Crystallography Open Database
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Searching journal of publication like 'Chemical science' volume of publication is 9
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| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 1552893 | CIF | C56 H32 N6 | P -1 | 9; 19.58; 23.93 77.99; 83.67; 89.86 | 4098.6 | 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 |
| 1552894 | CIF | C24 H8 Cl Cr4 N32 O0.94 | P m -3 m | 18.6689; 18.6689; 18.6689 90; 90; 90 | 6506.63 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552895 | CIF | C24 H8 Cl1.77 Cu5.54 N32 O0.7 | P m -3 m | 18.51977; 18.51977; 18.51977 90; 90; 90 | 6351.95 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552896 | CIF | C26.22 H8 Cl Cr4 N32 O5.38 | P m -3 m | 18.6867; 18.6867; 18.6867 90; 90; 90 | 6525.26 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552897 | CIF | C29.23 H15.77 Cl Fe4.36 N32 O7.88 | P m -3 m | 18.90048; 18.90048; 18.90048 90; 90; 90 | 6751.78 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552898 | CIF | C26.59 H15.77 Cl Fe4.36 N32 O2.59 | P m -3 m | 18.8957; 18.8957; 18.8957 90; 90; 90 | 6746.66 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552899 | CIF | C28.51 Cl Fe5.24 N32 O4.74 | P m -3 m | 18.80041; 18.80041; 18.80041 90; 90; 90 | 6645.11 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552900 | CIF | C26.13 H8 Cl1.77 Cu5.54 N32 O4.96 | P m -3 m | 18.52951; 18.52951; 18.52951 90; 90; 90 | 6361.97 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552901 | CIF | C33.47 H15.77 Cl Fe4.36 N32 O16.34 | P m -3 m | 18.8952; 18.8952; 18.8952 90; 90; 90 | 6746.13 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552902 | CIF | C30.7 H8 Cl1.77 Cu5.54 N32 O14.09 | P m -3 m | 18.5323; 18.5323; 18.5323 90; 90; 90 | 6364.85 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552903 | CIF | C25.75 H8 Cl Cr4 N32 O4.45 | P m -3 m | 18.7761; 18.7761; 18.7761 90; 90; 90 | 6619.4 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552904 | CIF | C31.66 H8 Cl Cr4 N32 O16.26 | P m -3 m | 18.68163; 18.68163; 18.68163 90; 90; 90 | 6519.95 | Asgari, Mehrdad; Jawahery, Sudi; Bloch, Eric D.; Hudson, Matthew R.; Flacau, Roxana; Vlaisavljevich, Bess; Long, Jeffrey R.; Brown, Craig M.; Queen, Wendy L. An experimental and computational study of CO<sub>2</sub> adsorption in the sodalite-type M-BTT (M = Cr, Mn, Fe, Cu) metal-organic frameworks featuring open metal sites. Chemical science, 2018, 9, 4579-4588 |
| 1552905 | CIF | C54 H85 K N2 Ni O7 S | P -1 | 12.5636; 13.3254; 17.435 83.702; 82.251; 72.027 | 2743.9 | 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 |
| 1552906 | CIF | C61 H93 K N2 Ni O6 S2 | P -1 | 12.8138; 13.34; 20.566 80.905; 87.457; 62.801 | 3085.9 | 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 |
| 1552907 | CIF | C60 H89 K N2 Ni O8 | P 1 21/c 1 | 20.875; 11.044; 26.136 90; 101.289; 90 | 5909 | 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 |
| 1552908 | CIF | C101 H166 K2 N4 Ni2 O18 | P 1 21/n 1 | 24.849; 17.4488; 27.016 90; 115.268; 90 | 10593 | 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 |
| 1552909 | CIF | C59 H105 K N2 Ni O8 S2 | C 1 2/c 1 | 38.446; 18.5998; 18.9696 90; 112.48; 90 | 12534 | 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 |
| 1552910 | CIF | C117 H178 K2 N4 Ni2 O16 S2 | P 1 21/n 1 | 12.5942; 20.265; 22.942 90; 92.03; 90 | 5851.6 | 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 |
| 1552911 | CIF | C17 H10 F3 N O3 S | P 21 21 21 | 5.66599; 8.61364; 31.0135 90; 90; 90 | 1513.61 | 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 |
