; 17.4605; 20.9905 90; 99.098; 90 | 3715.17 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549758 | CIF | C50 H58 Ag Al2 Br2 Cl4 F55 O6 Si2 | P -1 | 15.476; 16.615; 18.2967 89.488; 67.742; 70.537 | 4068.1 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549759 | CIF | C21 H18 Al F28 Li O12 | P 1 21/c 1 | 35.9221; 10.7468; 19.3985 90; 102.381; 90 | 7314.6 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549760 | CIF | C20 H10 Ag B F22 O2 | P 1 21/c 1 | 34.3712; 10.6465; 13.7845 90; 100.452; 90 | 4960.5 | Martens, Arthur; Weis, Philippe; Krummer, Michael Christian; Kreuzer, Marvin; Meierhöfer, Andreas; Meier, Stefan C.; Bohnenberger, Jan; Scherer, Harald; Riddlestone, Ian; Krossing, Ingo Facile and systematic access to the least-coordinating WCA [(R<sup>F</sup>O)<sub>3</sub>Al-F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> and its more Lewis-basic brother [F-Al(OR<sup>F</sup>)<sub>3</sub>]<sup>-</sup> (R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>). Chemical science, 2018, 9, 7058-7068 |
| 1549761 | CIF | C48.25 H44.5 Cl0.5 N2 O9 | P -1 | 14.0049; 23.6564; 26.0431 71.035; 82.975; 82.271 | 8057.2 | Homberg, Alexandre; Brun, Elodie; Zinna, Francesco; Pascal, Simon; Górecki, Marcin; Monnier, Luc; Besnard, Céline; Pescitelli, Gennaro; Di Bari, Lorenzo; Lacour, Jérôme Combined reversible switching of ECD and quenching of CPL with chiral fluorescent macrocycles. Chemical science, 2018, 9, 7043-7052 |
| 1549762 | CIF | C48 H42 N2 O6 | P -1 | 11.8363; 12.6884; 14.8869 108.968; 104.837; 104.872 | 1897.35 | Homberg, Alexandre; Brun, Elodie; Zinna, Francesco; Pascal, Simon; Górecki, Marcin; Monnier, Luc; Besnard, Céline; Pescitelli, Gennaro; Di Bari, Lorenzo; Lacour, Jérôme Combined reversible switching of ECD and quenching of CPL with chiral fluorescent macrocycles. Chemical science, 2018, 9, 7043-7052 |
| 1549763 | CIF | Ca4.83 F Mn0.15 O12 P3 Sr0.02 | P 63/m | 9.384; 9.384; 6.8842 90; 90; 120 | 525 | Arima, H.; Kida, Y.; Mikouchi, T.; Sugiyama, K. The location of Mn (MnO: 2.0 wt%) in fluorapatit from Lavra da Golconda, near Governador Valadares, Minas Gerais, Brazil Journal of Mineralogical and Petrological Sciences, 2018, 113, 119-125 |
| 1549764 | CIF | Al2 Ca0.96 F4.28 H3.72 O3.72 Sr0.04 | C 1 2/c 1 | 6.7103; 11.1619; 7.3741 90; 94.919; 90 | 550.28 | Hongu, H.; Yoshiasa, A.; Teshima, A.; Isobe, H.; Sugiyama, K.; Arima, H.; Nakatsuka, A.; Momma, K.; Miyawaki, R. Crystal structure refinement and chemical formula of prosopite, CaAl2F4[(OH)4-xFx] x = 0.0-1.0 Journal of Mineralogical and Petrological Sciences, 2018, 113, 152-158 |
| 1549765 | CIF | C10 H10 Br2 Co N2 | P 1 21/c 1 | 8.6842; 18.1757; 8.5209 90; 100.878; 90 | 1320.8 | Majcher, Anna M.; Dąbczyński, Paweł; Marzec, Mateusz M.; Ceglarska, Magdalena; Rysz, Jakub; Bernasik, Andrzej; Ohkoshi, Shin-Ichi; Stefańczyk, Olaf Between single ion magnets and macromolecules: a polymer/transition metal-based semi-solid solution. Chemical science, 2018, 9, 7277-7286 |
| 1549766 | CIF | C14 H14 Br2 Co N2 | C 1 2/c 1 | 9.1275; 12.1835; 14.8264 90; 95.764; 90 | 1640.4 | Majcher, Anna M.; Dąbczyński, Paweł; Marzec, Mateusz M.; Ceglarska, Magdalena; Rysz, Jakub; Bernasik, Andrzej; Ohkoshi, Shin-Ichi; Stefańczyk, Olaf Between single ion magnets and macromolecules: a polymer/transition metal-based semi-solid solution. Chemical science, 2018, 9, 7277-7286 |
| 1549767 | CIF | C20 H32 P Si2 Tb | P n m a | 12.8319; 18.8787; 9.3269 90; 90; 90 | 2259.4 | Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song A soft phosphorus atom to "harden" an erbium(iii) single-ion magnet. Chemical science, 2018, 9, 7540-7545 |
| 1549768 | CIF | C20 H32 Er P Si2 | P 1 21/c 1 | 15.1266; 10.815; 14.256 90; 95.164; 90 | 2322.73 | Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song A soft phosphorus atom to "harden" an erbium(iii) single-ion magnet. Chemical science, 2018, 9, 7540-7545 |
| 1549769 | CIF | C20 H32 Dy P Si2 | P n m a | 12.8248; 18.9114; 9.3047 90; 90; 90 | 2256.7 | Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song A soft phosphorus atom to "harden" an erbium(iii) single-ion magnet. Chemical science, 2018, 9, 7540-7545 |
| 1549770 | CIF | C20 H32 P Si2 Tm | P 1 21/c 1 | 15.0719; 10.8053; 14.3183 90; 95.125; 90 | 2322.5 | Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song A soft phosphorus atom to "harden" an erbium(iii) single-ion magnet. Chemical science, 2018, 9, 7540-7545 |
| 1549771 | CIF | C20 H32 P Si2 Y | P 1 21/c 1 | 15.2388; 10.8568; 14.217 90; 95.18; 90 | 2342.5 | Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song A soft phosphorus atom to "harden" an erbium(iii) single-ion magnet. Chemical science, 2018, 9, 7540-7545 |
| 1549772 | CIF | H2 O5 Si Zn2 | I m m 2 | 8.366; 10.714; 5.113 90; 90; 90 | 458.3 | Takeuchi, Y.; Sasaki, S.; Joswig, W.; Fuess, H. X-ray and neutron diffraction study of hemimorphite : Neutron result at 70 K Proceedings of the Japan Academy, Series B, 1978, 54, 577-582 |
| 1549773 | CIF | H2 O5 Si Zn2 | I m m 2 | 8.366; 10.714; 5.113 90; 90; 90 | 458.3 | Takeuchi, Y.; Sasaki, S.; Joswig, W.; Fuess, H. X-ray and neutron diffraction study of hemimorphite : Neutron result at room temperature Proceedings of the Japan Academy, Series B, 1978, 54, 577-582 |
| 1549774 | CIF | H2 O5 Si Zn2 | I m m 2 | 8.366; 10.714; 5.113 90; 90; 90 | 458.3 | Takeuchi, Y.; Sasaki, S.; Joswig, W.; Fuess, H. X-ray and neutron diffraction study of hemimorphite : XRD result at room temperature Proceedings of the Japan Academy, Series B, 1978, 54, 577-582 |
| 1549775 | CIF | C25 H15 N S2 | P b c a | 18.7793; 7.4521; 50.3987 90; 90; 90 | 7053.06 | Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds. Chemical science, 2018, 9, 7556-7561 |
| 1549776 | CIF | C29 H19 N | P 1 21/n 1 | 10.6434; 9.1028; 20.109 90; 102.565; 90 | 1901.6 | Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds. Chemical science, 2018, 9, 7556-7561 |
| 1549777 | CIF | C41 H27 N O S4 | P 1 21/c 1 | 16.1846; 27.2713; 7.6092 90; 97.89; 90 | 3326.7 | Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds. Chemical science, 2018, 9, 7556-7561 |
| 1549778 | CIF | C220 H194.5 Au24.01 Cl3 P10 Pd0.99 S5 | P -1 | 20.474; 31.755; 36.216 75.393; 74.91; 84.029 | 21981 | Nair, Lakshmi V.; Hossain, Sakiat; Takagi, Shunjiro; Imai, Yukari; Hu, Guoxiang; Wakayama, Shota; Kumar, Bharat; Kurashige, Wataru; Jiang, De-En; Negishi, Yuichi Hetero-biicosahedral [Au<sub>24</sub>Pd(PPh<sub>3</sub>)<sub>10</sub>(SC<sub>2</sub>H<sub>4</sub>Ph)<sub>5</sub>Cl<sub>2</sub>]<sup>+</sup> nanocluster: selective synthesis and optical and electrochemical properties. Nanoscale, 2018, 10, 18969-18979 |
| 1549779 | CIF HKL Paper | C25 H24 N4 O3 S | P 1 2/c 1 | 8.3287; 13.8956; 20.3124 90; 90.635; 90 | 2350.7 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M. Ethyl 2-anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carbonyl]thiophene-3-carboxylate IUCrData, 2018, 3, x181106 |
| 1549780 | CIF HKL Paper | H4 N O3 V | P b c m | 4.9045; 11.7945; 5.8231 90; 90; 90 | 336.84 | Pérez-Benítez, Aarón; Bernès, Sylvain Redetermination of ammonium metavanadate IUCrData, 2018, 3, x181080 |
| 1549781 | CIF HKL Paper | C19 H14 O2 | P b c n | 19.7403; 9.3294; 15.0595 90; 90; 90 | 2773.4 | Devassia, Tomson; Mathew, Eason M.; Sithambaresan, M.; Unnikrishnan, P. A.; Kurup, M. R. Prathapachandra 10-Methyl-9,11-annulated dibenzobarrelene IUCrData, 2018, 3, x181102 |
| 1549782 | CIF | C23 H19 B N2 | P -1 | 9.5765; 10.1909; 10.8774 115.915; 106.476; 90.377 | 905.1 | Yang, Kai; Zhang, Guan; Song, Qiuling Four-coordinate triarylborane synthesis <i>via</i> cascade B-Cl/C-B cross-metathesis and C-H bond borylation. Chemical science, 2018, 9, 7666-7672 |
| 1549783 | CIF | C17 H14 B F N2 | P 1 21/n 1 | 9.1839; 11.282; 14.148 90; 101.51; 90 | 1436.4 | Yang, Kai; Zhang, Guan; Song, Qiuling Four-coordinate triarylborane synthesis <i>via</i> cascade B-Cl/C-B cross-metathesis and C-H bond borylation. Chemical science, 2018, 9, 7666-7672 |
| 1549784 | CIF | C59.5 H22 Cl7 F20 N5 S3 | P -1 | 13.89; 14.796; 16.218 96.6694; 96.2744; 112.822 | 3007.7 | Higashino, Tomohiro; Kumagai, Atsushi; Sakaki, Shigeyoshi; Imahori, Hiroshi Reversible π-system switching of thiophene-fused thiahexaphyrins by solvent and oxidation/reduction. Chemical science, 2018, 9, 7528-7539 |
| 1549785 | CIF | C65 H20.5 Cl1.5 F20 N5 S3 | P -1 | 13.765; 17.271; 24.19 94.738; 102.606; 93.061 | 5577.9 | Higashino, Tomohiro; Kumagai, Atsushi; Sakaki, Shigeyoshi; Imahori, Hiroshi Reversible π-system switching of thiophene-fused thiahexaphyrins by solvent and oxidation/reduction. Chemical science, 2018, 9, 7528-7539 |
| 1549786 | CIF | C32 H33 N5 O5 U | P -1 | 10.3182; 12.47104; 12.8143 82.2874; 68.197; 79.3609 | 1500.76 | Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella The effect of iron binding on uranyl(v) stability. Chemical science, 2018, 9, 7520-7527 |
| 1549787 | CIF | C64 H64 Fe N10 O10 U2 | C 1 2/c 1 | 46.746; 13.2744; 24.296 90; 145.84; 90 | 8465 | Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella The effect of iron binding on uranyl(v) stability. Chemical science, 2018, 9, 7520-7527 |
| 1549788 | CIF | C69 H69 I2 N11 O6 U2 | P 1 21/n 1 | 14.3842; 14.1543; 16.8027 90; 93.045; 90 | 3416.2 | Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella The effect of iron binding on uranyl(v) stability. Chemical science, 2018, 9, 7520-7527 |
| 1549789 | CIF | C63 H99 K2 N8 O17 U | P -1 | 12.542; 13.779; 23.86 81.55; 78.59; 86.58 | 3996 | Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella The effect of iron binding on uranyl(v) stability. Chemical science, 2018, 9, 7520-7527 |
| 1549790 | CIF | C99 H99 Fe3 I2 N17 O10 U2 | P -1 | 13.7743; 21.1783; 24.452 99.7615; 95.7326; 98.8026 | 6888.7 | Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella The effect of iron binding on uranyl(v) stability. Chemical science, 2018, 9, 7520-7527 |
| 1549791 | CIF | C50 H54 Fe N8 O5 U | P 1 21/c 1 | 19.5691; 13.9341; 19.6431 90; 118.26; 90 | 4717.8 | Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella The effect of iron binding on uranyl(v) stability. Chemical science, 2018, 9, 7520-7527 |
| 1549792 | CIF | C69 H69 Fe I N11 O8 U2 | P 1 21/n 1 | 15.964; 23.884; 20.0642 90; 105.849; 90 | 7359.3 | Faizova, Radmila; White, Sarah; Scopelliti, Rosario; Mazzanti, Marinella The effect of iron binding on uranyl(v) stability. Chemical science, 2018, 9, 7520-7527 |
| 1549793 | CIF HKL Paper | C10 H7 Cl N3 Na O2 | P 1 21/c 1 | 11.6462; 6.3754; 14.7003 90; 92.711; 90 | 1090.26 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M. Sodium 1-(4-chlorophenyl)-5-methyl-1<i>H</i>-1,2,3-triazole-4-carboxylate IUCrData, 2018, 3, x181127 |
| 1549794 | CIF HKL Paper | C37 H31 B Cl3 F4 N P2 | P -1 | 9.6306; 10.813; 17.0381 91.826; 95.619; 90.734 | 1764.6 | Manandhar, Rachana; Rath, Nigam P.; Jones, Myron W. Bis(triphenylphosphine)iminium tetrafluoroborate chloroform monosolvate IUCrData, 2018, 3, x181108 |
| 1549795 | CIF HKL Paper | C15 H22 I N | P b c a | 15.631; 11.614; 16.976 90; 90; 90 | 3082 | da Costa Duarte, Rodrigo; Kommers Reimann, Louise; Severo Rodembusch, Fabiano; Gustavo Teixeira Alves Duarte, Luís 1-Butyl-2,3,3-trimethylindol-1-ium iodide IUCrData, 2018, 3, x181130 |
| 1549796 | CIF | C58 H84 Mn2 N4 | P 1 21/n 1 | 14.1097; 14.319; 14.2262 90; 111.886; 90 | 2667.1 | Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J. A β-diketiminate manganese catalyst for alkene hydrosilylation: substrate scope, silicone preparation, and mechanistic insight. Chemical science, 2018, 9, 7673-7680 |
| 1549797 | CIF | C41 H58 Mn N2 | P 1 21/c 1 | 12.443; 13.455; 22.132 90; 102.382; 90 | 3619 | Mukhopadhyay, Tufan K.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J. A β-diketiminate manganese catalyst for alkene hydrosilylation: substrate scope, silicone preparation, and mechanistic insight. Chemical science, 2018, 9, 7673-7680 |
| 1549798 | CIF | C40 H33 F6 Fe N5 O6 S2 | C 1 2/c 1 | 42.348; 11.696; 18.645 90; 92.882; 90 | 9223 | Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo. Chemical science, 2018, 9, 7843-7858 |
| 1549799 | CIF | C64 H53 Cl6 Fe3 N11 | P b c a | 18.9606; 18.7387; 34.1557 90; 90; 90 | 12135.4 | Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo. Chemical science, 2018, 9, 7843-7858 |
| 1549800 | CIF | C33 H27 Br Cl7 Fe N5 O4 | P -1 | 9.9553; 13.1814; 16.2767 92.662; 96.422; 105.743 | 2036.29 | Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo. Chemical science, 2018, 9, 7843-7858 |
| 1549801 | CIF | C33 H27 Cl8 Fe N5 O4 | P -1 | 9.68503; 9.74597; 20.3011 92.2266; 101.563; 98.3455 | 1852.88 | Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo. Chemical science, 2018, 9, 7843-7858 |
| 1549802 | CIF | C64 H53 Br6 Fe3 N11 | P b c a | 19.0269; 18.8487; 35.2474 90; 90; 90 | 12640.9 | Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo. Chemical science, 2018, 9, 7843-7858 |
| 1549803 | CIF HKL Paper | C16 H12 O3 | P 1 21/n 1 | 13.2958; 5.1981; 18.8162 90; 109.212; 90 | 1228.02 | Padgett, Clifford W.; Lynch, Will E.; Sheriff, Kirkland; Dean, Raven; Zingales, Sarah 3-Hydroxy-2-(4-methylphenyl)-4<i>H</i>-chromen-4-one IUCrData, 2018, 3, x181138 |
| 1549804 | CIF HKL Paper | C18 H18 Cl N3 O | P 65 | 9.9013; 9.9013; 28.981 90; 90; 120 | 2460.5 | Lee, Ji Hye; Koh, Dongsoo 2-Amino-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-1-ium chloride IUCrData, 2018, 3, x181152 |
| 1549805 | CIF | C32 H40 F2 Sn | P 1 21/c 1 | 17.1715; 17.8894; 9.4518 90; 101.309; 90 | 2847.1 | Ming, Jialin; Shi, Qi; Hayashi, Tamio Addition of arylstannanes to alkynes giving <i>ortho</i>-alkenylarylstannanes catalysed cooperatively by a rhodium complex and zinc chloride. Chemical science, 2018, 9, 7700-7704 |
| 1549806 | CIF | C90 H68 B2 F30 Fe2 O2 | P 1 21/c 1 | 14.0463; 17.6303; 16.8395 90; 100.648; 90 | 4098.34 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549807 | CIF | C51 H22 B2 F30 N O3 | P -1 | 13.8373; 14.8923; 15.4147 63.462; 80.689; 88.721 | 2799.88 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549808 | CIF | C69 H25 B2 Cl4 F30 O2 | P -1 | 13.3556; 14.9486; 17.5414 95.477; 111.222; 102.632 | 3126.3 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549809 | CIF | C72 H29 B2 Cl6 F30 O2 | P -1 | 12.3256; 16.7558; 17.1303 90.82; 97.535; 103.218 | 3410.8 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549810 | CIF | C71 H40 B2 Cl2 F30 Fe O2 | P 1 21 1 | 12.6071; 13.6253; 20.3659 90; 100.362; 90 | 3441.31 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549811 | CIF | C72 H42 B2 Cl4 F30 Fe O2 | P -1 | 11.863; 13.004; 13.207 106.631; 116.366; 92.518 | 1714 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549812 | CIF | C68 H36 B2 F30 Fe O2 | P -1 | 13.3457; 14.575; 17.8933 91.771; 97.044; 102.641 | 3364.49 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549813 | CIF | C90 H68 B2 F30 Fe2 O2 | P 1 21/n 1 | 26.8002; 12.9058; 27.8292 90; 116.473; 90 | 8616.2 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549814 | CIF | C51 H22 B2 F30 N O3 | P -1 | 11.8064; 14.9813; 15.3306 91.992; 103.172; 108.496 | 2487 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549815 | CIF | C61 H19 B2 F30 O2 | P -1 | 13.791; 14.0959; 18.1102 109.569; 109.658; 90.652 | 3093.2 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549816 | CIF | C62 H34 B2 F30 Fe O2 | P -1 | 9.5809; 10.9166; 14.2783 74.722; 79.532; 85.172 | 1415.59 | Tao, Xin; Daniliuc, Constantin G.; Knitsch, Robert; Hansen, Michael Ryan; Eckert, Hellmut; Lübbesmeyer, Maximilian; Studer, Armido; Kehr, Gerald; Erker, Gerhard The special role of B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub> in the single electron reduction of quinones by radicals. Chemical science, 2018, 9, 8011-8018 |
| 1549817 | CIF | C10 H8 N4 O | P 1 21/c 1 | 3.7576; 14.428; 9.4611 90; 100.599; 90 | 504.18 | Chen, Ming; Hu, Xianglong; Liu, Junkai; Li, Baixue; Leung, Nelson L. C.; Viglianti, Lucia; Cheung, Tsz Shing; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong Rational design of red AIEgens with a new core structure from non-emissive heteroaromatics. Chemical science, 2018, 9, 7829-7834 |
