Crystallography Open Database
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Searching journal of publication like 'Chemical Science' volume of publication is 12
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1560031 | CIF | C52 H96 O Si8 U2 | P 21 21 21 | 10.5444; 18.4631; 31.5083 90; 90; 90 | 6134.1 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560032 | CIF | C26 H50 O Si4 U | P 1 21/n 1 | 17.5935; 9.977; 18.6747 90; 110.001; 90 | 3080.27 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560033 | CIF | C58.34 H113.47 O Si9 U2 | P -4 | 20.3708; 20.3708; 16.6734 90; 90; 90 | 6918.95 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560034 | CIF | C84 H168 Si12 U2 | P 1 21/c 1 | 26.7057; 15.99077; 26.5612 90; 117.35; 90 | 10074.9 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560035 | CIF | C24 H44 Si4 U | I 41/a :2 | 31.8409; 31.8409; 11.0234 90; 90; 90 | 11176 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560036 | CIF | C28 H52 O Si4 U | P 21 21 21 | 11.40224; 16.98119; 17.03377 90; 90; 90 | 3298.14 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560037 | CIF | C34 H48 N4 P2 | P -1 | 7.5552; 9.5169; 11.8279 76.651; 84.11; 72.543 | 788.85 | Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915 |
| 1560038 | CIF | C48 H58 N4 Si2 | C 1 2/c 1 | 25.072; 9.1667; 19.7603 90; 99.889; 90 | 4474 | Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915 |
| 1560039 | CIF | C34 H48 N4 Ni P2 | P -1 | 10.1955; 10.3773; 16.0898 76.412; 80.446; 88.451 | 1631.6 | Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915 |
| 1560040 | CIF | C55 H66 N4 Ni Si2 | P 1 21/m 1 | 9.1662; 26.4418; 9.8935 90; 90.567; 90 | 2397.8 | Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915 |
| 1560078 | CIF | C19 H13 N O | P 21 21 21 | 17.214; 14.4042; 5.5668 90; 90; 90 | 1380.3 | Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586 |
| 1560079 | CIF | C19 H12 F N O | P b c a | 11.8585; 10.3783; 22.8559 90; 90; 90 | 2812.9 | Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586 |
| 1560080 | CIF | C19 H12 F N O | P 1 21/n 1 | 14.608; 5.4287; 18.371 90; 107.996; 90 | 1385.6 | Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586 |
| 1560081 | CIF | C19 H12 F N O | P 1 21/c 1 | 8.9406; 22.597; 7.0302 90; 91.313; 90 | 1419.9 | Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586 |
| 1560082 | CIF | C56 H63 N5 O4 | P 1 21/c 1 | 14.7734; 17.4936; 18.6427 90; 90.2338; 90 | 4817.98 | Villarón, David; Siegler, Maxime A.; Wezenberg, Sander J. A photoswitchable strapped calix[4]pyrrole receptor: highly effective chloride binding and release Chemical Science, 2021, 12, 3188-3193 |
| 1560083 | CIF | C108 H98 Mn4 Mo9 N3 O43 P5 | P -1 | 16.1432; 18.3888; 24.571 94.772; 109.004; 106.661 | 6480.2 | Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters Chemical Science, 2021, 12, 1240-1244 |
| 1560084 | CIF | C174 H174 Cl20 Mn6 Mo18 O74 P8 | P -1 | 17.3006; 19.39; 20.7716 95.31; 112.975; 99.33 | 6236.6 | Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters Chemical Science, 2021, 12, 1240-1244 |
| 1560085 | CIF | C22 H33 Ir | P 1 21/n 1 | 8.01647; 16.3246; 15.049 90; 92.985; 90 | 1966.73 | Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G. Selective cleavage of unactivated arene ring C‒C bonds by iridium: key roles of benzylic C‒H activation and metal‒metal cooperativity Chemical Science, 2021, 12, 3568-3579 |
| 1560086 | CIF | C20 H23 Ir | C 1 c 1 | 22.2884; 22.2818; 26.1267 90; 97.5244; 90 | 12863.5 | Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G. Selective cleavage of unactivated arene ring C–C bonds by iridium: key roles of benzylic C–H activation and metal–metal cooperativity Chemical Science, 2021, 12, 3568-3579 |
| 1560094 | CIF | C51 H48 O6 S | P 21 21 21 | 8.0941; 17.5936; 32.602 90; 90; 90 | 4642.7 | Bartelmann, Thomas; Gnannt, Frederik; Zitzmann, Max; Mayer, Peter; Dube, Henry Sulfoxide hemithioindigo tweezers ‒ visible light addressable capture and release Chemical Science, 2021, 12, 3651-3659 |
| 1560095 | CIF | C36 H53 B N6 O3 P2 Pd W | P 1 21/c 1 | 16.8853; 15.2569; 15.7122 90; 91.701; 90 | 4046 | Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S. Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs” Chemical Science, 2021, 12, 3682-3692 |
| 1560096 | CIF | C32 H48 O3 P2 Pd W | P 1 21/c 1 | 8.2012; 37.372; 10.9355 90; 103.388; 90 | 3260.59 | Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S. Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs” Chemical Science, 2021, 12, 3682-3692 |
| 1560097 | CIF | C21 H30 B F2 N O5 | P 1 21/c 1 | 14.1856; 17.0247; 9.5406 90; 94.364; 90 | 2297.4 | Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes Chemical Science, 2021, 12, 3599-3607 |
| 1560098 | CIF | C22 H34 Cl2 N2 O6 Rh2 | P 1 21/n 1 | 9.2163; 11.7129; 13.3216 90; 108.006; 90 | 1367.63 | Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes Chemical Science, 2021, 12, 3599-3607 |