| 1552912 | CIF | C64 H70 B F20 Y | C 1 2/c 1 | 27.336; 11.5772; 19.4333 90; 106.049; 90 | 5910.4 | 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 |
| 1552913 | CIF | C62 H66 B F20 Y | P 1 21/n 1 | 15.0163; 23.1163; 16.7813 90; 90.902; 90 | 5824.4 | 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 |
| 1552914 | CIF | C58 H58 B F20 Y | P 1 21 1 | 16.538; 14.4952; 22.753 90; 90.053; 90 | 5454.4 | 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 |
| 1552915 | CIF | C60 H62 B F20 Y | P 1 21/c 1 | 14.599; 16.737; 47.12 90; 90.253; 90 | 11513 | 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 |
| 1553981 | CIF | C104 H96 Au8 Cl10 P8 S2 | C c c a :2 | 29.8513; 27.0724; 28.996 90; 90; 90 | 23433 | Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters. Chemical science, 2018, 9, 1251-1258 |
| 1553982 | CIF | C102 H92 Au8 Cl6 P8 S2 | C c c a :2 | 30.1004; 27.2979; 29.2079 90; 90; 90 | 23999.5 | Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters. Chemical science, 2018, 9, 1251-1258 |
| 1553983 | CIF | C102 H92 Au8 Cl6 P8 S2 | C c c a :2 | 30.1847; 27.3736; 29.2444 90; 90; 90 | 24163.6 | Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters. Chemical science, 2018, 9, 1251-1258 |
| 1553984 | CIF | C104 H96 Au8 Cl10 P8 S2 | C c c a :2 | 29.9954; 27.188; 29.1016 90; 90; 90 | 23732.8 | Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters. Chemical science, 2018, 9, 1251-1258 |
| 1553985 | CIF | C102 H92 Au8 Cl6 P8 S2 | C c c a :2 | 30.1665; 27.3016; 29.212 90; 90; 90 | 24058.8 | Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters. Chemical science, 2018, 9, 1251-1258 |
| 1553986 | CIF | C150 H132 Au13 Cl5 P12 | P -3 1 c | 19.878; 19.878; 27.361 90; 90; 120 | 9362.8 | Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters. Chemical science, 2018, 9, 1251-1258 |
| 1553987 | CIF | C102 H92 Au8 Cl6 P8 S2 | C c c a :2 | 27.105; 29.82; 28.748 90; 90; 90 | 23236 | Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters. Chemical science, 2018, 9, 1251-1258 |
| 1553988 | CIF | C156 H138 Au13 Cl F24 P16 | P -1 | 17.4438; 19.0667; 24.5099 86.385; 84.399; 84.413 | 8062.6 | Zhang, Shan-Shan; Feng, Lei; Senanayake, Ravithree D.; Aikens, Christine M.; Wang, Xing-Po; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di Diphosphine-protected ultrasmall gold nanoclusters: opened icosahedral Au<sub>13</sub> and heart-shaped Au<sub>8</sub> clusters. Chemical science, 2018, 9, 1251-1258 |
| 1554588 | CIF | C40 H59 Cl N2 P2 Zr | P -1 | 11.9355; 12.1743; 15.3187 112.686; 97.711; 98.63 | 1984.93 | Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H. Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends. Chemical science, 2018, 9, 5223-5232 |
| 1554589 | CIF | C52 H78 Cl N3 P2 Zr | P 1 21/n 1 | 12.10234; 13.69809; 31.6606 90; 91.0656; 90 | 5247.75 | Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H. Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends. Chemical science, 2018, 9, 5223-5232 |
| 1554590 | CIF | C52 H82 Cl N5 O P2 Zr | C 1 2/c 1 | 37.6269; 12.5284; 22.9308 90; 99.4621; 90 | 10662.6 | Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H. Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends. Chemical science, 2018, 9, 5223-5232 |
| 1554591 | CIF | C57 H80 Cl N3 P2 Zr | P -1 | 12.6621; 18.1002; 23.9357 100.866; 95.4948; 103.491 | 5182.35 | Merz, Lukas S.; Wadepohl, Hubert; Clot, Eric; Gade, Lutz H. Dehydrogenative coupling of 4-substituted pyridines mediated by a zirconium(ii) synthon: reaction pathways and dead ends. Chemical science, 2018, 9, 5223-5232 |
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