| 1549818 | CIF | C34 H22 N4 | P -1 | 5.772; 9.9613; 10.8529 87.644; 77.477; 89.901 | 608.63 | Chen, Ming; Hu, Xianglong; Liu, Junkai; Li, Baixue; Leung, Nelson L. C.; Viglianti, Lucia; Cheung, Tsz Shing; Sung, Herman H. Y.; Kwok, Ryan T. K.; Williams, Ian D.; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong Rational design of red AIEgens with a new core structure from non-emissive heteroaromatics. Chemical science, 2018, 9, 7829-7834 |
| 1549819 | CIF HKL | C17 H20 N6 O2 | P -1 | 7.3968; 10.6475; 12.7769 106.577; 100.809; 108.208 | 872.83 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M. 5-Methyl-1-(4-methylphenyl)-<i>N</i>'-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]-1<i>H</i>-1,2,3-triazole-4-carbohydrazide monohydrate IUCrData, 2018, 3, x181162 |
| 1549820 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.2503; 10.1169; 11.3784 81.03; 88.843; 82.58 | 479.24 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549821 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.0958; 9.372; 10.9859 85.224; 88.977; 84.909 | 418.56 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549822 | CIF | C7 H8 Cu I N2 O2 | P -1 | 3.9623; 8.824; 10.6104 87.89; 88.524; 87.3 | 370.2 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549823 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.0071; 9.009; 10.7254 87.042; 88.693; 86.485 | 385.87 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549824 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.1474; 9.5705; 11.1208 84.163; 88.992; 84.152 | 436.83 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549825 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.0175; 9.064; 10.7655 86.743; 88.765; 86.231 | 390.48 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549826 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.0406; 9.151; 10.8365 86.375; 88.849; 85.829 | 398.78 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549827 | CIF | C7 H8 Cu I N2 O2 | P -1 | 3.9759; 8.862; 10.6257 87.71; 88.616; 87.1 | 373.52 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549828 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.1864; 9.741; 11.2181 83.217; 88.956; 83.522 | 451.36 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549829 | CIF | C7 H8 Cu I N2 O2 | P -1 | 3.989; 8.933; 10.667 87.474; 88.623; 86.839 | 379.07 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549830 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.068; 9.26; 10.911 85.828; 88.899; 85.395 | 408.56 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549831 | CIF | C7 H8 Cu I N2 O2 | P -1 | 3.997; 8.9646; 10.6952 87.267; 88.673; 86.652 | 382.06 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549832 | CIF | C7 H8 Cu I N2 O2 | P -1 | 4.0313; 9.11; 10.8051 86.619; 88.825; 86.015 | 395.12 | Conesa-Egea, Javier; Nogal, Noemí; Martínez, José Ignacio; Fernández-Moreira, Vanesa; Rodríguez-Mendoza, Ulises R; González-Platas, Javier; Gómez-García, Carlos J; Delgado, Salomé; Zamora, Félix; Amo-Ochoa, Pilar Smart composite films of nanometric thickness based on copper-iodine coordination polymers. Toward sensors. Chemical science, 2018, 9, 8000-8010 |
| 1549833 | CIF | C71 H102 Fe4 O6 | P 1 21/n 1 | 12.2994; 22.698; 23.587 90; 99.188; 90 | 6500.3 | Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L. Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling Chemical Science, 2018 |
| 1549834 | CIF | C76 H114 Br2 F4 Fe2 Mg2 O14.5 | P -1 | 12.3417; 15.4069; 21.5668 100.062; 99.279; 94.4973 | 3960.9 | Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L. Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling Chemical Science, 2018 |
| 1549835 | CIF | C94 H140 Fe2 Mg2 O16 | P -1 | 12.4649; 12.9212; 15.2879 69.5966; 81.444; 88.91 | 2280.7 | Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L. Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling Chemical Science, 2018 |
| 1549836 | CIF | C18 H30 Fe0.58 Mg0.42 O6 | P 1 21/c 1 | 15.2106; 11.1429; 12.9636 90; 114.031; 90 | 2006.76 | Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L. Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling Chemical Science, 2018 |
| 1549837 | CIF | C60 H78 Fe4 O6 | F d d d | 20.134; 24.672; 43.274 90; 90; 90 | 21496 | Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L. Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling Chemical Science, 2018 |
| 1549838 | CIF | C58 H74 Fe4 O4 | P 1 21/c 1 | 16.159; 17.191; 18.694 90; 98.545; 90 | 5135.3 | Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L. Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling Chemical Science, 2018 |
| 1549839 | CIF | C52 H56 F6 Fe4 O4 | I 41/a m d | 15.5897; 15.5897; 45.3118 90; 90; 90 | 11012.5 | Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L. Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling Chemical Science, 2018 |
| 1549840 | CIF | C86 H118 F6 Fe2 Mg2 O14 | P -1 | 12.7545; 12.82; 14.971 96.604; 108.178; 113.494 | 2050.9 | Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L. Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling Chemical Science, 2018 |
| 1549841 | CIF | C80 H112 Fe2 Mg N6 O9.5 | P 42/n | 20.048; 20.048; 19.32 90; 90; 90 | 7765.1 | Carpenter, Stephanie H.; Baker, Tessa M.; Munoz, Salvador; Brennessel, William W.; Neidig, Michael L. Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts and PhMgBr: Identification of Fe4(μ-Ph)6(THF)4 as a Key Reactive Species for Cross-Coupling Chemical Science, 2018 |
| 1549842 | CIF | C69 H59 Br2 Co N9 O9 S2 | P 1 | 8.8042; 13.872; 15.012 113.273; 91.702; 108.265 | 1574.4 | Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation. Chemical science, 2018, 9, 7986-7991 |
| 1549843 | CIF | C69 H59 Br2 Co N9 O9 S2 | P 1 | 8.933; 14.009; 15.07 113.024; 91.175; 108.218 | 1627 | Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation. Chemical science, 2018, 9, 7986-7991 |
| 1549844 | CIF | C69 H55 Br2 Co N9 O7 S2 | P 1 | 8.7198; 13.8688; 15.15 112.076; 90.143; 106.456 | 1615.99 | Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation. Chemical science, 2018, 9, 7986-7991 |
| 1549845 | CIF | C69 H55 Br2 Co N9 O7 S2 | P 1 | 8.6715; 13.689; 15.1994 112.725; 90.764; 106.662 | 1578.49 | Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation. Chemical science, 2018, 9, 7986-7991 |
| 1549846 | CIF | C69 H59 Br2 Co N9 O9 S2 | P 1 | 8.8606; 13.9125; 14.9455 65.422; 87.897; 71.56 | 1579.8 | Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation. Chemical science, 2018, 9, 7986-7991 |
| 1549847 | CIF | C69 H55 Br2 Co N9 O7 S2 | P 1 | 8.6306; 13.5529; 15.2106 113.16; 91.252; 106.863 | 1546.66 | Shao, Dong; Shi, Le; Yin, Lei; Wang, Bao-Lin; Wang, Zhen-Xing; Zhang, Yi-Quan; Wang, Xin-Yi Reversible on-off switching of both spin crossover and single-molecule magnet behaviours <i>via</i> a crystal-to-crystal transformation. Chemical science, 2018, 9, 7986-7991 |
| 1549848 | CIF | C23 H22 Br N O4 | P 21 21 21 | 8.3737; 10.0127; 24.658 90; 90; 90 | 2067.41 | Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines. Chemical science, 2018, 9, 8094-8098 |
| 1549849 | CIF | C26 H32 N2 O8 S | P 1 | 6.25857; 10.36; 11.9013 64.561; 87.812; 84.16 | 693.22 | Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines. Chemical science, 2018, 9, 8094-8098 |
| 1549850 | CIF | C144 Dy12 O64 | F m -3 m | 24.8328; 24.8328; 24.8328 90; 90; 90 | 15313.6 | Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L. Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes. Chemical science, 2018, 9, 8099-8102 |
| 1549851 | CIF | C42 H24 Dy3 N6 O16 | F m -3 m | 29.9107; 29.9107; 29.9107 90; 90; 90 | 26759.6 | Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L. Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes. Chemical science, 2018, 9, 8099-8102 |
| 1549852 | CIF | C42 H24 Dy3 O20 | F m -3 m | 27.5659; 27.5659; 27.5659 90; 90; 90 | 20946.7 | Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L. Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes. Chemical science, 2018, 9, 8099-8102 |
| 1549853 | CIF | C19 H15 Br N2 O3 | P 1 21/c 1 | 10.499; 20.581; 8.367 90; 108.054; 90 | 1718.9 | Lovato, Kaitlyn; Guo, Lirong; Xu, Qing-Long; Liu, Fengting; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László; Gao, Hongyin Transition metal-free direct dehydrogenative arylation of activated C(sp<sup>3</sup>)-H bonds: synthetic ambit and DFT reactivity predictions. Chemical science, 2018, 9, 7992-7999 |
| 1549854 | CIF | C18 H13 F3 N2 O4 | P 1 21/c 1 | 18.29; 10.7507; 9.233 90; 98.659; 90 | 1794.8 | Lovato, Kaitlyn; Guo, Lirong; Xu, Qing-Long; Liu, Fengting; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László; Gao, Hongyin Transition metal-free direct dehydrogenative arylation of activated C(sp<sup>3</sup>)-H bonds: synthetic ambit and DFT reactivity predictions. Chemical science, 2018, 9, 7992-7999 |
| 1549855 | CIF | C21 H33 Cl2 N Si Ti | P -1 | 8.268; 11.8794; 12.9943 71.395; 78.04; 70.734 | 1134.41 | Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis Catalysis Science & Technology, 2018, 8, 5454 |
| 1549856 | CIF | C32 H49 Cl2 N Si Ti | P -1 | 9.966; 12.4507; 15.2615 112.445; 108.902; 90.786 | 1635.29 | Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis Catalysis Science & Technology, 2018, 8, 5454 |
| 1549857 | CIF | C20 H31 Cl2 N Si Ti | P 1 21/c 1 | 11.5225; 12.9843; 15.2891 90; 104.979; 90 | 2209.7 | Williams, Thomas J.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot Group 4 permethylindenyl constrained geometry complexes for ethylene polymerisation catalysis Catalysis Science & Technology, 2018, 8, 5454 |
| 1549858 | CIF | C23 H26 Ir N O3 | P b c a | 16.13031; 14.54437; 17.33703 90; 90; 90 | 4067.36 | Pèrez-Miqueo, Jorge; San Nacianceno, Virginia; Urquiola, F. Borja; Freixa, Zoraida Revisiting the iridacycle-catalyzed hydrosilylation of enolizable imines Catalysis Science & Technology, 2018, 8, 6316 |
| 1549859 | CIF | C21 H15 N3 O3 | P 1 21/c 1 | 10.2072; 22.8173; 7.0823 90; 90.009; 90 | 1649.47 | Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals. Chemical science, 2018, 9, 7318-7326 |
| 1549860 | CIF | C9 H7 N O5 | P -1 | 7.2306; 7.3257; 8.8664 106.573; 100.859; 94.501 | 437.69 | Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals. Chemical science, 2018, 9, 7318-7326 |
| 1549861 | CIF | C12 H12 Cu N2 O6 | P -1 | 5.0866; 7.5068; 9.0684 76.038; 85.125; 72.229 | 319.98 | Das, Deb Kumar; Kumar Pampana, V. Kishore; Hwang, Kuo Chu Copper catalyzed photoredox synthesis of α-keto esters, quinoxaline, and naphthoquinone: controlled oxidation of terminal alkynes to glyoxals. Chemical science, 2018, 9, 7318-7326 |
| 1549862 | CIF | C800.5 H916 Cl20.5 Cu8 N43 O114 | P -1 | 30.0973; 30.8663; 31.9583 91.509; 102.049; 94.109 | 28934 | Le Poul, Nicolas; Colasson, Benoit; Thiabaud, Grégory; Dit Fouque, Dany Jeanne; Iacobucci, Claudio; Memboeuf, Antony; Douziech, Bénédicte; Řezáč, Jan; Prangé, Thierry; de la Lande, Aurélien; Reinaud, Olivia; Le Mest, Yves Gating the electron transfer at a monocopper centre through the supramolecular coordination of water molecules within a protein chamber mimic. Chemical science, 2018, 9, 8282-8290 |
| 1549863 | CIF | C42 H28 Br2 | P -1 | 9.928; 11.964; 13.33 91.365; 90.705; 93.476 | 1579.8 | Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J. Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction. Chemical science, 2018, 9, 7866-7873 |
| 1549864 | CIF | C60 H38 | P -1 | 9.859; 13.666; 14.502 91.78; 96.21; 110.33 | 1816.5 | Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J. Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction. Chemical science, 2018, 9, 7866-7873 |
| 1549865 | CIF | C34.33333 H18.66667 Cl0.66667 S2 | P 1 21/n 1 | 9.2129; 21.272; 36.423 90; 91.73; 90 | 7135 | Kasun, Zachary A.; Sato, Hiroki; Nie, Jing; Mori, Yasuyuki; Bender, Jon A.; Roberts, Sean T.; Krische, Michael J. Alternating oligo(<i>o</i>,<i>p</i>-phenylenes) <i>via</i> ruthenium catalyzed diol-diene benzannulation: orthogonality to cross-coupling enables <i>de novo</i> nanographene and PAH construction. Chemical science, 2018, 9, 7866-7873 |
| 1549866 | CIF | C25 H35 N O3 | P -1 | 6.74; 11.686; 15.408 80.71; 80.08; 74.51 | 1143.5 | Gude, Venkatesh; Rout, Duttanjali; Panigrahi, Mruganka Kumar; Biradha, Kumar Origin of green photoluminescence in four-ring bent-core molecules with ESIPT, selective sensing of zinc ions by turn-on emission and their liquid crystal properties. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 1386-1395 |
| 1549867 | CIF | C35 H36 N2 O6 | P 1 21/c 1 | 6.5854; 61.276; 7.3258 90; 90.629; 90 | 2956 | Gude, Venkatesh; Rout, Duttanjali; Panigrahi, Mruganka Kumar; Biradha, Kumar Origin of green photoluminescence in four-ring bent-core molecules with ESIPT, selective sensing of zinc ions by turn-on emission and their liquid crystal properties. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 1386-1395 |
| 1549868 | CIF | C20 H20 Cl N3 O2 Pd | P 1 21 1 | 10.7684; 9.0383; 10.859 90; 118.567; 90 | 928.22 | Wu, Xiaolu; Yang, Zhi; Yan, Xinwen; Zhang, Pengfei; Wang, Lin; Guo, Ge; Dong, Yuping; Li, Xiaofang Polymerization of 1-chloro-2-phenylacetylene by cationic monoanionic tridentate (S,S)-bis(oxazolinylphenyl)amido-ligated palladium catalysts: is it a coordination‒insertion mechanism? Polymer Chemistry, 2018, 9, 4856 |
| 1549869 | CIF HKL Paper | C25 H47 N O7 | P 21 21 21 | 7.9093; 13.3712; 25.3669 90; 90; 90 | 2682.72 | Eitel, Michael; Schollmeyer, Dieter; Gross, Harald; Koch, Pierre (2<i>S</i>,3<i>S</i>)-2-Azaniumyl-4-[(1<i>S</i>,4a<i>S</i>,4b<i>S</i>,6<i>S</i>,7<i>S</i>,8a<i>S</i>,10a<i>S</i>)-6,7-dihydroxy-2,4b,8,8,10a-pentamethyl-1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]-3-methoxybutanoate–methanol–water (1/1/1) IUCrData, 2018, 3, x181194 |
| 1549870 | CIF HKL Paper | C9 H14 Br4 Co N4 | C 1 2/c 1 | 15.7782; 7.4076; 28.567 90; 95.7271; 90 | 3322.2 | Peppel, Tim; Spannenberg, Anke 3,3'-Dimethyl-1,1'-methylenediimidazolium tetrabromidocobaltate(II) IUCrData, 2018, 3, x181212 |
| 1549871 | CIF HKL Paper | C18 H13 Cl2 N O2 | P -1 | 7.4005; 10.4272; 10.5704 86.076; 72.382; 81.325 | 768.3 | Grinev, Vyacheslav S.; Osipov, Alexander K.; Yegorova, Alevtina Yu. (<i>Z</i>)-3-[(3,5-Dichloroanilino)methylidene]-5-(4-methylphenyl)furan-2(3<i>H</i>)-one IUCrData, 2018, 3, x181224 |
| 1549872 | CIF HKL Paper | C13 H13 N2 O7 | P -1 | 7.2618; 8.9419; 11.0001 85.545; 86.177; 75.248 | 687.84 | Dziuk, Błażej; Jezuita, Anna 2,2'-Bipyridin-1-ium hemioxalate oxalic acid monohydrate IUCrData, 2018, 3, x181219 |
| 1549873 | CIF | C28 H34 Cl Ir N2 | P -1 | 9.7423; 11.066; 12.1673 100.717; 104.685; 96.543 | 1228.72 | Wong, Chin Min; Fekete, Marianna; Nelson-Forde, Rhianna; Gatus, Mark R. D.; Rayner, Peter J.; Whitwood, Adrian C.; Duckett, Simon B.; Messerle, Barbara A. Harnessing asymmetric N-heterocyclic carbene ligands to optimise SABRE hyperpolarisation. Catalysis science & technology, 2018, 8, 4925-4933 |
| 1549874 | CIF | C13 H13 N O3 | P -1 | 5.8314; 9.95; 10.2599 71.126; 76.243; 77.203 | 540.33 | Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard Poly(2-oxazoline)s with pendant cubane groups Polymer Chemistry, 2018, 9, 4840 |
| 1549875 | CIF | C24 H22 Cl N O6 | P 1 21/c 1 | 5.33701; 17.9259; 21.5579 90; 92.9404; 90 | 2059.74 | Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard Poly(2-oxazoline)s with pendant cubane groups Polymer Chemistry, 2018, 9, 4840 |
| 1549876 | CIF | C13 H14 Cl N O3 | P b c a | 9.1082; 10.2539; 25.5319 90; 90; 90 | 2384.5 | Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard Poly(2-oxazoline)s with pendant cubane groups Polymer Chemistry, 2018, 9, 4840 |
| 1549877 | CIF | C44 H37 Cl4 N6 O1.5 | R -3 c :H | 16.521; 16.521; 49.1998 90; 90; 120 | 11629.6 | Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation. Chemical science, 2018, 9, 7614-7619 |
| 1549878 | CIF | C44 H32 Cl6 N6 | C 1 c 1 | 5.7565; 25.735; 26.34 90; 91.02; 90 | 3901.5 | Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation. Chemical science, 2018, 9, 7614-7619 |
| 1549879 | CIF | C63 H60 N6 O12 S3 | P -1 | 9.9758; 14.1235; 21.6617 98.632; 94.107; 107.17 | 2861.15 | Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation. Chemical science, 2018, 9, 7614-7619 |
| 1549880 | CIF | C17 H16 B Cd N8 O5 | P 1 21/c 1 | 9.2198; 14.0236; 15.7941 90; 105.723; 90 | 1965.69 | Wen, Tian; Zheng, Yao; Xu, Chaochen; Zhang, Jian; Jaroniec, Mietek; Qiao, Shi-Zhang A boron imidazolate framework with mechanochromic and electrocatalytic properties Materials Horizons, 2018, 5, 1151 |