| 1560099 | CIF | C14 H19 N O | P 21 21 21 | 9.9241; 11.0168; 24.6334 90; 90; 90 | 2693.21 | Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes Chemical Science, 2021, 12, 3599-3607 |
| 1560100 | CIF | C23 H16 O | P 1 21/n 1 | 9.3347; 10.0778; 16.957 90; 101.582; 90 | 1562.7 | Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions Chemical Science, 2021, 12, 2778-2783 |
| 1560101 | CIF | C26 H20 O | P 1 21/c 1 | 10.294; 16.632; 11.319 90; 112.274; 90 | 1793.3 | Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions Chemical Science, 2021, 12, 2778-2783 |
| 1560102 | CIF | C26 H21 B F4 O | P 1 21/n 1 | 7.4982; 19.0172; 14.6488 90; 99.675; 90 | 2059.13 | Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions Chemical Science, 2021, 12, 2778-2783 |
| 1560103 | CIF | C4 H2.67 Bi0.67 N4.67 Ni0.67 S4 | P -1 | 8.441; 8.6899; 11.8177 97.574; 92.137; 91.817 | 858.1 | Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525 |
| 1560104 | CIF | C4 H2.67 Bi0.67 N4.67 Ni0.67 S4 | P -1 | 8.4472; 8.7119; 11.9671 97.041; 90.364; 91.558 | 873.67 | Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525 |
| 1560105 | CIF | C2 H6 N4 S | P -1 | 6.9352; 7.0096; 12.3675 90.894; 104.311; 101.787 | 568.89 | Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525 |
| 1560106 | CIF | C7 Bi N7 Ni S6 | P 1 2/n 1 | 12.216; 36.8375; 24.5263 90; 90.224; 90 | 11036.9 | Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525 |
| 1560107 | CIF | C6 H4 Bi N7 Ni S6 | P -1 | 8.4699; 8.6913; 11.9058 97.187; 91.149; 91.61 | 868.96 | Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525 |
| 1560108 | CIF | C6 Bi K N6 Ni S6 | P -1 | 8.5073; 8.5686; 11.9651 97.573; 89.781; 90.997 | 864.46 | Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525 |
| 1560109 | CIF | C0.92 Bi0.15 N1.25 Ni0.17 S0.86 | P n -3 :2 | 12.12528; 12.12528; 12.12528 90; 90; 90 | 1782.69 | Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J. Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]} Chemical Science, 2021, 12, 3516-3525 |
| 1560111 | CIF | C74 H86 Li4 O2 P2 Si4 | P -1 | 11.4716; 12.6646; 12.7092 85.944; 86.346; 68.446 | 1711.6 | Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science, 2021, 12, 3460-3474 |
| 1560112 | CIF | C37 H32 O5 P2 Si2 W | P 1 21/c 1 | 10.6448; 12.9069; 26.22 90; 92.664; 90 | 3598.5 | Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science, 2021, 12, 3460-3474 |
| 1560113 | CIF | C32 H32 P2 Si2 | P 1 21/c 1 | 12.2157; 10.4934; 22.6538 90; 99.262; 90 | 2866 | Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science, 2021, 12, 3460-3474 |
| 1560114 | CIF | C53 H60 Cl2 O4 P2 Si4 | P 1 21/n 1 | 10.1186; 18.8541; 27.477 90; 91.367; 90 | 5240.5 | Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry Chemical Science, 2021, 12, 3460-3474 |
| 1560116 | CIF | C12 H32 Cl5 N4 Ti2 | P n a 21 | 19.796; 8.413; 13.102 90; 90; 90 | 2182.1 | Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515 |
| 1560117 | CIF | C14 H36 Cl10 N4 Ti2 | P 1 21/c 1 | 13.348; 13.855; 17.166 90; 112.468; 90 | 2933.6 | Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515 |
| 1560118 | CIF | C10 H24 Cl3 N2 O Ti | P 1 21/n 1 | 10.972; 12.308; 12.075 90; 101.587; 90 | 1597.4 | Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515 |
| 1560119 | CIF | C13 H34 Cl4 N4 Ti2 | C 1 2/c 1 | 23.348; 8.843; 12.648 90; 121.198; 90 | 2233.7 | Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515 |
| 1560120 | CIF | C6 H16 Cl I N2 Zn | C 1 2/c 1 | 23.149; 7.256; 15.032 90; 111.169; 90 | 2354.5 | Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515 |
| 1560121 | CIF | C13 H34 I2 N4 Zn2 | P 21 21 21 | 11.494; 13.09; 14.921 90; 90; 90 | 2245 | Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex Chemical Science, 2021, 12, 3509-3515 |
| 1560122 | CIF | C24 H28 N2 O6 | P 1 21 1 | 18.5604; 7.5949; 8.0212 90; 96.383; 90 | 1123.69 | Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens Chemical Science, 2021, 12, 3264-3269 |
| 1560123 | CIF | C24 H28 N2 O6 | C 1 2 1 | 17.9007; 6.3022; 20.9554 90; 105.356; 90 | 2279.66 | Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens Chemical Science, 2021, 12, 3264-3269 |
| 1560124 | CIF | C24.63 H29.26 N2 O6.32 | C 1 2 1 | 17.8855; 6.3218; 21.0313 90; 105.346; 90 | 2293.19 | Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens Chemical Science, 2021, 12, 3264-3269 |
| 1560125 | CIF | C24 H20 O4 | P 21 21 21 | 8.9924; 19.5139; 23.2425 90; 90; 90 | 4078.52 | Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation Chemical Science, 2021, 12, 3726-3732 |
| 1560126 | CIF | C25 H18 O2 | P 1 | 8.6935; 11.1218; 12.2142 87.376; 70.785; 81.619 | 1103.26 | Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation Chemical Science, 2021, 12, 3726-3732 |
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