| 1549881 | CIF | C13 H8 Br N O Se | P 1 21/n 1 | 7.6043; 13.4161; 11.8847 90; 103.676; 90 | 1178.1 | Shukla, Rahul; Claiser, Nicolas; Souhassou, Mohamed; Lecomte, Claude; Balkrishna, Shah Jaimin; Kumar, Sangit; Chopra, Deepak Exploring the simultaneous σ-hole/π-hole bonding characteristics of a Br···π interaction in an ebselen derivative <i>via</i> experimental and theoretical electron-density analysis IUCrJ, 2018, 5, 647-653 |
| 1549882 | CIF | C19 H18 N2 O2 | P 1 21/c 1 | 11.2477; 15.3784; 9.6298 90; 114.204; 90 | 1519.25 | Matsuura, Rei; Jankins, Tanner C.; Hill, David E.; Yang, Kin S.; Gallego, Gary M.; Yang, Shouliang; He, Mingying; Wang, Fen; Marsters, Rohan P.; McAlpine, Indrawan; Engle, Keary M. Palladium(ii)-catalyzed γ-selective hydroarylation of alkenyl carbonyl compounds with arylboronic acids. Chemical science, 2018, 9, 8363-8368 |
| 1549883 | CIF | C12 H18 N3 Na O7 | P 1 21/n 1 | 6.5197; 35.222; 7.231 90; 102.838; 90 | 1619 | Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J. Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers. Chemical science, 2018, 9, 8150-8159 |
| 1549884 | CIF | C65 H63 N11 O13 | I 1 2/a 1 | 35.5103; 9.6091; 37.3391 90; 103.589; 90 | 12384.3 | Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J. Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers. Chemical science, 2018, 9, 8150-8159 |
| 1549885 | CIF | C12 H16 N3 Na O6 | P -1 | 6.1765; 7.0883; 17.5927 88.175; 83.629; 69.716 | 717.98 | Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J. Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers. Chemical science, 2018, 9, 8150-8159 |
| 1549886 | CIF | C60 H30 N9 O9 | P -1 | 9.6864; 29.786; 34.468 71.898; 88.532; 89.954 | 9449.1 | Oldknow, Samuel; Martir, Diego Rota; Pritchard, Victoria E.; Blitz, Mark A.; Fishwick, Colin W. G.; Zysman-Colman, Eli; Hardie, Michaele J. Structure-switching M<sub>3</sub>L<sub>2</sub> Ir(iii) coordination cages with photo-isomerising azo-aromatic linkers. Chemical science, 2018, 9, 8150-8159 |
| 1549887 | CIF | C75 H58 B Br Co F24 P4 | P 1 21/c 1 | 13.2806; 27.575; 20.326 90; 99.632; 90 | 7338.7 | Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D. Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N). Chemical science, 2018, 9, 8234-8241 |
| 1549888 | CIF | C84 H67 B Co F24 P4 | P -1 | 13.0252; 17.6478; 18.721 103.179; 108.177; 99.43 | 3850.3 | Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D. Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N). Chemical science, 2018, 9, 8234-8241 |
| 1549889 | CIF | C79 H60 B Co F24.5 P4 S | P -1 | 15.234; 17.698; 18.812 107.508; 101.067; 114.08 | 4117.5 | Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D. Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N). Chemical science, 2018, 9, 8234-8241 |
| 1549890 | CIF | C79 H54 B Co F24 O P3 | P 1 21/n 1 | 14.313; 28.967; 18.3198 90; 104.992; 90 | 7336.9 | Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D. Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N). Chemical science, 2018, 9, 8234-8241 |
| 1549891 | CIF | C86 H70 B Co F24 P3 | P -1 | 15.392; 16.404; 17.511 72.538; 72.836; 86.072 | 4028.8 | Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D. Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N). Chemical science, 2018, 9, 8234-8241 |
| 1549892 | CIF | C80.5 H65 B Co F24 N P3 | P -1 | 12.6883; 18.4229; 18.5758 115.784; 99.469; 97.331 | 3758.4 | Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D. Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N). Chemical science, 2018, 9, 8234-8241 |
| 1549893 | CIF | C77.75 H61.5 B Co F24.12 N P4 | P 1 21/n 1 | 18.5988; 21.2082; 18.9102 90; 90.121; 90 | 7459.1 | Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D. Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N). Chemical science, 2018, 9, 8234-8241 |
| 1549894 | CIF | C75 H58 B Co F24 O P4 | P -1 | 13.183; 16.54; 16.808 82.81; 83.316; 84.81 | 3600.7 | Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D. Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N). Chemical science, 2018, 9, 8234-8241 |
| 1549895 | CIF | C75 H59 B Co F24 P4 | P 1 21/c 1 | 11.8224; 19.1322; 33.4483 90; 97.5642; 90 | 7499.8 | Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D. Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N). Chemical science, 2018, 9, 8234-8241 |
| 1549896 | CIF | C81 H64 B Co F25 O P4 | P -1 | 14.706; 15.1357; 19.031 71.3492; 83.8715; 80.5636 | 3952.6 | Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D. Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N). Chemical science, 2018, 9, 8234-8241 |
| 1549897 | CIF | C83 H64 B Co F24 P4 | P 1 21/n 1 | 16.2021; 25.658; 18.5436 90; 90.185; 90 | 7708.8 | Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D. Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N). Chemical science, 2018, 9, 8234-8241 |
| 1549898 | CIF HKL Paper | C22 H36 N2 | P 1 21/n 1 | 5.6271; 21.1764; 8.2787 90; 105.86; 90 | 948.95 | Grace, P. Selvarathy; Nirmalram, Jeyaraman Selvaraj; Nayagam, B. Ravindran Durai; Schollmeyer, Dieter 1,1'-[(2,3,5,6-Tetramethyl-1,4-phenylene)bis(methylene)]dipiperidine IUCrData, 2018, 3, x181237 |
| 1549899 | CIF HKL Paper | C15 H14 N4 O3 | P 1 | 5.859; 7.479; 16.329 93.818; 91.29; 94.252 | 711.7 | Wang, Zhaodong; Ni, Haitao Methyl 4-{<i>N</i>'-[(1<i>E</i>)-1-(pyrazin-2-yl)ethylidene]hydrazinecarbonyl}benzoate IUCrData, 2018, 3, x181230 |
| 1549900 | CIF | O2 Ta0.5 Ti0.25 Zn0.25 | P 42/m n m | 4.6987; 4.6987; 9.1296 90; 90; 90 | 201.56 | Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y. Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta) Journal of Asian Ceramic Societies, 2018, 6, 247-253 |
| 1549901 | CIF | Nb0.5 O2 Ti0.25 Zn0.25 | P b c n | 4.67138; 5.65916; 5.00745 90; 90; 90 | 132.377 | Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y. Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta) Journal of Asian Ceramic Societies, 2018, 6, 247-253 |
| 1549902 | CIF | Mg0.25 Nb0.5 O2 Ti0.25 | P 42/m n m | 4.69585; 4.69585; 3.0426 90; 90; 90 | 67.092 | Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y. Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta) Journal of Asian Ceramic Societies, 2018, 6, 247-253 |
| 1549903 | CIF | Mg0.25 O2 Ta0.5 Ti0.25 | P 42/m n m | 4.6876; 4.6876; 9.1385 90; 90; 90 | 200.806 | Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y. Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta) Journal of Asian Ceramic Societies, 2018, 6, 247-253 |
| 1549904 | CIF | C17 H21 N O2 S | P -1 | 7.4134; 8.4142; 12.1239 84.72; 88.99; 84.549 | 749.62 | Llorente, Nuria; Fernández-Pérez, Héctor; Bauzá, Antonio; Frontera, Antonio; Vidal-Ferran, Anton Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study Catalysis Science & Technology, 2018, 8, 5251 |
| 1549905 | CIF | C16 H22 O4 | P -1 | 6.2605; 9.8392; 12.7844 67.7938; 88.4599; 84.1325 | 725.21 | Llorente, Nuria; Fernández-Pérez, Héctor; Bauzá, Antonio; Frontera, Antonio; Vidal-Ferran, Anton Ni-Catalysed Intramolecular [4+4]-cycloadditions of bis-dienes towards eight-membered fused bicyclic systems: a combined experimental and computational study Catalysis Science & Technology, 2018, 8, 5251 |
| 1549906 | CIF | C22 H18 N2 | P 21 21 21 | 7.652; 14.111; 15.379 90; 90; 90 | 1661 | Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes. Chemical science, 2018, 9, 8416-8425 |
| 1549907 | CIF | C26 H20 N2 | P -1 | 15.147; 15.449; 16.488 82.861; 80.898; 78.48 | 3716 | Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes. Chemical science, 2018, 9, 8416-8425 |
| 1549908 | CIF | C22 H18 N2 | P n a 21 | 13.252; 5.704; 42.601 90; 90; 90 | 3220 | Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes. Chemical science, 2018, 9, 8416-8425 |
| 1549909 | CIF | C33 H50.5 Ce0.5 N3 O1.5 | P 1 21/c 1 | 18.8567; 20.0714; 19.2011 90; 102.741; 90 | 7088.3 | Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D. Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes. Chemical science, 2018, 9, 8035-8045 |
| 1549910 | CIF | C62 H100 Br4 Ce2 Li2 N6 O4 | P 1 21/n 1 | 14.083; 17.4883; 15.0209 90; 99.155; 90 | 3652.34 | Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D. Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes. Chemical science, 2018, 9, 8035-8045 |
| 1549911 | CIF | C70 H105 Ce N8 O3 S2 | P 1 21/c 1 | 16.491; 25.6698; 18.9736 90; 100.574; 90 | 7895.5 | Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D. Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes. Chemical science, 2018, 9, 8035-8045 |
| 1549912 | CIF | C77 H93 Ce N6 O9 | P -1 | 17.1931; 18.0941; 18.142 60.078; 63.808; 83.013 | 4353.9 | Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D. Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes. Chemical science, 2018, 9, 8035-8045 |
| 1549913 | CIF | C76 H99 Ce N6 O9 | P -1 | 15.9574; 17.7857; 17.8098 62.686; 69.389; 77.518 | 4194.6 | Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D. Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes. Chemical science, 2018, 9, 8035-8045 |
| 1549914 | CIF | C84 H105 Ce N6 O3 | P 1 21/c 1 | 12.6458; 24.6116; 24.4523 90; 93.8; 90 | 7593.6 | Arnold, Polly L.; Kerr, Ryan W. F.; Weetman, Catherine; Docherty, Scott R.; Rieb, Julia; Cruickshank, Faye L.; Wang, Kai; Jandl, Christian; McMullon, Max W.; Pöthig, Alexander; Kühn, Fritz E; Smith, Andrew D. Selective and catalytic carbon dioxide and heteroallene activation mediated by cerium N-heterocyclic carbene complexes. Chemical science, 2018, 9, 8035-8045 |
| 1549915 | CIF | C72 H44 Au4 Fe2 N12 | C 1 c 1 | 33.2202; 13.2404; 15.202 90; 113.392; 90 | 6137 | Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer. Chemical science, 2018, 9, 8446-8452 |
| 1549916 | CIF | C72 H44 Au4 N12 Zn2 | C 1 c 1 | 33.4492; 13.0989; 16.2467 90; 112.538; 90 | 6574.8 | Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer. Chemical science, 2018, 9, 8446-8452 |
| 1549917 | CIF | C72 H44 Au4 Fe2 N12 | C 1 c 1 | 33.557; 13.117; 16.174 90; 112.407; 90 | 6581.8 | Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer. Chemical science, 2018, 9, 8446-8452 |
| 1549918 | CIF | C72 H44 Au4 N12 Zn2 | C 1 c 1 | 33.219; 12.9438; 16.3125 90; 111.934; 90 | 6506.3 | Delgado, Teresa; Meneses-Sánchez, Manuel; Piñeiro-López, Lucía; Bartual-Murgui, Carlos; Muñoz, M Carmen; Real, José Antonio Thermo- and photo-modulation of exciplex fluorescence in a 3D spin crossover Hofmann-type coordination polymer. Chemical science, 2018, 9, 8446-8452 |
| 1549919 | CIF | C23 H16 N4 O S | P 21 21 21 | 7.8612; 9.8518; 27.1605 90; 90; 90 | 2103.5 | Wang, Chunfei; Cheng, Xiaoxiang; Tan, Jingyun; Ding, Zhaoyang; Wang, Wenjing; Yuan, Daqiang; Li, Gang; Zhang, Hongjie; Zhang, Xuanjun Reductive cleavage of C[double bond, length as m-dash]C bonds as a new strategy for turn-on dual fluorescence in effective sensing of H<sub>2</sub>S. Chemical science, 2018, 9, 8369-8374 |
| 1549920 | CIF | C17 H10 N3 S2 | P 1 21 1 | 8.7916; 5.6255; 14.7562 90; 95.407; 90 | 726.55 | Wang, Chunfei; Cheng, Xiaoxiang; Tan, Jingyun; Ding, Zhaoyang; Wang, Wenjing; Yuan, Daqiang; Li, Gang; Zhang, Hongjie; Zhang, Xuanjun Reductive cleavage of C[double bond, length as m-dash]C bonds as a new strategy for turn-on dual fluorescence in effective sensing of H<sub>2</sub>S. Chemical science, 2018, 9, 8369-8374 |
| 1549921 | CIF | C13 H17 N3 O4 | P -1 | 8.098; 10.0379; 10.4154 116.381; 111.697; 92.496 | 682.41 | Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E. Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches. Chemical science, 2018, 9, 8242-8252 |
| 1549922 | CIF | C19 H21 N3 O5 | P -1 | 6.695; 10.327; 13.555 107.4; 92.61; 102.79 | 865.8 | Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E. Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches. Chemical science, 2018, 9, 8242-8252 |
| 1549923 | CIF | C15 H19 N3 O4 | P 1 21/c 1 | 9.999; 17.469; 8.521 90; 98.76; 90 | 1471 | Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E. Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches. Chemical science, 2018, 9, 8242-8252 |
| 1549924 | CIF | C14 H23 N3 O6 | P 1 21/n 1 | 8.789; 10.706; 17.342 90; 99.97; 90 | 1607.2 | Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E. Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches. Chemical science, 2018, 9, 8242-8252 |
| 1549925 | CIF | C11 H10 N2 O4 | P 1 21/n 1 | 12.8188; 6.1493; 13.1714 90; 99.328; 90 | 1024.53 | Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E. Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches. Chemical science, 2018, 9, 8242-8252 |
| 1549926 | CIF | C24 H31 N3 O5 | P 1 21/c 1 | 11.8801; 9.9317; 20.246 90; 104.31; 90 | 2314.7 | Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E. Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches. Chemical science, 2018, 9, 8242-8252 |
| 1549927 | CIF | C20 H21 Cl3 D N3 O5 | P 1 21/n 1 | 6.747; 22.937; 13.927 90; 90.66; 90 | 2155.1 | Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E. Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches. Chemical science, 2018, 9, 8242-8252 |
| 1549928 | CIF | C19 H28 N3 O7.5 | P 1 21/c 1 | 11.253; 15.863; 22.909 90; 99.957; 90 | 4027.8 | Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E. Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches. Chemical science, 2018, 9, 8242-8252 |
| 1549929 | CIF | C15.5 H20.27 Cl N3 O4.64 | P -1 | 10.42; 13.2; 13.9 89.03; 85.92; 75.68 | 1847.8 | Mallo, Neil; Foley, Eric D.; Iranmanesh, Hasti; Kennedy, Aaron D. W.; Luis, Ena T.; Ho, Junming; Harper, Jason B.; Beves, Jonathon E. Structure-function relationships of donor-acceptor Stenhouse adduct photochromic switches. Chemical science, 2018, 9, 8242-8252 |
| 1549930 | CIF | C642 H612 Cl12 Co48 N72 O126 S48 | R -3 :H | 37.232; 37.232; 80.093 90; 90; 120 | 96152 | Geng, Dantong; Han, Xu; Bi, Yanfeng; Qin, Yucai; Li, Qiang; Huang, Liangliang; Zhou, Kun; Song, Lijuan; Zheng, Zhiping Merohedral icosahedral M<sub>48</sub> (M = Co<sup>II</sup>, Ni<sup>II</sup>) cage clusters supported by thiacalix[4]arene. Chemical science, 2018, 9, 8535-8541 |
| 1549931 | CIF | C642 H612 Cl12 N72 Ni48 O126 S48 | R -3 :H | 37.799; 37.799; 86.192 90; 90; 120 | 106649 | Geng, Dantong; Han, Xu; Bi, Yanfeng; Qin, Yucai; Li, Qiang; Huang, Liangliang; Zhou, Kun; Song, Lijuan; Zheng, Zhiping Merohedral icosahedral M<sub>48</sub> (M = Co<sup>II</sup>, Ni<sup>II</sup>) cage clusters supported by thiacalix[4]arene. Chemical science, 2018, 9, 8535-8541 |
| 1549932 | CIF | C18 H17 N O3 | P -1 | 8.596; 9.3242; 9.5215 101.132; 103.244; 96.071 | 719.84 | Li, Shuai-Shuai; Lv, Xintong; Ren, Didi; Shao, Chang-Lun; Liu, Qing; Xiao, Jian Redox-triggered cascade dearomative cyclizations enabled by hexafluoroisopropanol. Chemical science, 2018, 9, 8253-8259 |
| 1549933 | CIF | C49 H50 N6 O Y | P 1 2/n 1 | 22.637; 9.781; 23.089 90; 118.062; 90 | 4511 | Zhang, Dexing; Liu, Ruiting; Zhou, Xigeng Intramolecular alkene hydroamination and degradation of amidines: divergent behavior of rare earth metal amidinate intermediates Catalysis Science & Technology, 2018, 8, 5573 |
| 1549934 | CIF | C114 H108 N16 O12 | P 1 2/c 1 | 26.0567; 14.2086; 28.6868 90; 94.091; 90 | 10593.6 | Qu, Hang; Tang, Xiao; Wang, Xinchang; Li, Zhihao; Huang, Zheyu; Zhang, Hui; Tian, Zhongqun; Cao, Xiaoyu Chiral molecular face-rotating sandwich structures constructed through restricting the phenyl flipping of tetraphenylethylene. Chemical science, 2018, 9, 8814-8818 |
| 1549935 | CIF | C114 H108 N16 O12 | P c c n | 19.0205; 20.3813; 30.1755 90; 90; 90 | 11697.9 | Qu, Hang; Tang, Xiao; Wang, Xinchang; Li, Zhihao; Huang, Zheyu; Zhang, Hui; Tian, Zhongqun; Cao, Xiaoyu Chiral molecular face-rotating sandwich structures constructed through restricting the phenyl flipping of tetraphenylethylene. Chemical science, 2018, 9, 8814-8818 |
| 1549936 | CIF | C20 H26 Cu F18 N8 O P3 | C 1 2/m 1 | 22.923; 11.8528; 15.482 90; 127.476; 90 | 3338.3 | Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate. Chemical science, 2018, 9, 8307-8314 |
| 1549937 | CIF | C42 H59 Cu4 F24 N17 O4 P4 S4 | C 1 c 1 | 26.95; 11.628; 21.3978 90; 90.293; 90 | 6705.4 | Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate. Chemical science, 2018, 9, 8307-8314 |
| 1549938 | CIF | C22 H28 F18 N11 O P3 | P -1 | 10.1257; 12.8486; 14.7435 110.335; 96.001; 97.292 | 1761.1 | Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate. Chemical science, 2018, 9, 8307-8314 |
| 1549939 | CIF | C37 H36 Cl4 Cu3 F9 N16 O11 S3 | P 1 21/n 1 | 13.8276; 17.576; 22.488 90; 97.359; 90 | 5420.3 | Ghavami, Zohreh S.; Anneser, Markus R.; Kaiser, Felix; Altmann, Philipp J.; Hofmann, Benjamin J.; Schlagintweit, Jonas F.; Grivani, Gholamhossein; Kühn, Fritz E A bench stable formal Cu(iii) <i>N</i>-heterocyclic carbene accessible from simple copper(ii) acetate. Chemical science, 2018, 9, 8307-8314 |
| 1549940 | CIF | C15 H11 F O2 | I 1 2/a 1 | 13.2572; 5.1221; 16.7741 90; 97.5575; 90 | 1129.15 | Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W. A quantitative reactivity scale for electrophilic fluorinating reagents. Chemical science, 2018, 9, 8692-8702 |
| 1549941 | CIF | C17 H15 F O2 | C 1 2/c 1 | 11.1604; 11.7655; 10.819 90; 114.318; 90 | 1294.57 | Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W. A quantitative reactivity scale for electrophilic fluorinating reagents. Chemical science, 2018, 9, 8692-8702 |
| 1549942 | CIF | C17 H15 F O2 | P 1 21/c 1 | 8.5592; 12.9739; 12.3376 90; 102.407; 90 | 1338.05 | Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W. A quantitative reactivity scale for electrophilic fluorinating reagents. Chemical science, 2018, 9, 8692-8702 |
| 1549943 | CIF | C15 H9 F3 O2 | P 1 21 1 | 4.3647; 11.5018; 12.3118 90; 94.065; 90 | 616.52 | Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W. A quantitative reactivity scale for electrophilic fluorinating reagents. Chemical science, 2018, 9, 8692-8702 |
| 1549944 | CIF | C15 H9 Cl2 F O2 | P n m a | 6.0944; 30.676; 6.881 90; 90; 90 | 1286.4 | Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W. A quantitative reactivity scale for electrophilic fluorinating reagents. Chemical science, 2018, 9, 8692-8702 |
| 1549945 | CIF | C17 H15 F O4 | C m c 21 | 31.944; 7.0229; 6.1827 90; 90; 90 | 1387.02 | Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W. A quantitative reactivity scale for electrophilic fluorinating reagents. Chemical science, 2018, 9, 8692-8702 |
| 1549946 | CIF | C15 H9 F3 O2 | C 1 2/c 1 | 28.403; 6.1029; 6.9953 90; 102.753; 90 | 1182.66 | Rozatian, Neshat; Ashworth, Ian W.; Sandford, Graham; Hodgson, David R. W. A quantitative reactivity scale for electrophilic fluorinating reagents. Chemical science, 2018, 9, 8692-8702 |
| 1549947 | CIF | C10 H12 N2 | P c a m | 8.99566; 21.5226; 9.8982 90; 90; 90 | 1916.39 | Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole IUCrJ, 2018, 5 |
| 1549948 | CIF | C10 H12 N2 | P c a 21 | 9.0006; 20.7778; 9.7487 90; 90; 90 | 1823.13 | Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole IUCrJ, 2018, 5 |
| 1549949 | CIF | C10 H12 N2 | P n a 21 | 8.6825; 42.095; 9.7523 90; 90; 90 | 3564.4 | Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole IUCrJ, 2018, 5 |
| 1549950 | CIF HKL Paper | C20 H19 N O2 | P 1 21/c 1 | 9.362; 11.6073; 15.0732 90; 98.859; 90 | 1618.43 | Biruntha, K.; Reuben Jonathan, D.; Mohamooda Sumaya, U.; Dravida Thendral, E. R. A.; Usha, G. Crystal structure of (3<i>E</i>)-3-{(2<i>E</i>)-3-[4-(dimethylamino)phenyl]prop-2-enylidene}-3,4-dihydro-2<i>H</i>-chromen-4-one IUCrData, 2018, 3, x181273 |
| 1549951 | CIF HKL Paper | C17 H24 N2 O S | P 1 21/n 1 | 12.0255; 8.9303; 15.8822 90; 95.813; 90 | 1696.84 | Al Garadi, Wedad; Ramli, Youssef; El Ghayati, Lhoussaine; El Hafi, Mohamed; Moussaif, Ahmed; Essassi, El Mokhtar; Mague, Joel T. 4-Phenyl-2,5,5a,6,7,8,9,9a-hexahydro-1<i>H</i>-1,5-benzodiazepine-2-thione ethanol monosolvate IUCrData, 2018, 3, x181276 |
| 1549952 | CIF HKL Paper | C21 H16 O4 | P -1 | 7.9937; 9.3819; 12.2131 72.552; 86.895; 67.288 | 804.06 | Sung, Jiha 6-Methoxy-2-(2-methoxynaphthalen-1-yl)-4<i>H</i>-chromen-4-one IUCrData, 2018, 3, x181277 |
| 1549953 | CIF | C18 H15 Au Cl Sb | P 21 21 21 | 10.9035; 11.9862; 12.6785 90; 90; 90 | 1656.97 | Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster. Chemical science, 2018, 9, 8723-8730 |
| 1549954 | CIF | C45.6 H51 Au2 Cl2 O0.9 Sb2 | P 1 21 1 | 12.1481; 29.298; 12.605 90; 94.0574; 90 | 4475.1 | Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster. Chemical science, 2018, 9, 8723-8730 |
| 1549955 | CIF | C85.25 H73.25 Au Cl6 Sb5 | P 1 21/c 1 | 18.6854; 14.9411; 28.657 90; 97.503; 90 | 7932 | Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster. Chemical science, 2018, 9, 8723-8730 |
| 1549956 | CIF | C169 H142 Au13 B Cl6 Sb8 | P 1 21/c 1 | 16.7528; 46.762; 22.2312 90; 96.6202; 90 | 17299.7 | Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster. Chemical science, 2018, 9, 8723-8730 |
| 1549957 | CIF | C77 H77 Au Cl2 Sb4 | P 1 2/c 1 | 24.5859; 11.8194; 26.9019 90; 116.277; 90 | 7009.6 | Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster. Chemical science, 2018, 9, 8723-8730 |
| 1549958 | CIF | C30 H46 F6 N8 Ni2 O4 S2 | C 1 2/c 1 | 23.2608; 10.7528; 17.423 90; 117.976; 90 | 3848.6 | Truong, Phan T.; Broering, Ellen P.; Dzul, Stephen P.; Chakraborty, Indranil; Stemmler, Timothy L.; Harrop, Todd C. Simultaneous nitrosylation and N-nitrosation of a Ni-thiolate model complex of Ni-containing SOD. Chemical science, 2018, 9, 8567-8574 |
| 1549959 | CIF | C63 H88 F12 N12 Ni2 O5 S4 | P -1 | 13.3985; 16.8518; 18.0347 112.816; 92.719; 91.167 | 3745.9 | Truong, Phan T.; Broering, Ellen P.; Dzul, Stephen P.; Chakraborty, Indranil; Stemmler, Timothy L.; Harrop, Todd C. Simultaneous nitrosylation and N-nitrosation of a Ni-thiolate model complex of Ni-containing SOD. Chemical science, 2018, 9, 8567-8574 |
| 1549960 | CIF | C54 H74 Fe2 N4 P3 | C 1 2/c 1 | 22.1222; 15.3352; 15.7519 90; 92.864; 90 | 5337.1 | Yao, Shenglai; Forstner, Viktoria; Menezes, Prashanth W.; Panda, Chakadola; Mebs, Stefan; Zolnhofer, Eva M.; Miehlich, Matthias E.; Szilvási, Tibor; Ashok Kumar, Nanjundan; Haumann, Michael; Meyer, Karsten; Grützmacher, Hansjörg; Driess, Matthias From an Fe<sub>2</sub>P<sub>3</sub> complex to FeP nanoparticles as efficient electrocatalysts for water-splitting. Chemical science, 2018, 9, 8590-8597 |
| 1549961 | CIF | C164 H244 Fe4 K2 N8 O14 P6 | C 1 2/m 1 | 18.0839; 18.8962; 13.6307 90; 115.729; 90 | 4196.05 | Yao, Shenglai; Forstner, Viktoria; Menezes, Prashanth W.; Panda, Chakadola; Mebs, Stefan; Zolnhofer, Eva M.; Miehlich, Matthias E.; Szilvási, Tibor; Ashok Kumar, Nanjundan; Haumann, Michael; Meyer, Karsten; Grützmacher, Hansjörg; Driess, Matthias From an Fe<sub>2</sub>P<sub>3</sub> complex to FeP nanoparticles as efficient electrocatalysts for water-splitting. Chemical science, 2018, 9, 8590-8597 |
| 1549962 | CIF | C34 H24 N4 O8 | C 1 c 1 | 24.7983; 10.6757; 12.3066 90; 101.737; 90 | 3189.92 | Schierl, Christoph; Niazov-Elkan, Angelica; Shimon, Linda J. W.; Feldman, Yishay; Rybtchinski, Boris; Guldi, Dirk M. Singlet fission in self-assembled PDI nanocrystals. Nanoscale, 2018, 10, 20147-20154 |
| 1549963 | CIF | C23 H16 Cl N3 O3 | P 21 21 21 | 11.0105; 11.0264; 15.8268 90; 90; 90 | 1921.47 | Chen, Qiao; Zhu, Tingshun; Majhi, Pankaj Kumar; Mou, Chengli; Chai, Huifang; Zhang, Jingjie; Zhuo, Shitian; Chi, Yonggui Robin Carbene-catalyzed enantioselective oxidative coupling of enals and di(hetero)arylmethanes. Chemical science, 2018, 9, 8711-8715 |
| 1549964 | CIF | C23 H16 Br N3 O3 | P 1 21 1 | 5.7355; 16.4707; 10.5767 90; 105.481; 90 | 962.91 | Chen, Qiao; Zhu, Tingshun; Majhi, Pankaj Kumar; Mou, Chengli; Chai, Huifang; Zhang, Jingjie; Zhuo, Shitian; Chi, Yonggui Robin Carbene-catalyzed enantioselective oxidative coupling of enals and di(hetero)arylmethanes. Chemical science, 2018, 9, 8711-8715 |
| 1549965 | CIF | C21 H27.5 Au F6 N2.5 P S2 | P 1 21/c 1 | 11.9382; 26.6092; 16.1416 90; 93.06; 90 | 5120.33 | Williams, Morwen; Bertrand, Benoît; Hughes, David L.; Waller, Zoe Ann Ella; Schmidt, Claudia; Ott, Ingo; O'Connell, Maria Anne; Searcey, Mark; Bochmann, Manfred Cyclometallated Au(III) dithiocarbamate complexes: synthesis, anticancer evaluation and mechanistic studies. Metallomics, 2018 |
| 1549966 | CIF HKL Paper | C30 H24 N4 O2 S | C 1 2/c 1 | 18.6131; 18.2243; 15.8867 90; 110.757; 90 | 5039.2 | Muthuselvi, C.; Athimoolam, S.; Srinivasan, N.; Ravikumar, B.; Pandiarajan, S.; Krishnakumar, R. V. Ethyl 6'-cyano-7'-phenyl-1',6',7',7a'-tetrahydro-3'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,5'-pyrrolo[1,2-<i>c</i>]thiazole-6'-carboxylate IUCrData, 2018, 3, x181286 |
| 1549967 | CIF | C22 H19 N5 | P 1 21/n 1 | 6.8768; 15.854; 16.6138 90; 91.265; 90 | 1810.87 | Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging. Chemical science, 2018, 9, 8969-8974 |
| 1549968 | CIF | C23 H18 N5 O | P 1 21/c 1 | 11.7851; 19.9797; 8.1892 90; 97.235; 90 | 1912.9 | Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging. Chemical science, 2018, 9, 8969-8974 |
| 1549969 | CIF | C23 H18 N6 | P -1 | 8.038; 10.3402; 11.9954 73.536; 81.046; 84.939 | 943.44 | Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging. Chemical science, 2018, 9, 8969-8974 |
| 1549970 | CIF | C23 H18 F3 N5 | P 1 21/c 1 | 13.8657; 8.21008; 18.9838 90; 111.052; 90 | 2016.85 | Shi, Lei; Li, Kun; Li, Ling-Ling; Chen, Shan-Yong; Li, Meng-Yang; Zhou, Qian; Wang, Nan; Yu, Xiao-Qi Novel easily available purine-based AIEgens with colour tunability and applications in lipid droplet imaging. Chemical science, 2018, 9, 8969-8974 |
| 1549971 | CIF | C38 H63 Cl2 Co N5 O8 S3 | P -1 | 8.8767; 14.5893; 19.0022 107.139; 97.232; 101.356 | 2260.7 | Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R. Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules. Chemical science, 2018, 9, 9018-9026 |
| 1549972 | CIF | C37 H57 Co N5 O6 S3 | P 1 21/n 1 | 21.1512; 9.0244; 21.2686 90; 95.072; 90 | 4043.8 | Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R. Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules. Chemical science, 2018, 9, 9018-9026 |
| 1549973 | CIF | C37 H57 N5 Ni O6 S3 | P 1 21/n 1 | 21.0944; 8.9422; 21.3506 90; 94.977; 90 | 4012.2 | Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R. Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules. Chemical science, 2018, 9, 9018-9026 |
| 1549974 | CIF | C39 H66 N5 Ni O8.5 S3 | P -1 | 8.9571; 14.5969; 18.6587 107.64; 99.252; 103.157 | 2193.3 | Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R. Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules. Chemical science, 2018, 9, 9018-9026 |
| 1549975 | CIF | C37 H57 Fe N5 O6 S3 | P 1 21/n 1 | 21.195; 9.0313; 21.2797 90; 94.91; 90 | 4058.4 | Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R. Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules. Chemical science, 2018, 9, 9018-9026 |
| 1549976 | CIF | C37 H59 Fe N5 O7 S3 | C 1 2/c 1 | 26.656; 9.6645; 31.5226 90; 90.44; 90 | 8120.5 | Schulte, Kelsey A.; Vignesh, Kuduva R.; Dunbar, Kim R. Effects of coordination sphere on unusually large zero field splitting and slow magnetic relaxation in trigonally symmetric molecules. Chemical science, 2018, 9, 9018-9026 |
| 1549977 | CIF | C192 H288 Ag51.08 O0 | P -1 | 19.4375; 19.5121; 19.5367 100.446; 113.716; 102.272 | 6327.2 | Duan, Guang-Xiong; Tian, Lin; Wen, Jun-Bo; Li, Lan-Yun; Xie, Yun-Peng; Lu, Xing An atomically precise all-tert-butylethynide-protected Ag<sub>51</sub> superatom nanocluster with color tunability. Nanoscale, 2018, 10, 18915-18919 |
| 1549978 | CIF HKL Paper | C15 H9 F O3 | P 1 21/c 1 | 22.3701; 6.8836; 15.7987 90; 106.058; 90 | 2337.88 | Koh, Dongsoo 2-(2-Fluorophenyl)-3-hydroxy-4<i>H</i>-chromen-4-one IUCrData, 2018, 3, x181332 |
| 1549979 | CIF HKL Paper | C8 H12 N2 O8 | C 1 2/c 1 | 16.805; 8.3008; 15.7976 90; 100.259; 90 | 2168.5 | Seidel, Rüdiger W. Revision of the crystal structure of `bis(glycine) squaric acid' IUCrData, 2018, 3, x181324 |
| 1549980 | CIF HKL Paper | C18 H14 O2 S | P 1 21/n 1 | 13.0062; 5.9631; 18.3801 90; 104.019; 90 | 1383.05 | Hemanathan, K.; Raja, R.; Murugesan, K. Sakthi 8,9-Dimethoxybenzo[<i>b</i>]naphtho[2,3-<i>d</i>]thiophene IUCrData, 2018, 3, x181257 |
| 1549981 | CIF HKL Paper | C27 H22 N4 O2 | P 1 21/c 1 | 8.0233; 16.877; 17.013 90; 101.021; 90 | 2261.2 | Liu, Gang; Liu, Qingsong; Zhang, Huihui; Yu, Jianhua 2-(4-Aminophenyl)-3-[3,4-bis(pyridin-2-ylmethoxy)phenyl]acrylonitrile IUCrData, 2018, 3, x181329 |
| 1549982 | CIF HKL Paper | C13 H16 N4 O2 | P 1 21/n 1 | 9.069; 13.319; 11.851 90; 112.161; 90 | 1325.7 | Lahmidi, Sanae; El Hafi, Mohamed; Moussaif, Ahmed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T. Ethyl 2-(5-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)pent-4-enoate IUCrData, 2018, 3, x181280 |
| 1549983 | CIF HKL Paper | C17 H19 N O5 | P 1 21/c 1 | 8.462; 16.243; 11.477 90; 93.091; 90 | 1575.2 | Wang, Junjun; Zhu, Yin; Wang, Haiyan; Yang, Mingdi 3-Acetyl-7-(2-morpholin-4-yl-ethoxy)-chromen-2-one IUCrData, 2018, 3, x181327 |
| 1549984 | CIF | C35 H32 N2 O4 | P -1 | 10.1174; 10.6043; 14.0472 83.956; 72.182; 87.318 | 1426.66 | Emandi, Ganapathi; Flanagan, Keith J.; Senge, Mathias O. Fluorescent imidazole-based chemosensors for the reversible detection of cyanide and mercury ions. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 1450-1461 |
| 1549985 | CIF | C35 H34 N2 O5 S | P 1 21/c 1 | 9.5779; 29.6464; 10.7257 90; 92.205; 90 | 3043.31 | Emandi, Ganapathi; Flanagan, Keith J.; Senge, Mathias O. Fluorescent imidazole-based chemosensors for the reversible detection of cyanide and mercury ions. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2018, 17, 1450-1461 |
| 1549986 | CIF | C Cs3 O8 V | C 1 m 1 | 9.447; 10.129; 6.1571 90; 123.42; 90 | 491.7 | Zou, Guohong; Lin, Zhien; Zeng, Hongmei; Jo, Hongil; Lim, Seong-Ji; You, Tae-Soo; Ok, Kang Min Cs<sub>3</sub>VO(O<sub>2</sub>)<sub>2</sub>CO<sub>3</sub>: an exceptionally thermostable carbonatoperoxovanadate with an extremely large second-harmonic generation response. Chemical science, 2018, 9, 8957-8961 |
| 1549987 | CIF HKL Paper | C17 H18 O2 | P -1 | 7.841; 8.203; 11.08 79.131; 85.616; 74.077 | 672.8 | Goyal, Navneet; Donahue, James P.; Do, Camilla; Perry, Timothy; Bongay-Williams, Kyla; Foroozesh, Maryam A dibenzofuran derivative: 2-(pentyloxy)dibenzo[<i>b</i>,<i>d</i>]furan IUCrData, 2018, 3, x181306 |
| 1549988 | CIF HKL Paper | C21 H15 N3 O3 | P 1 21/c 1 | 10.1759; 23.521; 7.4038 90; 95.674; 90 | 1763.4 | Rao, Qingpeng; Wang, Zepeng; Yang, Mingdi; Wu, Zhichao (<i>Z</i>)-2-(4-Nitrophenyl)-3-[4-(pyridin-4-ylmethoxy)phenyl]acrylonitrile IUCrData, 2018, 3, x181328 |
| 1549989 | CIF HKL Paper | C11 H11 N3 O4 | P -1 | 10.1251; 11.1335; 15.9006 102.745; 101.1; 101.52 | 1659.74 | Marten, Jan; Seichter, Wilhelm; Weber, Edwin 3-[2-(3-Nitrophenyl)hydrazin-1-ylidene]pentane-2,4-dione IUCrData, 2018, 3, x181344 |
| 1549990 | CIF | O7 Sm3 Ta | P n m a | 7.6514; 10.8663; 7.5886 90; 90; 90 | 630.93 | Hinatsu, Y.; Doi, Y. Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with fluorite-related structure : structure at 1473 K Journal of the Ceramic Society of Japan, 2018, 126, 743-749 |
| 1549991 | CIF | O7 Sm3 Ta | C 2 2 21 | 10.7818; 7.6197; 7.6556 90; 90; 90 | 628.94 | Hinatsu, Y.; Doi, Y. Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with fluorite-related structure : structure at 1073 K Journal of the Ceramic Society of Japan, 2018, 126, 743-749 |
| 1549992 | CIF | Eu0.6 Nb O7 Sm2.4 | C 2 2 21 | 10.7488; 7.6036; 7.6521 90; 90; 90 | 625.4 | Hinatsu, Y.; Doi, Y. Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with fluorite-related structure : structure at 973 K Journal of the Ceramic Society of Japan, 2018, 126, 743-749 |
| 1549993 | CIF | Eu0.6 Nb O7 Sm2.4 | P n m a | 7.6451; 10.8612; 7.5613 90; 90; 90 | 627.85 | Hinatsu, Y.; Doi, Y. Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with fluorite-related structure : structure at 1473 K Journal of the Ceramic Society of Japan, 2018, 126, 743-749 |
| 1549994 | CIF | Ba0.333 Co O2.98 Pr0.667 | P n m a | 5.443765; 7.693164; 5.452008 90; 90; 90 | 228.329 | Zhang, W.; Shiraiwa, M.; Wang, N.; Ma, T.; Fujii, K.; Niwa, E.; Yashima, M. Pr/Ba cation-disordered perovskite Pr2/3Ba1/3CoO3-d as a new bifunctional electrocatalyst for oxygen reduction and oxygen evolution reactions Journal of the Ceramic Society of Japan, 2018, 126, 814-819 |
| 1549995 | CIF | C58 H46 O | P 1 21/c 1 | 11.9262; 37.245; 9.5161 90; 102.531; 90 | 4126.3 | Hsu, Li-Yun; Maity, Subhendu; Matsunaga, Yuki; Hsu, Ying-Feng; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane Photomechanochromic <i>vs.</i> mechanochromic fluorescence of a unichromophoric bimodal molecular solid: multicolour fluorescence patterning. Chemical science, 2018, 9, 8990-9001 |
| 1549996 | CIF | C58 H46 O | P 1 21/c 1 | 11.7855; 9.0557; 38.491 90; 97.711; 90 | 4070.8 | Hsu, Li-Yun; Maity, Subhendu; Matsunaga, Yuki; Hsu, Ying-Feng; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane Photomechanochromic <i>vs.</i> mechanochromic fluorescence of a unichromophoric bimodal molecular solid: multicolour fluorescence patterning. Chemical science, 2018, 9, 8990-9001 |
| 1549997 | CIF | C58 H46 O | P 1 21/c 1 | 11.8126; 9.1189; 38.869 90; 98.321; 90 | 4142.8 | Hsu, Li-Yun; Maity, Subhendu; Matsunaga, Yuki; Hsu, Ying-Feng; Liu, Yi-Hung; Peng, Shie-Ming; Shinmyozu, Teruo; Yang, Jye-Shane Photomechanochromic <i>vs.</i> mechanochromic fluorescence of a unichromophoric bimodal molecular solid: multicolour fluorescence patterning. Chemical science, 2018, 9, 8990-9001 |
| 1549998 | CIF | C16 H104 Mn Mo12 N16 O74 P8 | P 1 21/n 1 | 15.8641; 15.937; 17.1695 90; 92.645; 90 | 4336.3 | Su, Zhong-Min; Xie, Shuai-Lei; Liu, Jiang; Dong, Long-Zhang; Li, Shun-Li; Lan, Ya-Qian Hetero-metallic Active Sites Coupled with Strong Reductive Polyoxometalate for Selectively Photocatalytic CO2-to-CH4 Conversion in Water Chemical Science, 2018 |
| 1549999 | CIF | K16 Mn40 Mo96 Na8 O560 P68 | I 41/a c d | 27.4698; 27.4698; 39.881 90; 90; 90 | 30094 | Su, Zhong-Min; Xie, Shuai-Lei; Liu, Jiang; Dong, Long-Zhang; Li, Shun-Li; Lan, Ya-Qian Hetero-metallic Active Sites Coupled with Strong Reductive Polyoxometalate for Selectively Photocatalytic CO2-to-CH4 Conversion in Water Chemical Science, 2018 |
| 1550000 | CIF | Co10 Mn30 Mo96 Na24 O576 P68 | I 41/a c d | 26.9679; 26.9679; 41.154 90; 90; 90 | 29930 | Su, Zhong-Min; Xie, Shuai-Lei; Liu, Jiang; Dong, Long-Zhang; Li, Shun-Li; Lan, Ya-Qian Hetero-metallic Active Sites Coupled with Strong Reductive Polyoxometalate for Selectively Photocatalytic CO2-to-CH4 Conversion in Water Chemical Science, 2018 |
| 1550001 | CIF | C57 Al F45 O3 | P -1 | 13.5287; 14.9354; 15.4422 87.648; 65.253; 71.914 | 2679.32 | Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid. Chemical science, 2018, 9, 8178-8183 |
| 1550002 | CIF | C61 H8 Al F46 O4 Tl | P -1 | 12.8874; 13.362; 19.1533 81.244; 86.346; 65.335 | 2962.37 | Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid. Chemical science, 2018, 9, 8178-8183 |
| 1550003 | CIF | C77 H17 Al Cl2 F46 O3 | P -1 | 11.872; 13.5786; 22.6501 83.441; 84.275; 85.147 | 3599.41 | Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid. Chemical science, 2018, 9, 8178-8183 |
| 1550004 | CIF | C67 H10 Al F46 Fe O3 | P 1 | 11.6429; 11.6834; 12.0655 97.981; 101.382; 98.8 | 1565.64 | Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid. Chemical science, 2018, 9, 8178-8183 |
| 1550005 | CIF | C68 H16 Al F45 O4 | P -1 | 12.9745; 14.9114; 32.7214 84.388; 88.756; 88.372 | 6296.5 | Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid. Chemical science, 2018, 9, 8178-8183 |
| 1550006 | CIF | C68 H18 Al F45 O4 | P -1 | 12.473; 12.4862; 24.3363 92.264; 102.069; 109.518 | 3468.7 | Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid. Chemical science, 2018, 9, 8178-8183 |
| 1550007 | CIF | C65 H20 Al F46 Li O5 | P 1 21/n 1 | 13.5375; 24.2062; 20.9262 90; 104.02; 90 | 6653.1 | Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid. Chemical science, 2018, 9, 8178-8183 |
| 1550008 | CIF | C73 H32 Al Cs F46 O7 | P -1 | 13.4499; 13.5054; 44.2327 98.198; 92.575; 90.287 | 7944 | Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid. Chemical science, 2018, 9, 8178-8183 |
| 1550009 | CIF | C66 H11 Al F45 N O3 | P -1 | 13.2289; 14.1466; 17.4224 86.299; 85.794; 67.503 | 3001.9 | Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid. Chemical science, 2018, 9, 8178-8183 |
| 1550010 | CIF | C63 H15 Al F45 O4 P | P 1 21/c 1 | 24.8884; 23.4948; 22.4273 90; 105.82; 90 | 12617.6 | Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid. Chemical science, 2018, 9, 8178-8183 |
| 1550011 | CIF | C76 H15 Al Cl F45 O3 | P -1 | 13.8546; 14.2421; 20.1247 94.513; 96.029; 119.026 | 3414.42 | Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid. Chemical science, 2018, 9, 8178-8183 |
| 1550012 | CIF | C73 H36 Al F46 N O3 | P -1 | 13.3297; 14.3059; 22.5568 71.867; 75.445; 63.622 | 3629.8 | Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid. Chemical science, 2018, 9, 8178-8183 |
| 1550013 | CIF | C63 H13 Ag Al F46 N O4 | P 1 21/c 1 | 11.7732; 24.2075; 21.9598 90; 90.568; 90 | 6258.2 | Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid. Chemical science, 2018, 9, 8178-8183 |
| 1550014 | CIF | C62 H5 Al F45 N O3 | P -1 | 22.4236; 24.0454; 29.527 91.684; 111.56; 98.389 | 14588.4 | Kögel, Julius F; Timoshkin, Alexey Y.; Schröder, Artem; Lork, Enno; Beckmann, Jens Al(OCArF3)<sub>3</sub> - a thermally stable Lewis superacid. Chemical science, 2018, 9, 8178-8183 |
| 1550015 | CIF | C16 F6 N4 | R -3 :H | 17.533; 17.533; 11.484 90; 90; 120 | 3057.3 | Li, Jing; Duchemin, Ivan; Roscioni, Otello Maria; Friederich, Pascal; Anderson, Marie; Da Como, Enrico; Kociok-Köhn, Gabriele; Wenzel, Wolfgang; Zannoni, Claudio; Beljonne, David; Blase, Xavier; D'Avino, Gabriele Host dependence of the electron affinity of molecular dopants Materials Horizons, 2019, 6, 107 |
| 1550016 | CIF | Al O4 P | P 1 2/a 1 | 8.7802; 4.9087; 10.9191 90; 90.33; 90 | 470.599 | Kanzaki, M. Temperature-induced phase transition of AlPO4-moganite studies by in-situ Raman spectroscopy : alpha phase model optimized by DFT Journal of Mineralogical and Petrological Sciences, 2018, 113, 126-134 |
| 1550017 | CIF | Al O4 P | P m a a | 9.0682; 4.8904; 10.9793 90; 90; 90 | 486.9 | Kanzaki, M. Temperature-induced phase transition of AlPO4-moganite studies by in-situ Raman spectroscopy : beta phase model optimized by DFT Journal of Mineralogical and Petrological Sciences, 2018, 113, 126-134 |
| 1550018 | CIF | C23 H24 Cl F Ir N | P -1 | 9.2681; 10.4733; 10.8722 82.9875; 85.2833; 74.7986 | 1009.4 | Chen, Xiao-Yang; Sorensen, Erik J. Ir(iii)-catalyzed <i>ortho</i> C-H alkylations of (hetero)aromatic aldehydes using alkyl boron reagents. Chemical science, 2018, 9, 8951-8956 |
| 1550019 | CIF | C38 H23 N3 O26 S8 | P 1 n 1 | 11.0583; 10.7138; 21.6433 90; 91.862; 90 | 2562.87 | Jeamet, Emeric; Septavaux, Jean; Héloin, Alexandre; Donnier-Maréchal, Marion; Dumartin, Melissa; OURRI, Benjamin; Mandal, Pradeep Kumar; Huc, Ivan; Bignon, Emmanuelle; Dumont, Elise; Morell, Christophe; Francoia, Jean-Patrick; PERRET, Florent; Vial, Laurent; Leclaire, Julien Wetting the lock and key enthalpically favours polyelectrolytes binding Chemical Science, 2018 |
| 1550020 | CIF | C25 H19 N O2 S | P 1 21/c 1 | 13.4762; 15.1134; 10.0992 90; 107.105; 90 | 1965.93 | Mao, Zhu; Yang, Zhan; Fan, Zhenguo; Ubba, Eethamukkala; Li, Wenlang; Li, Yang; Zhao, Juan; Yang, Zhiyong; Aldred, Matthew Phillip; Chi, Zhenguo Methylation-effect in Prolonging the Pure Organic Room Temperature Phosphorescence Lifetime Chemical Science, 2018 |
| 1550021 | CIF | C27 H23 N O2 S | C 1 2/c 1 | 21.0963; 12.9096; 15.8774 90; 101.148; 90 | 4242.5 | Mao, Zhu; Yang, Zhan; Fan, Zhenguo; Ubba, Eethamukkala; Li, Wenlang; Li, Yang; Zhao, Juan; Yang, Zhiyong; Aldred, Matthew Phillip; Chi, Zhenguo Methylation-effect in Prolonging the Pure Organic Room Temperature Phosphorescence Lifetime Chemical Science, 2018 |
| 1550022 | CIF | C6 H6 N2 O2 | P 1 21/n 1 | 5.2532; 5.321; 10.9671 90; 101.974; 90 | 299.89 | Sieuw, Louis; Jouhara, Alia; Quarez, Eric; Auger, Chloe; Gohy, Jean-François; Poizot, Philippe; Vlad, Alexandru H-bond Stabilized Quinone Electrode Material for Li-Organic Batteries: the Strength of Weak Bonds Chemical Science, 2018 |
| 1550023 | CIF | C55 H78 Cl2 F6 Ir N8 P | P 1 21/c 1 | 15.8369; 16.9326; 21.2999 90; 97.044; 90 | 5668.7 | Lam, Tsz Lung; Ka Chung, Tong; Yang, Chen; Kwong, Wai-Lun; Guan, Xiangguo; Li, Ming-De; Lo, Vanessa Kar-Yan; Chan, Sharon Lai-Fung; Phillips, David Lee; Lok, Chun-Nam; Che, Chi-Ming Luminescent ruffled iridium(III) porphyrin complexes containing N-heterocyclic carbene ligands: structures, spectroscopies and potent antitumor activities under dark and light irradiation conditions Chemical Science, 2018 |
| 1550024 | CIF | C54.25 H24 F20.75 Ir N8 O0.75 S0.25 | P 1 21/c 1 | 24.7628; 23.6873; 39.6486 90; 95.9405; 90 | 23131.5 | Lam, Tsz Lung; Ka Chung, Tong; Yang, Chen; Kwong, Wai-Lun; Guan, Xiangguo; Li, Ming-De; Lo, Vanessa Kar-Yan; Chan, Sharon Lai-Fung; Phillips, David Lee; Lok, Chun-Nam; Che, Chi-Ming Luminescent ruffled iridium(III) porphyrin complexes containing N-heterocyclic carbene ligands: structures, spectroscopies and potent antitumor activities under dark and light irradiation conditions Chemical Science, 2018 |
| 1550025 | CIF | C54 H64 F6 Ir N8 P | C 1 2/c 1 | 17.9784; 15.124; 19.0318 90; 108.004; 90 | 4921.5 | Lam, Tsz Lung; Ka Chung, Tong; Yang, Chen; Kwong, Wai-Lun; Guan, Xiangguo; Li, Ming-De; Lo, Vanessa Kar-Yan; Chan, Sharon Lai-Fung; Phillips, David Lee; Lok, Chun-Nam; Che, Chi-Ming Luminescent ruffled iridium(III) porphyrin complexes containing N-heterocyclic carbene ligands: structures, spectroscopies and potent antitumor activities under dark and light irradiation conditions Chemical Science, 2018 |
| 1550026 | CIF | C58.12 H52.25 Cl0.25 F6 Ir N8 P | P -1 | 12.7322; 16.8417; 26.2843 77.893; 84.194; 78.728 | 5393.9 | Lam, Tsz Lung; Ka Chung, Tong; Yang, Chen; Kwong, Wai-Lun; Guan, Xiangguo; Li, Ming-De; Lo, Vanessa Kar-Yan; Chan, Sharon Lai-Fung; Phillips, David Lee; Lok, Chun-Nam; Che, Chi-Ming Luminescent ruffled iridium(III) porphyrin complexes containing N-heterocyclic carbene ligands: structures, spectroscopies and potent antitumor activities under dark and light irradiation conditions Chemical Science, 2018 |
| 1550027 | CIF HKL Paper | C21.5 H20.5 Br N6.5 O0.5 S | P -1 | 9.9957; 14.5325; 15.8353 81.671; 81.344; 80.469 | 2225.6 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M. 5-[(4-Bromophenyl)diazenyl]-2-{2-[1-(1<i>H</i>-indol-3-yl)ethylidene]hydrazinyl}-4-methylthiazole dimethylformamide hemisolvate IUCrData, 2018, 3, x181378 |
| 1550028 | CIF HKL Paper | C17 H17 N5 O S | P -1 | 9.0292; 9.864; 10.8754 111.021; 105.103; 96.945 | 847.86 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M. 5-Methyl-1-(4-methylphenyl)-N′-[1-(thiophen-2-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide IUCrData, 2018, 3, x181379 |
| 1550029 | CIF | C14 H22 N2 O | P n a 21 | 23.0581; 16.6608; 15.1185 90; 90; 90 | 5808 | Peveler, William J.; Packman, Hollie; Alexander, Shirin; Chauhan, Raamanand R.; Hayes, Lilian M.; Macdonald, Thomas J.; Cockcroft, Jeremy K.; Rogers, Sarah; Aarts, Dirk G. A. L.; Carmalt, Claire J.; Parkin, Ivan P.; Bear, Joseph C. A new family of urea-based low molecular-weight organogelators for environmental remediation: the influence of structure. Soft matter, 2018, 14, 8821-8827 |
| 1550030 | CIF | C14 H22 N2 O | P 1 21/c 1 | 12.9354; 11.92; 27.3126 90; 93.311; 90 | 4204.3 | Peveler, William J.; Packman, Hollie; Alexander, Shirin; Chauhan, Raamanand R.; Hayes, Lilian M.; Macdonald, Thomas J.; Cockcroft, Jeremy K.; Rogers, Sarah; Aarts, Dirk G. A. L.; Carmalt, Claire J.; Parkin, Ivan P.; Bear, Joseph C. A new family of urea-based low molecular-weight organogelators for environmental remediation: the influence of structure. Soft matter, 2018, 14, 8821-8827 |
| 1550031 | CIF | C17 H28 N2 O | P 21 21 21 | 8.8209; 19.6496; 20.2318 90; 90; 90 | 3506.72 | Peveler, William J.; Packman, Hollie; Alexander, Shirin; Chauhan, Raamanand R.; Hayes, Lilian M.; Macdonald, Thomas J.; Cockcroft, Jeremy K.; Rogers, Sarah; Aarts, Dirk G. A. L.; Carmalt, Claire J.; Parkin, Ivan P.; Bear, Joseph C. A new family of urea-based low molecular-weight organogelators for environmental remediation: the influence of structure. Soft matter, 2018, 14, 8821-8827 |
| 1550032 | CIF | C34 H13 F28 N4 O Zn | P -1 | 13.983; 16.9424; 19.1273 77.146; 74.236; 75.997 | 4171.3 | Sadhu, Subha; Aqueche, Kyler; Buffeteau, Thierry; Vincent, Jean-Marc; Hirsch, Lionel; Bassani, Dario M. Unexpected surface interactions between fluorocarbons and hybrid organic inorganic perovskites evidenced by PM-IRRAS and their application towards tuning the surface potential Materials Horizons, 2019, 6, 192 |
| 1550033 | CIF | C37 H46 B Cl2 Cu F4 N8 | P 1 21/c 1 | 20.808; 31.071; 12.2164 90; 90.694; 90 | 7897.6 | Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies Catalysis Science & Technology, 2018, 8, 5763 |
| 1550034 | CIF | C33.5 H41 Cl Cu F3 N4 O3 S | P 1 21/n 1 | 12.3905; 19.0233; 14.481 90; 102.996; 90 | 3325.86 | Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies Catalysis Science & Technology, 2018, 8, 5763 |
| 1550035 | CIF | C37 H44 Cu F3 N4 O3 S | P -1 | 9.1002; 10.9858; 19.3481 89.693; 79.192; 82.793 | 1884.64 | Zelenay, Benjamin; Besora, Maria; Monasterio, Zaira; Ventura-Espinosa, David; White, Andrew J. P.; Maseras, Feliu; Díez-González, Silvia Copper-mediated reduction of azides under seemingly oxidising conditions: catalytic and computational studies Catalysis Science & Technology, 2018, 8, 5763 |
| 1550036 | CIF | C55 H95 Co Li Mn O10 | P -1 | 11.581; 20.328; 27.709 68.687; 88.434; 80.525 | 5990.4 | Han, Haixiang; Wei, Zheng; Filatov, Alexander S.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Shevtsov, Andrey; Abakumov, Artem; Pak, Chongin; Shatruk, Michael; Chen, Yu-Sheng; Dikarev, Evgeny V. Three to Tango Requires a Site-Specific Substitution: Heterotrimetallic Molecular Precursors for High-Voltage Rechargeable Batteries Chemical Science, 2019 |
| 1550037 | CIF | C55 H95 Co0.5 Li Mn1.5 O10 | P -1 | 11.5679; 20.2647; 27.742 68.6974; 88.552; 80.5081 | 5971.7 | Han, Haixiang; Wei, Zheng; Filatov, Alexander S.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Shevtsov, Andrey; Abakumov, Artem; Pak, Chongin; Shatruk, Michael; Chen, Yu-Sheng; Dikarev, Evgeny V. Three to Tango Requires a Site-Specific Substitution: Heterotrimetallic Molecular Precursors for High-Voltage Rechargeable Batteries Chemical Science, 2019 |
| 1550038 | CIF | C12 H14 F N O3 | P 21 21 21 | 8.9101; 9.4553; 14.4099 90; 90; 90 | 1214 | Guan, Yu-Qing; Han, Zhengyu; Li, Xiuxiu; You, Cai; Tan, Xuefeng; Lv, Hui; Zhang, Xumu A cheap metal for a challenging task: nickel-catalyzed highly diastereo- and enantioselective hydrogenation of tetrasubstituted fluorinated enamides Chemical Science, 2018 |
| 1550039 | CIF | C27 H41 Cr N8 O9 | C 1 2/c 1 | 30.214; 10.381; 23.797 90; 113.791; 90 | 6830 | Seo, Junghee; Cabelof, Alyssa; Chen, Chun-Hsing; Caulton, Kenneth G. Selective Deoxygenation of Nitrate to Nitrosyl using Trivalent Chromium and the Mashima Reagent: Reductive Silylation Chemical Science, 2019 |
| 1550040 | CIF | C138 H148 Br8 Cl4 N12 Zn2 | P -1 | 17.6822; 17.7483; 25.194 78.121; 77.607; 60.899 | 6699.7 | Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G. Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters. Chemical communications (Cambridge, England), 2018, 54, 12586-12589 |
| 1550041 | CIF | C33 H42 Cl10 N4 | C 1 2/c 1 | 16.0787; 21.553; 24.176 90; 94.498; 90 | 8352.2 | Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G. Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters. Chemical communications (Cambridge, England), 2018, 54, 12586-12589 |
| 1550042 | CIF | C64 H80 Cl12 N8 Zn2 | P b c a | 21.712; 13.037; 54.215 90; 90; 90 | 15346 | Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G. Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters. Chemical communications (Cambridge, England), 2018, 54, 12586-12589 |
| 1550043 | CIF | C74 H102 Cl28 N8 | P -1 | 12.838; 15.476; 27.491 98.93; 92.92; 110.32 | 5027 | Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G. Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters. Chemical communications (Cambridge, England), 2018, 54, 12586-12589 |
| 1550044 | CIF | C22 H26 I Ir N4 | P -1 | 8.5611; 10.9802; 13.2254 109.051; 102.4; 90.413 | 1143.69 | Semwal, Shrivats; Kumar, Abhishek; Choudhury, Joyanta Iridium‒NHC-based catalyst for ambient pressure storage and low temperature release of H2via the CO2/HCO2H couple Catalysis Science & Technology, 2018, 8, 6137 |
| 1550045 | CIF | C268 H484 Ag80 F48 Mo16 N8 O120 S52 | P 1 21/n 1 | 25.1615; 30.4928; 32.0095 90; 90.675; 90 | 24557.4 | SU, Yanmin; Wang, Zhi; Zhuang, Gui-lin; Zhao, Quanqin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di Unusual fcc-Structured Ag10 Kernel Trapped in Ag70 Nanocluster Chemical Science, 2019 |
| 1550046 | CIF | C142 H294 Ag80 F48 Mo16 N6 O114 S52 | P -1 | 21.9533; 22.169; 22.999 111.88; 109.228; 92.0299 | 9646.4 | SU, Yanmin; Wang, Zhi; Zhuang, Gui-lin; Zhao, Quanqin; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di Unusual fcc-Structured Ag10 Kernel Trapped in Ag70 Nanocluster Chemical Science, 2019 |
| 1550047 | CIF | C64 H70 B Dy F20 | P 1 21/n 1 | 15.2173; 22.8792; 16.8807 90; 90.605; 90 | 5876.9 | Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G. High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets. Chemical science, 2018, 9, 8492-8503 |
| 1550048 | CIF | C62 H66 B Dy F20 | P 1 21/n 1 | 14.9801; 23.0586; 16.7069 90; 90.789; 90 | 5770.4 | Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G. High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets. Chemical science, 2018, 9, 8492-8503 |
| 1550049 | CIF | C58 H58 B Dy F20 | P 1 21 1 | 16.5863; 14.4989; 22.708 90; 90.0586; 90 | 5460.9 | Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G. High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets. Chemical science, 2018, 9, 8492-8503 |
| 1550050 | CIF | C60 H62 B Dy F20 | P 1 21/c 1 | 14.5; 16.63; 46.59 90; 90.027; 90 | 11234 | Randall McClain, K.; Gould, Colin A.; Chakarawet, Khetpakorn; Teat, Simon J.; Groshens, Thomas J.; Long, Jeffrey R.; Harvey, Benjamin G. High-temperature magnetic blocking and magneto-structural correlations in a series of dysprosium(iii) metallocenium single-molecule magnets. Chemical science, 2018, 9, 8492-8503 |
| 1550051 | CIF | C18 H23 N5 O | P 1 21/n 1 | 8.8828; 19.2484; 10.8095 90; 113.471; 90 | 1695.3 | Choi, Yoona; Kim, Heejun; Park, Seung Bum Divergent Synthetic Pathway for Pyrimidine-Embedded Medium-Sized Azacycles through N-quaternizing Strategy Chemical Science, 2019 |
| 1550052 | CIF | C17 H22 N5 O | P -1 | 9.7756; 12.9665; 12.9912 84.4412; 86.9004; 84.193 | 1628.9 | Choi, Yoona; Kim, Heejun; Park, Seung Bum Divergent Synthetic Pathway for Pyrimidine-Embedded Medium-Sized Azacycles through N-quaternizing Strategy Chemical Science, 2019 |
| 1550053 | CIF | C50 H84 N2 O8 V | C 1 2/c 1 | 12.8268; 21.9164; 17.7812 90; 99.648; 90 | 4927.9 | Lin, Chun-Yi; Ngendahimana, Thacien; Eaton, Gareth; Eaton, Sandra S.; Zadrozny, Joseph Counterion Influence on Dynamic Spin Properties in a V(IV) Complex Chemical Science, 2019 |
| 1550054 | CIF | C54 H92 N2 O6 V | C 1 c 1 | 21.013; 23.356; 15.4 90; 132.546; 90 | 5568 | Lin, Chun-Yi; Ngendahimana, Thacien; Eaton, Gareth; Eaton, Sandra S.; Zadrozny, Joseph Counterion Influence on Dynamic Spin Properties in a V(IV) Complex Chemical Science, 2019 |
| 1550055 | CIF | C36 H58 N4 O2 Zn | P 1 21/n 1 | 17.3189; 12.4391; 17.5819 90; 104.339; 90 | 3669.7 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550056 | CIF | C22 H30 N4 O2 Zn | P -4 21 c | 24.0631; 24.0631; 7.4652 90; 90; 90 | 4322.6 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550057 | CIF | C25.5 H30 Cl4 Mg N4 O2 | C 1 2/c 1 | 39.731; 11.9213; 23.8229 90; 99.266; 90 | 11136.4 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550058 | CIF | C23.5 H30 N4 O2 Zn | P 1 21 1 | 12.093; 14.8544; 13.2064 90; 105.887; 90 | 2281.7 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550059 | CIF | C38 H62 Mg N4 O2 | I 1 2/a 1 | 17.113; 15.0517; 29.9562 90; 90.872; 90 | 7715.22 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550060 | CIF | C36 H58 Mg N4 O2 | P 1 21/c 1 | 19.8993; 14.4435; 25.6572 90; 92.143; 90 | 7369.12 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550061 | CIF | C54 H84 N4 O2 Zn | P 1 21/n 1 | 13.4614; 11.975; 31.039 90; 90.965; 90 | 5002.8 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550062 | CIF | C47 H52 Cl8 N8 O4 Zn2 | P -1 | 11.3788; 11.6856; 21.1747 105.712; 94.301; 104.647 | 2590.97 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550063 | CIF | C38 H62 N4 O2 Zn | I 1 2/a 1 | 17.0865; 15.0333; 30.0246 90; 91.193; 90 | 7710.6 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550064 | CIF | C40 H52 Mg2 N8 O4 | P 1 21/n 1 | 9.4092; 13.8925; 14.8093 90; 95.647; 90 | 1926.4 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550065 | CIF | C72 H92 N6 Si2 | P -1 | 10.4966; 12.3975; 13.2265 104.289; 99.208; 101.826 | 1591.78 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550066 | CIF | C156 H212 Co2 Gd2 N8 O18 P6 Si2 | P -1 | 10.3106; 14.6582; 27.9536 75.075; 86.248; 70.983 | 3858.64 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550067 | CIF | C70 H94 N4 Si2 | P -1 | 10.741; 11.0043; 15.1711 69.405; 70.878; 76.429 | 1571.4 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550068 | CIF | C87 H127 Co Gd N4 O9 P3 Si2 | C 1 c 1 | 16.25392; 38.80173; 16.36512 90; 119.106; 90 | 9017.85 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550069 | CIF | C87 H127 Co N4 O9 P3 Si2 Y | P 1 21/c 1 | 18.266; 14.9061; 33.9132 90; 104.455; 90 | 8941.4 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550070 | CIF | C74 H108 N4 O4 Si2 Zn | P 1 21/c 1 | 8.05199; 13.9466; 31.93 90; 90.63; 90 | 3585.45 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550071 | CIF | C78 H107 Co Dy N4 O9 P3 Si | P 1 21/c 1 | 19.34446; 39.8242; 20.5371 90; 90.4603; 90 | 15820.8 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550072 | CIF | C77.5 H96 Cl N7 Si2 Zn | P -1 | 13.171; 14.3764; 19.9456 90.736; 91.97; 108.933 | 3569.14 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550073 | CIF | C156 H212 Co2 N8 O18 P6 Si2 Tb2 | P -1 | 10.3082; 14.6723; 27.9524 75.061; 86.208; 71.139 | 3864.76 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550074 | CIF | C156 H212 Co2 Dy2 N8 O18 P6 Si2 | P -1 | 10.2534; 14.6267; 27.8407 75.0624; 86.2571; 71.1737 | 3817.71 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550075 | CIF | C87 H127 Co Dy N4 O9 P3 Si2 | P -1 | 16.1487; 19.0993; 30.5159 98.382; 92.063; 97.559 | 9215.9 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550076 | CIF | C88.5 H130 Cl3 Co N4 O9 P3 Si2 Tb | P 1 21/c 1 | 31.5498; 16.095; 19.4714 90; 107.306; 90 | 9439.85 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550077 | CIF | C89 H125 Co Dy N6 O9 P3 Si2 | P -1 | 16.1981; 23.3852; 25.473 73.821; 89.254; 86.965 | 9253.9 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550078 | CIF HKL Paper | C24 H23 N3 O2 | P -1 | 8.6962; 8.7349; 14.559 106.468; 92.949; 111.771 | 969.6 | Jouha, Jabrane; Loubidi, Mohamed; El Hafi, Mohamed; Tber, Zahira; Essassi, El Mokhtar; Mague, Joel T. Ethyl 4-(3,4,6-trimethyl-1-phenyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl)benzoate IUCrData, 2018, 3, x181449 |
| 1550079 | CIF HKL Paper | C11 H23 N10 O15 Sm | P 1 21/c 1 | 10.0164; 22.7494; 15.0848 90; 138.151; 90 | 2293.3 | Gioia, Michael; Crundwell, Guy; Westcott, Barry L. Tetraaqua[2,6-diacetylpyridine bis(semicarbazone)]samarium(III) trinitrate IUCrData, 2018, 3, x181454 |
| 1550080 | CIF HKL Paper | C18 H19 N O7 | P -1 | 4.9417; 7.6157; 23.4472 94.49; 92.997; 98.136 | 869.06 | Bouzian, Younos; Hlimi, Fouzia; kheira Sebbar, Nada; El Hafi, Mohamed; Hni, Brahim; Essassi, El Mokhtar; Mague, Joel T. Ethyl 2-{[2-(2-ethoxy-2-oxoethoxy)quinolin-4-yl]carbonyloxy}acetate IUCrData, 2018, 3, x181438 |
| 1550081 | CIF HKL Paper | C8 H20 Cl6 N2 Sn | C 1 2/m 1 | 16.3784; 7.3134; 7.1566 90; 91.205; 90 | 857.04 | Gotoh, Kazuma; Ishida, Hiroyuki Bis(pyrrolidinium) hexachloridostannate: a redetermination IUCrData, 2018, 3, x181397 |
| 1550082 | CIF HKL Paper | C19 H28 Cl N3 O5 | P 43 | 8.5308; 8.5308; 31.893 90; 90; 90 | 2321 | Rasheeda, Kedila; Samshuddin, Seranthimata; Swathi, Phadke N.; Alva, Vijaya D. P.; Mague, Joel T.; Ramli, Youssef Diethyl 4-(4-chloro-2-propyl-1<i>H</i>-imidazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate monohydrate IUCrData, 2018, 3, x181470 |
| 1550083 | CIF | C23 H22 O3 | P 1 21/c 1 | 13.7826; 9.2243; 15.0346 90; 111.733; 90 | 1775.56 | Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R. Shape-selective crystallisation of fluxional carbon cages. Chemical science, 2018, 9, 8631-8636 |
| 1550084 | CIF | C23 H22 O3 | P 1 21/c 1 | 13.8567; 9.2431; 15.1049 90; 111.846; 90 | 1795.69 | Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R. Shape-selective crystallisation of fluxional carbon cages. Chemical science, 2018, 9, 8631-8636 |
| 1550085 | CIF | C23 H22 O3 | P 1 21/c 1 | 13.9193; 9.2488; 15.1658 90; 111.938; 90 | 1811.02 | Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R. Shape-selective crystallisation of fluxional carbon cages. Chemical science, 2018, 9, 8631-8636 |
| 1550086 | CIF | C23 H22 O3 | P 1 21/c 1 | 13.5882; 9.2068; 14.8687 90; 111.294; 90 | 1733.14 | Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R. Shape-selective crystallisation of fluxional carbon cages. Chemical science, 2018, 9, 8631-8636 |
| 1550087 | CIF | C21 H16 F2 O | P 1 21/n 1 | 9.824; 6.304; 25.0331 90; 90.602; 90 | 1550.23 | Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R. Shape-selective crystallisation of fluxional carbon cages. Chemical science, 2018, 9, 8631-8636 |
| 1550088 | CIF | C22 H19 F O2 | P 1 21/c 1 | 18.848; 7.4991; 12.2152 90; 107.691; 90 | 1644.89 | Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R. Shape-selective crystallisation of fluxional carbon cages. Chemical science, 2018, 9, 8631-8636 |
| 1550089 | CIF | C21 H16 F2 O | P 1 21/n 1 | 9.7695; 6.177; 24.65 90; 90.36; 90 | 1487.5 | Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R. Shape-selective crystallisation of fluxional carbon cages. Chemical science, 2018, 9, 8631-8636 |
| 1550090 | CIF | C21 H17 F O | P 1 21/n 1 | 9.7901; 6.2016; 24.0401 90; 92.931; 90 | 1457.67 | Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R. Shape-selective crystallisation of fluxional carbon cages. Chemical science, 2018, 9, 8631-8636 |
| 1550091 | CIF | C21 H16 F2 O | P 1 21/n 1 | 9.8084; 6.2441; 24.8702 90; 90.457; 90 | 1523.12 | Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R. Shape-selective crystallisation of fluxional carbon cages. Chemical science, 2018, 9, 8631-8636 |
| 1550092 | CIF | C15 H11 F O | P 21 21 21 | 9.9209; 9.9803; 11.1024 90; 90; 90 | 1099.29 | Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R. Shape-selective crystallisation of fluxional carbon cages. Chemical science, 2018, 9, 8631-8636 |
| 1550093 | CIF | C22 H19 F O2 | P 1 21/c 1 | 16.0612; 7.15; 14.5266 90; 98.455; 90 | 1650.1 | Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R. Shape-selective crystallisation of fluxional carbon cages. Chemical science, 2018, 9, 8631-8636 |
| 1550094 | CIF | C21 H16 F2 O | P 1 21/n 1 | 9.8199; 6.2643; 24.9393 90; 90.51; 90 | 1534.08 | Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R. Shape-selective crystallisation of fluxional carbon cages. Chemical science, 2018, 9, 8631-8636 |
| 1550095 | CIF | C22 H14 N2 O | P b c a | 8.23403; 10.88902; 34.457 90; 90; 90 | 3089.43 | Sirbu, Dumitru; Wales, Rebecca; Geary, David R.; Waddell, Paul G.; Benniston, Andrew C. Rosindone revisited: a computational and photophysical study of 7-phenylbenzo[a]phenazine-5(7H)-one (PBP). Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 140-147 |
| 1550096 | CIF | C41 H56 N8 O20 S4 | I 41/a :2 | 25.7276; 25.7276; 7.7202 90; 90; 90 | 5110.1 | Sozzani, Piero; Xing, Guolong; Bassanetti, Irene; Bracco, Silvia; Negroni, Mattia; Bezuidenhout, Charl; Ben, Teng; Comotti, Angiolina Double Helix of Opposite Charges to Form Channels with Unique CO2 Selectivity and Dynamics Chemical Science, 2019 |
| 1550097 | CIF | C41 H40 N8 O12 S4 | I 41/a :2 | 25.1179; 25.1179; 7.6702 90; 90; 90 | 4839.2 | Sozzani, Piero; Xing, Guolong; Bassanetti, Irene; Bracco, Silvia; Negroni, Mattia; Bezuidenhout, Charl; Ben, Teng; Comotti, Angiolina Double Helix of Opposite Charges to Form Channels with Unique CO2 Selectivity and Dynamics Chemical Science, 2019 |
| 1550098 | CIF | C52 H58 Cl2 N10 O8 Pd | P -1 | 10.6996; 11.6143; 11.6936 73.834; 68.49; 74.621 | 1276.66 | Kartha, Kalathil K.; Allampally, Naveen Kumar; Politi, Antiope T.; Prabhu, Deepak Dayanandan; Ouchi, Hayato; Albuquerque, Rodrigo Q.; Yagai, Shiki; Fernandez, Gustavo Influence of Metal Coordination and Light Irradiation on Hierarchical Self-Assembly Processes Chemical Science, 2019 |
| 1550099 | CIF | C31 H34 N2 O5 | P 1 21/c 1 | 11.0695; 17.736; 13.5179 90; 97.3794; 90 | 2631.97 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550100 | CIF | C31 H34 N2 O6 | P 1 21/c 1 | 11.235; 17.6516; 13.4798 90; 96.269; 90 | 2657.27 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550101 | CIF | C31 H34 N2 O7 | P 1 21/c 1 | 11.3258; 17.8349; 13.4077 90; 95.8; 90 | 2694.4 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550102 | CIF | C31 H34 N2 O7 | P 1 21/c 1 | 10.843; 17.862; 13.913 90; 91.715; 90 | 2693.4 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550103 | CIF | C31 H34 N2 O7 | P 1 21 1 | 11.4733; 17.6286; 13.653 90; 93.29; 90 | 2756.88 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550104 | CIF | C31 H34 N2 O5.9 | P 1 21/c 1 | 11.197; 17.627; 13.199 90; 96.347; 90 | 2589.1 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550105 | CIF | C31 H34.42 N2 O6.42 | P 1 21/c 1 | 11.282; 17.856; 13.46 90; 96.06; 90 | 2696.4 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550106 | CIF | C62 H67.84 N4 O11.72 | P 1 21 1 | 11.346; 17.508; 13.4 90; 98.15; 90 | 2635 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550107 | CIF | C31 H34 N2 O6.51 | P 1 21/c 1 | 11.253; 17.66; 13.247 90; 95.787; 90 | 2619.1 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550108 | CIF | C31 H34.55 N2 O6.14 | P 1 21/c 1 | 11.176; 17.608; 13.305 90; 95.426; 90 | 2606.5 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550109 | CIF | C31 H34 N2 O6.47 | P 1 21/c 1 | 11.487; 17.514; 13.31 90; 95.95; 90 | 2663 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550110 | CIF | C31 H34 N2 O7 | P 1 21/c 1 | 11.195; 17.69; 13.449 90; 94.4; 90 | 2656 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550111 | CIF | C31 H33 N2 O7 | P 1 21/c 1 | 11.475; 17.669; 13.248 90; 94.87; 90 | 2676 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550112 | CIF | C31 H34.12 N2 O6.33 | P 1 21/c 1 | 11.296; 17.807; 13.459 90; 95.99; 90 | 2692.5 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550113 | CIF | C31 H34 N2 O6.17 | P 1 21/c 1 | 11.199; 17.71; 13.4 90; 94.85; 90 | 2648 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550114 | CIF | C31 H34 N2 O6.27 | P 1 21/c 1 | 11.369; 17.66; 13.539 90; 95.632; 90 | 2705.2 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550115 | CIF | C31 H34 N2 O6.46 | P 1 21/c 1 | 11.102; 17.701; 13.437 90; 94.667; 90 | 2632 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550116 | CIF | C31 H34 N2 O6.4 | P 1 21/c 1 | 11.41; 17.772; 13.55 90; 95.891; 90 | 2733.1 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550117 | CIF | C31 H34 N2 O6.81 | P 1 21/c 1 | 11.405; 17.746; 13.511 90; 95.49; 90 | 2721.99 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550118 | CIF | C62 H68.91 N4 O13.03 | P 1 21 1 | 11.246; 17.607; 13.523 90; 94.19; 90 | 2671 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550119 | CIF | C31 H34 N2 O7 | P 1 21/c 1 | 11.319; 17.672; 13.391 90; 93.9; 90 | 2672.4 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550120 | CIF | C31.1 H33.33 N2 O6.35 | P 1 21/c 1 | 11.153; 17.701; 13.336 90; 95.232; 90 | 2621.8 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550121 | CIF | C31 H34 N2 O6.69 | P 1 21/c 1 | 11.404; 17.591; 13.269 90; 95.526; 90 | 2649 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550122 | CIF | C62 H67.8 N4 O12.63 | P 1 21 1 | 11.237; 17.571; 13.374 90; 94.584; 90 | 2632.2 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550123 | CIF | C31 H34 N2 O6.49 | P 1 21/c 1 | 11.279; 17.633; 13.377 90; 94.51; 90 | 2652 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550124 | CIF | C31 H34 N2 O8 | P 1 21/c 1 | 11.074; 17.895; 14 90; 92.859; 90 | 2770.9 | Dandela, Rambabu; Tothadi, Srinu; Marelli, Udaya Kiran; Nangia, Ashwini Systematic synthesis of a 6-component organic-salt alloy of naftopidil, and pentanary, quaternary and ternary multicomponent crystals IUCrJ, 2018, 5 |
| 1550125 | CIF | Cu2 S4 Sn Zn | I -4 2 m | 5.434; 5.434; 10.845 90; 90; 90 | 320.24 | Munoz, M; Vera, E; Pineda, T; Guaspud, J Synthesis and characterization by solid-state impedance spectroscopy of semiconductor Cu2ZnSnS4 material for photovoltaic technologies Journal of Physics: Conference Series, 2017, 786, 1-7 |
| 1550126 | CIF | C36 H60 K6 N12 O68 Rh4 S12 Zn4 | P 21 3 | 23.5257; 23.5257; 23.5257 90; 90; 90 | 13020.5 | Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals Chemical Science, 2019 |
| 1550127 | CIF | C36 H60 N12 Na O79 Rh4 S12 Zn4 | P 21 3 | 23.574; 23.574; 23.574 90; 90; 90 | 13101 | Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals Chemical Science, 2019 |
| 1550128 | CIF | C36 H60 N12 O77.5 Rh4 S12 Zn4 | P 21 3 | 23.55; 23.55; 23.55 90; 90; 90 | 13061 | Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals Chemical Science, 2019 |
| 1550129 | CIF HKL Paper | C12 H8 Br2 N2 O | P 1 21/n 1 | 3.8938; 5.8223; 25.8645 90; 92.044; 90 | 586 | Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim (<i>Z</i>)-1,2-Bis(3-bromophenyl)diazene 1-oxide IUCrData, 2018, 3, x181486 |
| 1550130 | CIF HKL Paper | C13 H10 Cl N O | P -1 | 9.7335; 10.6473; 24.7554 87.443; 84.272; 62.978 | 2274.1 | Javed, Saleem; Faizi, Md. Serajul Haque; Nazia, Siddiqui; Iskenderov, Turganbay 2-Amino-5-chlorobenzophenone IUCrData, 2018, 3, x181444 |
| 1550131 | CIF | C16 H20 O2 | P 21 21 21 | 5.5263; 7.588; 31.5641 90; 90; 90 | 1323.6 | Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture Chemical Science, 2019 |
| 1550132 | CIF | C11 H16 O | I 41/a | 22.7253; 22.7253; 7.5782 90; 90; 90 | 3913.68 | Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture Chemical Science, 2019 |
| 1550133 | CIF | C24 H32 O8 | P 1 21 1 | 7.4736; 20.0163; 8.2616 90; 113.345; 90 | 1134.71 | Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture Chemical Science, 2019 |
| 1550134 | CIF | C19 H18 F2 O | R -3 | 26.8452; 26.8452; 11.2309 90; 90; 120 | 7009.36 | Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture Chemical Science, 2019 |
| 1550135 | CIF | C24 H32 O9 | P 1 21 1 | 11.1125; 8.0779; 13.1558 90; 98.011; 90 | 1169.41 | Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture Chemical Science, 2019 |
| 1550136 | CIF | C18 H24 O5 | P 1 21 1 | 8.032; 6.3518; 16.1371 90; 93.7797; 90 | 821.49 | Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture Chemical Science, 2019 |
| 1550137 | CIF | C128 H72 Cd4 N16 O16 S8 Se4 | P -1 | 15.868; 19.123; 26.124 82.02; 87.25; 89.73 | 7841 | Ding, Bowen; Hua, Carol; Kepert, Cameron J.; D'Alessandro, Deanna Michelle Influence of Structure-Activity Relationships on Through-Space Intervalence Charge Transfer in Metal-Organic Frameworks with Cofacial Redox-Active Units Chemical Science, 2019 |
| 1550138 | CIF | C64 H36 N8 O8 S4 Se2 Zn2 | P 1 21/c 1 | 25.811; 18.453; 15.943 90; 90.91; 90 | 7593 | Ding, Bowen; Hua, Carol; Kepert, Cameron J.; D'Alessandro, Deanna Michelle Influence of Structure-Activity Relationships on Through-Space Intervalence Charge Transfer in Metal-Organic Frameworks with Cofacial Redox-Active Units Chemical Science, 2019 |
| 1550139 | CIF | C29 H25 N O2 Pt | C 1 2/c 1 | 46.3286; 5.1027; 20.9343 90; 114.049; 90 | 4519.3 | Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M. An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP Polymer Chemistry, 2018, 9, 5418 |
| 1550140 | CIF | C25 H21 F2 N O2 Pt | P n a 21 | 27.0937; 11.3331; 6.7354 90; 90; 90 | 2068.14 | Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M. An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP Polymer Chemistry, 2018, 9, 5418 |
| 1550141 | CIF | C25 H23 N O2 Pt | P n a 21 | 26.595; 11.416; 6.7344 90; 90; 90 | 2044.6 | Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M. An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP Polymer Chemistry, 2018, 9, 5418 |
| 1550142 | CIF | C26 H25 N O3 Pt | P 1 21/c 1 | 13.1943; 14.617; 23.1255 90; 92.449; 90 | 4455.9 | Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M. An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP Polymer Chemistry, 2018, 9, 5418 |
| 1550143 | CIF | C24 H22 N2 O4 Pd | P -1 | 8.3132; 10.841; 12.801 110.224; 92.769; 105.358 | 1031.34 | Ding, Lin; Cheng, Hailong; Li, Yanqing; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo Efficient ethylene copolymerization with polar monomers using palladium anilinonaphthoquinone catalysts Polymer Chemistry, 2018, 9, 5476 |
| 1550144 | CIF | C28 H30 N2 O2 Pd | C 1 2/c 1 | 15.029; 21.2571; 15.4985 90; 94.786; 90 | 4934.1 | Ding, Lin; Cheng, Hailong; Li, Yanqing; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo Efficient ethylene copolymerization with polar monomers using palladium anilinonaphthoquinone catalysts Polymer Chemistry, 2018, 9, 5476 |
| 1550145 | CIF | C49 H40 N2 O2 Pd | P -1 | 10.4912; 13.4734; 14.7253 94.369; 109.58; 90.382 | 1954.24 | Ding, Lin; Cheng, Hailong; Li, Yanqing; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo Efficient ethylene copolymerization with polar monomers using palladium anilinonaphthoquinone catalysts Polymer Chemistry, 2018, 9, 5476 |
| 1550146 | CIF Paper | C16 H14 O3 | P -1 | 6.0671; 7.5611; 13.8523 92.078; 93.838; 90.994 | 633.49 | Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen IUCrJ, 2018, 5 |
| 1550147 | CIF | C16 H14 O3 | P 21 21 21 | 6.113; 7.3809; 55.524 90; 90; 90 | 2505.2 | Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen IUCrJ, 2018, 5 |
| 1550148 | CIF | C16 H14 O3 | P 21 21 21 | 6.113; 7.3809; 55.524 90; 90; 90 | 2505.2 | Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen IUCrJ, 2018, 5 |
| 1550149 | CIF | C40 H47 Cl3 Co F6 Ni P3 S2 | P 1 21/n 1 | 14.1464; 13.3562; 25.4313 90; 103.789; 90 | 4666.6 | Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction Chemical Science, 2019 |
| 1550150 | CIF | C41 H49 B Cl4 Co F4 Ni P2 S2 | P -1 | 10.9745; 13.331; 17.0646 78.527; 79.83; 69.506 | 2276.23 | Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction Chemical Science, 2019 |
| 1550151 | CIF | C40 H47 B Cl2 Co F4 Ni P2 S2 | P 1 21/n 1 | 12.9111; 20.1158; 16.543 90; 99.543; 90 | 4237.04 | Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction Chemical Science, 2019 |
| 1550152 | CIF | C39 H45 Co Ni P2 S2 | P 1 21/n 1 | 12.4735; 15.403; 19.4262 90; 106.452; 90 | 3579.53 | Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction Chemical Science, 2019 |
| 1550153 | CIF | C49 H60 B2 Co F8 N5 Ni P2 S2 | P c a 21 | 21.9622; 11.6996; 20.9046 90; 90; 90 | 5371.4 | Wang, Wenguang; Chu, Xiaoxiao; Jin, Jihao; Ming, Bangrong; Pang, Maofu; Yu, Xin; Tung, Chen-Ho Bimetallic Nickel-Cobalt Hydride in H2 Activation and Catalytic Proton Reduction Chemical Science, 2019 |
| 1550154 | CIF | C124 H56 Lu2 N4 Ni S0 | C 1 2/m 1 | 23.1698; 13.7779; 18.0308 90; 93.776; 90 | 5743.5 | Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019 |
| 1550155 | CIF | C126 H56 Lu2 N4 Ni | C 1 2/m 1 | 25.274; 14.939; 19.653 90; 93.796; 90 | 7404 | Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019 |
| 1550156 | CIF | C126 H50 Lu2 N4 Ni | C 1 2/m 1 | 25.41; 15.11; 19.917 90; 94.51; 90 | 7623 | Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019 |
| 1550157 | CIF | C130 H50 Lu2 N4 Ni | P -1 | 14.604; 15.012; 19.852 85.556; 88.966; 62.445 | 3846 | Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019 |
| 1550158 | CIF | C136 H53.6 Lu2 N4 Ni S0.8 | P -1 | 14.749; 15.029; 19.899 84.624; 88.62; 62.644 | 3899 | Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019 |
| 1550159 | CIF | C292 H144 Lu4 N12 Ni3 | C 1 2/m 1 | 24.454; 18.039; 22.303 90; 101.767; 90 | 9632 | Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019 |
| 1550160 | CIF | C128 H56 Lu2 N4 Ni | C 1 2/m 1 | 25.186; 15.099; 19.694 90; 94.158; 90 | 7470 | Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019 |
| 1550161 | CIF | C296 H144 Lu6 N14 Ni3 | C 1 2/m 1 | 24.634; 17.744; 23.328 90; 103.22; 90 | 9927 | Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019 |
| 1550162 | CIF | C136 H56 Lu2 N4 Ni S0 | C 1 2/m 1 | 24.121; 18.19; 18.497 90; 90.466; 90 | 8115 | Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019 |
| 1550163 | CIF | C134 H56 Lu2 N4 Ni | C 1 2/m 1 | 24.149; 18.02; 18.486 90; 90.22; 90 | 8044 | Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size Chemical Science, 2019 |
| 1550164 | CIF | B4.09 Ba4 Bi2 O29 Si7.91 | I -4 2 m | 11.0254; 11.0254; 10.3961 90; 90; 90 | 1263.74 | Tang, Ruling; Hu, Chun-Li; Mao, Feifei; Feng, Jianghe; Mao, Jianggao Ba4Bi2(Si8-xB4+xO29)(x=0.09): A New Acentric Metal Borosilicate as Promising Nonlinear Optical Material Chemical Science, 2019 |
| 1550165 | CIF | C25 H39 Ir O2 Si | P 21 21 21 | 7.70304; 11.49824; 26.9058 90; 90; 90 | 2383.08 | Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D. Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis Chemical Science, 2019 |
| 1550166 | CIF | C22 H31 Ir O2 | I 1 2 1 | 10.8334; 8.23239; 22.2298 90; 98.0838; 90 | 1962.86 | Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D. Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis Chemical Science, 2019 |
| 1550167 | CIF | C17 H28 O2 Si | P 21 21 21 | 7.53335; 10.27117; 22.6089 90; 90; 90 | 1749.39 | Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D. Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis Chemical Science, 2019 |
| 1550168 | CIF | C40 H43 Ir O2 Si | P 1 21 1 | 10.1531; 14.0965; 23.1228 90; 102.019; 90 | 3236.86 | Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D. Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis Chemical Science, 2019 |
| 1550169 | CIF HKL Paper | C10 H28 Cl6 N6 Te | F d d d | 7.3899; 22.447; 28.512 90; 90; 90 | 4729.6 | Giltzau, Niels Ole; Köckerling, Martin Bis(tetramethylguanidinium) hexachloridotellurate(IV) IUCrData, 2018, 3, x181488 |
| 1550170 | CIF | C85 H89.5 B Cu2 F24.5 Zn5 | C 1 c 1 | 23.729; 22.495; 36.442 90; 90.573; 90 | 19451 | Banh, Hung; Hornung, Julius; Kratz, Thilo; Gemel, Christian; Pöthig, Alexander; Gam, Franck; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A. Embryonic brass: pseudo two electron Cu/Zn clusters. Chemical science, 2018, 9, 8906-8913 |
| 1550171 | CIF | C50 H75 Cu3 Zn4 | P 1 n 1 | 16.1793; 37.93; 17.4798 90; 105.636; 90 | 10330 | Banh, Hung; Hornung, Julius; Kratz, Thilo; Gemel, Christian; Pöthig, Alexander; Gam, Franck; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A. Embryonic brass: pseudo two electron Cu/Zn clusters. Chemical science, 2018, 9, 8906-8913 |
| 1550172 | CIF | O7 Re Yb3 | C 2 2 21 | 10.4422; 7.4149; 7.4123 90; 90; 90 | 573.92 | Inabayashi, M.; Doi, Y.; Wakeshima, M.; Hinatsu, Y. Magnetic properties of rare earth rhenium oxides Ln3ReO7 (Ln = Y, Er-Lu) with fluorite-related structure Journal of the Ceramic Society of Japan, 2018, 126, 920-924 |
| 1550173 | CIF | O7 Re Yb3 | F m -3 m | 5.195; 5.195; 5.195 90; 90; 90 | 140.203 | Inabayashi, M.; Doi, Y.; Wakeshima, M.; Hinatsu, Y. Magnetic properties of rare earth rhenium oxides Ln3ReO7 (Ln = Y, Er-Lu) with fluorite-related structure Journal of the Ceramic Society of Japan, 2018, 126, 920-924 |
| 1550174 | CIF | C33 H33 N3 O2 | P -1 | 9.0397; 12.5823; 12.8196 86.214; 73.428; 72.357 | 1331.5 | Das, Dipankar; Alam, Rabiul; Katarkar, Atul; Ali, Mahammad A differentially selective probe for trivalent chemosensor upon single excitation with cell imaging application: potential applications in combinatorial logic circuit and memory devices. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 242-252 |
| 1550175 | CIF | C25 H21 Ba N O10 | P -1 | 7.9225; 12.5631; 14.0398 114.96; 94.483; 104.346 | 1200.53 | Rought, Peter; Marsh, Christopher; Pili, Simona; Silverwood, Ian Philip; Garcia Sakai, Victoria; Li, Ming; Brown, Martyn; Argent, Stephen; Vitorica-Yrzebal, Inigo; Whitehead, George F. S.; Warren, Mark R.; Yang, Sihai; Schroder, Martin Modulating proton diffusion and conductivity in metal-organic frameworks by incorporation of accessible free carboxylic acid groups Chemical Science, 2019 |
| 1550176 | CIF | C24.5 H31.5 Ba2 N0.5 O19.5 | P -1 | 9.3111; 12.4288; 14.3649 83.592; 85.579; 82.416 | 1634.27 | Rought, Peter; Marsh, Christopher; Pili, Simona; Silverwood, Ian Philip; Garcia Sakai, Victoria; Li, Ming; Brown, Martyn; Argent, Stephen; Vitorica-Yrzebal, Inigo; Whitehead, George F. S.; Warren, Mark R.; Yang, Sihai; Schroder, Martin Modulating proton diffusion and conductivity in metal-organic frameworks by incorporation of accessible free carboxylic acid groups Chemical Science, 2019 |
| 1550177 | CIF | C26.5 H25.5 Ba2 N1.5 O11 | P 1 21/c 1 | 11.44352; 17.2735; 14.1871 90; 92.302; 90 | 2802.1 | Rought, Peter; Marsh, Christopher; Pili, Simona; Silverwood, Ian Philip; Garcia Sakai, Victoria; Li, Ming; Brown, Martyn; Argent, Stephen; Vitorica-Yrzebal, Inigo; Whitehead, George F. S.; Warren, Mark R.; Yang, Sihai; Schroder, Martin Modulating proton diffusion and conductivity in metal-organic frameworks by incorporation of accessible free carboxylic acid groups Chemical Science, 2019 |
| 1550178 | CIF | C20 H24 Cl2 N2 Ru | P -1 | 8.2597; 10.958; 12.6335 66.777; 75.242; 70.583 | 980.91 | Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters Chemical Science, 2019 |
| 1550179 | CIF | C100 H121 K N4 O10 Ru4 | P -1 | 9.3201; 15.1082; 17.7752 110.273; 96.128; 106.322 | 2194.55 | Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters Chemical Science, 2019 |
| 1550180 | CIF | C42 H40 N2 Ru2 | P -1 | 13.4659; 14.5842; 17.9402 83.467; 80.563; 79.39 | 3403.4 | Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters Chemical Science, 2019 |
| 1550181 | CIF | C76 H107.92 K2 N2 O16 Ru2 | P 1 21/c 1 | 13.8109; 28.5059; 19.585 90; 91.4431; 90 | 7708 | Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters Chemical Science, 2019 |
| 1550182 | CIF | C42.94 H37 F3 N2 O4.5 Ru2 S | P 21 21 2 | 21.316; 29.316; 12.6238 90; 90; 90 | 7889 | Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters Chemical Science, 2019 |
| 1550183 | CIF | C78 H67 In2 N7 O16 | C 1 2/c 1 | 23.254; 22.981; 17.777 90; 98.488; 90 | 9396 | Maka, Vijay Kumar; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha Fluorescent 2D metal-organic framework nanosheets (MONs): design, synthesis and sensing of explosive nitroaromatic compounds (NACs). Nanoscale, 2018, 10, 22389-22399 |
| 1550184 | CIF | Al K O4 Si | P 1 21 1 | 15.669; 9.057; 8.621 90; 90.16; 90 | 1223.44 | Gregorkiewitz M; Li Y; White T J; Withers R L; Sobrados I THE STRUCTURE OF "ORTHORHOMBIC" `KAlSiO~4~-<i>O1</i>': EVIDENCE FOR Al-Si ORDER FROM MAS NMR DATA COMBINED WITH RIETVELD REFINEMENT AND ELECTRON MICROSCOPY The Canadian Mineralogist, 2008, 46, 1511-1526 |
| 1550185 | CIF | C14.4 H23.21 N2 Ni S2 | P 1 21/c 1 | 9.613; 10.3609; 15.3479 90; 93.156; 90 | 1526.32 | Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019 |
| 1550186 | CIF | C14 H22 N2 Ni S Se | P 1 21/c 1 | 8.3021; 16.204; 11.629 90; 107.667; 90 | 1490.6 | Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019 |
| 1550187 | CIF | C21 H30 B Cl2 F4 Fe N2 Ni O2 S Se | P -1 | 11.436; 11.886; 12.406 108.489; 114.188; 103.182 | 1328.1 | Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019 |
| 1550188 | CIF | C20 H27 B F4 Fe N2 Ni O S Se | P 1 21/c 1 | 8.7518; 21.0078; 13.1915 90; 104.227; 90 | 2350.95 | Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019 |
| 1550189 | CIF | C20 H27 B F4 Fe N2 Ni O S Se | P b c a | 16.309; 11.4239; 24.8441 90; 90; 90 | 4628.8 | Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019 |
| 1550190 | CIF | C20 H27 B0.78 Cl0.22 F3.13 Fe N2 Ni O S2 | P b c a | 16.2504; 11.3127; 24.8851 90; 90; 90 | 4574.8 | Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019 |
| 1550191 | CIF | C52 H56 Co N5 Ni | P 1 c 1 | 11.6597; 16.9613; 12.2584 90; 116.63; 90 | 2167.1 | Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S. Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex Chemical Science, 2019 |
| 1550192 | CIF | C135 H111 N20 Ni4 | C 1 2 1 | 28.6944; 7.3064; 28.2539 90; 113.099; 90 | 5448.6 | Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S. Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex Chemical Science, 2019 |
| 1550193 | CIF | C45 H48 N6 Ni O2 | P -1 | 11.8068; 13.0124; 13.3226 71.802; 84.699; 79.232 | 1908.9 | Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S. Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex Chemical Science, 2019 |
| 1550194 | CIF | C37 H31 N6 Ni | P -1 | 10.8266; 12.1078; 12.8979 91.267; 114.454; 93.084 | 1535.01 | Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S. Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex Chemical Science, 2019 |
| 1550195 | CIF | C64 H54 N10 Ni2 O | P -1 | 12.0657; 23.067; 23.079 76.493; 81.913; 81.444 | 6138.6 | Chang, Mu-Chieh; Jesse, Kate A.; Filatov, Alexander S.; Anderson, John S. Reversible Homolytic Activation of Water via Metal-Ligand Cooperativity in a T-Shaped Ni(II) Complex Chemical Science, 2019 |
| 1550196 | CIF | C32 H48 Cl2 Fe7 N52 O8 | P -1 | 11.4046; 12.5476; 13.4127 93.108; 94.573; 98.46 | 1888.2 | Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; Stamatatos, Theocharis; Dunbar, Kim R. Rare “Janus”-Faced {FeII7} Single-Molecule Magnet Exhibiting Intramolecular Ferromagnetic Interactions Chemical Science, 2019 |
| 1550197 | CIF | C154 H154 Ag30 F24 N4 O28 S20 | P 1 21/n 1 | 19.8067; 21.3657; 24.6098 90; 94.909; 90 | 10376.3 | Zang, Shuang-Quan; Xi, Xiao-Juan; Yang, Jin-Sen; Wang, Jia-Yin; Dong, Xi-Yan New stable isomorphous Ag34 and Ag33Au nanoclusters with open shell electronic structure Nanoscale, 2018 |
| 1550198 | CIF | C162 H168 Ag34 F27 N6 O24 S20 | R -3 c | 30.37; 30.37; 39.4849 90; 90; 120 | 31539.2 | Zang, Shuang-Quan; Xi, Xiao-Juan; Yang, Jin-Sen; Wang, Jia-Yin; Dong, Xi-Yan New stable isomorphous Ag34 and Ag33Au nanoclusters with open shell electronic structure Nanoscale, 2018 |
| 1550199 | CIF | C162 H168 Ag33 Au F27 N6 O24 S20 | R -3 c | 30.3706; 30.3706; 39.4126 90; 90; 120 | 31482.7 | Zang, Shuang-Quan; Xi, Xiao-Juan; Yang, Jin-Sen; Wang, Jia-Yin; Dong, Xi-Yan New stable isomorphous Ag34 and Ag33Au nanoclusters with open shell electronic structure Nanoscale, 2018 |
| 1550200 | CIF HKL Paper | C7 H9 I N2 S | C 1 2/c 1 | 19.6249; 7.2198; 14.9117 90; 108.592; 90 | 2002.5 | Shotonwa, Ibukun O.; Boeré, René T. 1-Methyl-4-thiocarbamoylpyridin-1-ium iodide IUCrData, 2018, 3, x181491 |
| 1550201 | CIF | C27 H36 N Sc Si2 | P 21 21 21 | 10.299; 15.4938; 17.3672 90; 90; 90 | 2771.3 | Liu, Bo; Wang, Lingfang; Wu, Chunji; Cui, Dongmei Sequence-controlled ethylene/styrene copolymerization catalyzed by scandium complexes Polymer Chemistry, 2019, 10, 235 |
| 1550202 | CIF | C100 H158 Ag10 N70 O60 | P 1 21/c 1 | 25.5741; 26.2813; 24.8077 90; 110.412; 90 | 15626.8 | Linares, Fátima; Garcia-Fernandez, Emilio; López-Garzón, F Javier; Domingo-Garcia, Maria; Orte, Angel; Rodríguez Diéguez, Antonio; Galindo Cuesta, Miguel Angel Multifunctional Behavior of Molecules Comprising Stacked Cytosine-AgI-Cytosine Base Pairs; Towards Conducting and Photoluminescence Silver-DNA Nanowires Chemical Science, 2019 |
| 1550203 | CIF | C80 H112 Ag8 B8 F32 N48 O16 | P 21 21 21 | 21.799; 22.6096; 26.0615 90; 90; 90 | 12844.8 | Linares, Fátima; Garcia-Fernandez, Emilio; López-Garzón, F Javier; Domingo-Garcia, Maria; Orte, Angel; Rodríguez Diéguez, Antonio; Galindo Cuesta, Miguel Angel Multifunctional Behavior of Molecules Comprising Stacked Cytosine-AgI-Cytosine Base Pairs; Towards Conducting and Photoluminescence Silver-DNA Nanowires Chemical Science, 2019 |
| 1550204 | CIF | C80 H112 Ag8 Cl8 N48 O48 | P 21 21 21 | 21.9528; 22.8449; 26.174 90; 90; 90 | 13126.5 | Linares, Fátima; Garcia-Fernandez, Emilio; López-Garzón, F Javier; Domingo-Garcia, Maria; Orte, Angel; Rodríguez Diéguez, Antonio; Galindo Cuesta, Miguel Angel Multifunctional Behavior of Molecules Comprising Stacked Cytosine-AgI-Cytosine Base Pairs; Towards Conducting and Photoluminescence Silver-DNA Nanowires Chemical Science, 2019 |
| 1550205 | CIF | C22 H38 N4 O2 | P b c a | 8.9115; 16.2345; 32.4328 90; 90; 90 | 4692.17 | Dawn, Arnab; Mirzamani, Marzieh; Jones, Christopher D.; Yufit, Dmitry S.; Qian, Shuo; Steed, Jonathan W.; Kumari, Harshita Investigating the effect of supramolecular gel phase crystallization on gel nucleation. Soft matter, 2018, 14, 9489-9497 |
| 1550206 | CIF | C10 H28 I4 N2 Pb | P 1 21/c 1 | 15.0424; 9.2398; 8.5756 90; 106.155; 90 | 1144.85 | Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B. Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching Chemical Science, 2019 |
| 1550207 | CIF | C8 H26 I4 N2 Pb | P 42/n c m | 8.9353; 8.9353; 24.9636 90; 90; 90 | 1993.08 | Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B. Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching Chemical Science, 2019 |
| 1550208 | CIF | C16 H40 I4 N2 Pb | P 1 21/c 1 | 18.6958; 8.8497; 8.8421 90; 95.3669; 90 | 1456.53 | Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B. Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching Chemical Science, 2019 |
| 1550209 | CIF | C14 H36 I4 N2 Pb | P 1 21/c 1 | 17.4586; 9.2513; 8.5864 90; 103.223; 90 | 1350.06 | Li, Tianyang; Dunlap-Shohl, Wiley; Reinheimer, Eric W.; LeMagueres, Pierre; Mitzi, David B. Melting Temperature Suppression of Layered Hybrid Lead Halide Perovskites via Organic Ammonium Cation Branching Chemical Science, 2019 |
| 1550210 | CIF | C25 H22 B F2 N O4 | P 1 21 1 | 5.3887; 13.7558; 14.4712 90; 91.531; 90 | 1072.31 | Louis, Marine; Sethy, Ramarani; Kumar, Jatish; Katao, Shouhei; Guillot, Régis; Nakashima, Takuya; Allain, Clémence; Kawai, Tsuyoshi; Métivier, Rémi Mechano-responsive circularly polarized luminescence of organic solid-state chiral emitters Chemical Science, 2019 |
| 1550211 | CIF | C23 H26 B F2 N O4 | P 1 | 10.235; 10.796; 20.224 92.916; 103.825; 90.9 | 2166.2 | Louis, Marine; Sethy, Ramarani; Kumar, Jatish; Katao, Shouhei; Guillot, Régis; Nakashima, Takuya; Allain, Clémence; Kawai, Tsuyoshi; Métivier, Rémi Mechano-responsive circularly polarized luminescence of organic solid-state chiral emitters Chemical Science, 2019 |
| 1550212 | CIF | C69.5 H32 N2 O36 Zr6 | P 1 2/m 1 | 19.6381; 12.631; 19.6354 90; 119.994; 90 | 4218.3 | Lyu, Jiafei; Zhang, Xuan; Otake, Ken-ichi; Wang, Xingjie; Li, Peng; Li, Zhanyong; Chen, Zhijie; Zhang, Yuanyuan; Wasson, Megan C.; Yang, Ying; Bai, Peng; Guo, Xianghai; Islamoglu, Timur; Farha, Omar K. Topology and Porosity Control of Metal‒Organic Frameworks through Linker Functionalization Chemical Science, 2019 |
| 1550213 | CIF | C69 H32 Br4 O32 Zr6 | P 6/m m m | 39.5745; 39.5745; 12.1936 90; 90; 120 | 16538.4 | Lyu, Jiafei; Zhang, Xuan; Otake, Ken-ichi; Wang, Xingjie; Li, Peng; Li, Zhanyong; Chen, Zhijie; Zhang, Yuanyuan; Wasson, Megan C.; Yang, Ying; Bai, Peng; Guo, Xianghai; Islamoglu, Timur; Farha, Omar K. Topology and Porosity Control of Metal‒Organic Frameworks through Linker Functionalization Chemical Science, 2019 |
| 1550214 | CIF | C70 H106 Co2 N4 O | P -1 | 13.4757; 21.712; 25.061 95.195; 102.214; 97.097 | 7059.9 | Roy, Lisa; Al-Afyouni, Malik H.; DeRosha, Daniel E.; Mondal, Bhaskar; DiMucci, Ida M.; Lancaster, Kyle M.; Shearer, Jason; Bill, Eckhard; Brennessel, William W.; Neese, Frank; Ye, Shengfa; Holland, Patrick L. Reduction of CO2 by a masked two-coordinate cobalt(i) complex and characterization of a proposed oxodicobalt(ii) intermediate Chemical Science, 2019 |
| 1550215 | CIF | C71 H106 Co2 N4 O3 | C 1 c 1 | 20.919; 28.234; 24.42 90; 114.237; 90 | 13152 | Roy, Lisa; Al-Afyouni, Malik H.; DeRosha, Daniel E.; Mondal, Bhaskar; DiMucci, Ida M.; Lancaster, Kyle M.; Shearer, Jason; Bill, Eckhard; Brennessel, William W.; Neese, Frank; Ye, Shengfa; Holland, Patrick L. Reduction of CO2 by a masked two-coordinate cobalt(i) complex and characterization of a proposed oxodicobalt(ii) intermediate Chemical Science, 2019 |
| 1550216 | CIF HKL Paper | C19 H37 Cl2 Co Li N2 O3 | P 1 21/n 1 | 10.0535; 12.3705; 19.236 90; 104.476; 90 | 2316.4 | Vinocour, Felipe A.; Soto-Navarro, Andrea; Pineda, Leslie W. μ2-Chlorido-chlorido(μ2-4-{[2-(diethylamino)ethyl]imino}pent-2-en-2-olato)bis(tetrahydrofuran-κO)cobalt(II)lithium IUCrData, 2018, 3, x181577 |
| 1550217 | CIF HKL Paper | C16 H14 O2 | P 1 21 1 | 10.1497; 5.1276; 11.6896 90; 99.541; 90 | 599.95 | Detert, Heiner; Schollmeyer, Dieter The <i>rel-R</i>,<i>R</i>-enantiomer of 7-[7-hydroxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol IUCrData, 2018, 3, x181550 |
| 1550218 | CIF | C44 H36 D24 Mo2 O12 S4 | P -1 | 10.066; 11.5; 12.806 67.91; 88.31; 67.8 | 1260.8 | Knöfel, Nicolai D.; Rothfuss, Hannah; Barner-Kowollik, Christopher; Roesky, Peter W. M24+ paddlewheel clusters as junction points in single-chain nanoparticles Polymer Chemistry, 2019, 10, 86 |
| 1550219 | CIF | C44 H60 Cu2 O12 S4 | P n a 21 | 14.0648; 22.4851; 15.6445 90; 90; 90 | 4947.5 | Knöfel, Nicolai D.; Rothfuss, Hannah; Barner-Kowollik, Christopher; Roesky, Peter W. M24+ paddlewheel clusters as junction points in single-chain nanoparticles Polymer Chemistry, 2019, 10, 86 |
| 1550220 | CIF | C19 H17 N O | P 21 21 21 | 6.2744; 14.5625; 15.6489 90; 90; 90 | 1429.85 | Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement Chemical Science, 2019 |
| 1550221 | CIF | C28 H26 N2 O2 | P 1 21/c 1 | 21.9831; 13.325; 16.5868 90; 112.177; 90 | 4499.3 | Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement Chemical Science, 2019 |
| 1550222 | CIF | C27 H28 N2 O2 | P -1 | 7.5024; 9.4863; 15.949 93.783; 95.871; 109.707 | 1056.9 | Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement Chemical Science, 2019 |
| 1550223 | CIF | C27 H25 N2 O | P 1 21/c 1 | 9.3848; 17.3334; 12.7967 90; 94.091; 90 | 2076.34 | Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement Chemical Science, 2019 |
| 1550224 | CIF | C80 H140 K4 N4 O8 Si4 | P 1 21/n 1 | 17.2292; 21.1408; 24.5871 90; 92.4269; 90 | 8947.5 | Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019 |
| 1550225 | CIF | C80 H140 K4 N4 O14 Si4 | P -1 | 11.7068; 13.9065; 14.2431 93.271; 99.115; 95.176 | 2274.16 | Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019 |
| 1550226 | CIF | C28 H46 Cl2 In K N2 O Si2 | I 1 2/a 1 | 18.8952; 13.1861; 27.8641 90; 100.042; 90 | 6836.1 | Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019 |
| 1550227 | CIF | C31 H49 Cl2 In K N2 O Si2 | I 1 2/a 1 | 18.7078; 13.15883; 30.1739 90; 101.73; 90 | 7272.86 | Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019 |
| 1550228 | CIF | C36 H66 K2 N2 O3 Si2 | P -1 | 10.0422; 11.962; 17.7445 93.171; 96.478; 92.102 | 2112.72 | Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019 |
| 1550229 | CIF | C59 H99 In2 K2 N4 O2 Si4 | I 1 2/a 1 | 23.2852; 17.27697; 36.472 90; 108.506; 90 | 13913.9 | Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019 |
| 1550230 | CIF | C55 H93 In K N5 O7 Si2 | P -1 | 12.5559; 13.5443; 18.8336 75.5576; 81.034; 80.79 | 3039.06 | Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019 |
| 1550231 | CIF | C102 H146 In2 K2 N6 O2 Si4 | P 1 21/n 1 | 23.6145; 17.0543; 25.7456 90; 97.4553; 90 | 10280.8 | Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019 |
| 1550232 | CIF | C71 H87 In K N3 O Si2 | P 1 21/c 1 | 12.6009; 25.6091; 19.60255 90; 91.8549; 90 | 6322.38 | Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019 |
| 1550233 | CIF | C72 H108 In K N6 O7 Si2 | P 1 21/c 1 | 14.16789; 26.894; 19.8817 90; 103.597; 90 | 7363.24 | Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019 |
| 1550234 | CIF | C94 H148 In2 K2 N12 O2 Si6 | P -1 | 17.0589; 18.1114; 18.1867 69.847; 89.715; 79.713 | 5180.4 | Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019 |
| 1550235 | CIF | C120 H168 In2 K2 N12 O2 Si4 | C 1 2/c 1 | 31.129; 12.5964; 30.835 90; 102.941; 90 | 11783.7 | Anker, Mathew; Lein, Matthias; Coles, Martyn P. Reduction of Organic Azides by Indyl-Anions. Isolation and Reactivity Studies of Indium-Nitrogen Multiple Bonds Chemical Science, 2019 |
| 1550236 | CIF | C22 H23 N | P -1 | 9.7438; 9.9224; 10.984 64.086; 78.354; 63.503 | 854.8 | Abdellah, Ibrahim; Poater, Albert; Lohier, Jean-François; Gaumont, Annie-Claude Au(i)-Catalyzed hydroarylation of alkenes with N,N-dialkylanilines: a dual gold catalysis concept Catalysis Science & Technology, 2018, 8, 6486 |
| 1550237 | CIF | C24 H27 N | P -1 | 8.3046; 10.7954; 12.0469 109.64; 100.96; 104.352 | 940.16 | Abdellah, Ibrahim; Poater, Albert; Lohier, Jean-François; Gaumont, Annie-Claude Au(i)-Catalyzed hydroarylation of alkenes with N,N-dialkylanilines: a dual gold catalysis concept Catalysis Science & Technology, 2018, 8, 6486 |
| 1550238 | CIF | C20 H24 Cl2 N2 Ru | P -1 | 8.2597; 10.958; 12.6335 66.777; 75.242; 70.583 | 980.91 | Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones Chemical Science, 2019 |
| 1550239 | CIF | C100 H121 K N4 O10 Ru4 | P -1 | 9.3201; 15.1082; 17.7752 110.273; 96.128; 106.322 | 2194.55 | Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones Chemical Science, 2019 |
| 1550240 | CIF | C42 H40 N2 Ru2 | P -1 | 13.4659; 14.5842; 17.9402 83.467; 80.563; 79.39 | 3403.4 | Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones Chemical Science, 2019 |
| 1550241 | CIF | C76 H107.92 K2 N2 O16 Ru2 | P 1 21/c 1 | 13.8109; 28.5059; 19.585 90; 91.4431; 90 | 7708 | Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones Chemical Science, 2019 |
| 1550242 | CIF | C42.94 H37 F3 N2 O4.5 Ru2 S | P 21 21 2 | 21.316; 29.316; 12.6238 90; 90; 90 | 7889 | Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones Chemical Science, 2019 |
| 1550243 | CIF | C9 H12 Hg2 I4 N4 S2 | C 1 2/c 1 | 38.111; 7.4534; 16.3979 90; 113.273; 90 | 4278.9 | Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach. Metallomics : integrated biometal science, 2019, 11, 213-225 |
| 1550244 | CIF | C22 H36 Cl4 Hg2 N8 O2 S6 | C 1 2/m 1 | 17.9245; 12.3888; 10.6773 90; 126.485; 90 | 1906.3 | Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach. Metallomics : integrated biometal science, 2019, 11, 213-225 |
| 1550245 | CIF | C15 H20 N4 O4 S2 | C 1 2/c 1 | 7.2921; 7.8235; 30.636 90; 93.61; 90 | 1744.3 | Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach. Metallomics : integrated biometal science, 2019, 11, 213-225 |
| 1550246 | CIF | C18 H24 Br4 Hg2 N8 S4 | C 1 2/m 1 | 17.7977; 12.295; 10.8212 90; 125.868; 90 | 1918.9 | Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach. Metallomics : integrated biometal science, 2019, 11, 213-225 |
| 1550247 | CIF | C10 H16 Hg2 I4 N4 S2 | P b c a | 10.1454; 15.0815; 15.2995 90; 90; 90 | 2340.94 | Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach. Metallomics : integrated biometal science, 2019, 11, 213-225 |
| 1550248 | CIF | C10 H16 Br2 Hg N4 S2 | P 1 21/n 1 | 9.6186; 14.2021; 13.5419 90; 108.982; 90 | 1749.3 | Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach. Metallomics : integrated biometal science, 2019, 11, 213-225 |
| 1550249 | CIF | C15 H24 Hg2 I4 N6 S3 | P 1 21/c 1 | 18.3607; 14.7466; 11.7959 90; 107.761; 90 | 3041.6 | Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach. Metallomics : integrated biometal science, 2019, 11, 213-225 |
| 1550250 | CIF | C252 H264 O48 | P 1 21/n 1 | 19.45; 33.881; 34.509 90; 103.592; 90 | 22104 | Naulet, Guillaume; Sturm, Ludmilla; Robert, Antoine; Dechambenoit, Pierre; Röhricht, Fynn; Herges, Rainer; Bock, Harald; Durola, Fabien Cyclic tris-[5]helicenes with single and triple twisted Möbius topologies and Möbius aromaticity. Chemical science, 2018, 9, 8930-8936 |
| 1550251 | CIF | C104.5 H86.5 Cl7.5 O24 | P -1 | 15.6031; 23.6859; 26.9809 84.266; 75.642; 75.481 | 9343.9 | Naulet, Guillaume; Sturm, Ludmilla; Robert, Antoine; Dechambenoit, Pierre; Röhricht, Fynn; Herges, Rainer; Bock, Harald; Durola, Fabien Cyclic tris-[5]helicenes with single and triple twisted Möbius topologies and Möbius aromaticity. Chemical science, 2018, 9, 8930-8936 |
| 1550252 | CIF | C16 H37 N Se | C 1 2/c 1 | 14.1628; 14.0547; 19.8443 90; 110.832; 90 | 3691.9 | Fargher, Hazel; Lau, Nathanael; Zakharov, Lev; Haley, Michael M.; Johnson, Darren; Pluth, Michael D. Expanding Reversible Chalcogenide Binding: Supramolecular Receptors for the Hydroselenide (HSe–) Anion Chemical Science, 2019 |
| 1550253 | CIF | C36 H31 F18 N4 O3 | P -1 | 13.8015; 18.0488; 18.1383 103.008; 102.996; 105.924 | 4030.4 | Fargher, Hazel; Lau, Nathanael; Zakharov, Lev; Haley, Michael M.; Johnson, Darren; Pluth, Michael D. Expanding Reversible Chalcogenide Binding: Supramolecular Receptors for the Hydroselenide (HSe‒) Anion Chemical Science, 2019 |
| 1550254 | CIF | C74 H111 N5 O6 Se | P 1 21/n 1 | 9.5547; 30.3155; 26.1228 90; 90.476; 90 | 7566.4 | Fargher, Hazel; Lau, Nathanael; Zakharov, Lev; Haley, Michael M.; Johnson, Darren; Pluth, Michael D. Expanding Reversible Chalcogenide Binding: Supramolecular Receptors for the Hydroselenide (HSe‒) Anion Chemical Science, 2019 |
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