Crystallography Open Database
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Searching volume of publication is 9
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1548700 | CIF | C14 H19 B10 N | P -1 | 8.9977; 9.8055; 11.2475 87.61; 66.4692; 73.9029 | 871.46 | Chan, Tek Long; Xie, Zuowei Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles. Chemical science, 2018, 9, 2284-2289 |
| 1548701 | CIF | C36 H67 B10 Li O10 | P -1 | 11.9668; 12.4954; 14.9348 87.27; 75.356; 88.638 | 2158 | Chan, Tek Long; Xie, Zuowei Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles. Chemical science, 2018, 9, 2284-2289 |
| 1548702 | CIF | C29 H25 N O3 S | P 1 21 1 | 9.769; 13.123; 10.039 90; 114.345; 90 | 1172.5 | Zhou, Leijie; Yuan, Chunhao; Zeng, Yuan; Liu, Honglei; Wang, Chang; Gao, Xing; Wang, Qijun; Zhang, Cheng; Guo, Hongchao Phosphine-catalyzed [5+1] annulation of δ-sulfonamido-substituted enones with <i>N</i>-sulfonylimines: a facile synthesis of tetrahydropyridines. Chemical science, 2018, 9, 1831-1835 |
| 1548722 | CIF | C12 H15 O P | P 21 21 21 | 8.6681; 10.3977; 11.4123 90; 90; 90 | 1028.57 | Zhang, Kui; Cai, Lingchao; Yang, Zhongyue; Houk, K. N.; Kwon, Ohyun Bridged [2.2.1] bicyclic phosphine oxide facilitates catalytic γ-umpolung addition-Wittig olefination. Chemical science, 2018, 9, 1867-1872 |
| 1548723 | CIF | C26 H49 O3 Sc Si2 | P 1 21 1 | 8.2245; 17.776; 10.845 90; 109.79; 90 | 1491.9 | Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents Polymer Chemistry, 2018, 9, 984 |
| 1548724 | CIF | C26 H49 Lu O3 Si2 | P 1 21 1 | 8.2286; 17.857; 10.889 90; 109.76; 90 | 1505.8 | Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents Polymer Chemistry, 2018, 9, 984 |
| 1548725 | CIF | C28 H53 Lu O3 Si2 | P 1 21/n 1 | 13.3321; 15.5971; 16.0371 90; 104.67; 90 | 3226.1 | Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents Polymer Chemistry, 2018, 9, 984 |
| 1548738 | CIF | Cl Co H15 N7 O5 | P n m a | 14.6048; 7.4486; 9.5237 90; 90; 90 | 1036.04 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548739 | CIF | Cl Co H15 N7 O5 | P n m a | 14.7295; 7.3639; 9.5828 90; 90; 90 | 1039.41 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548740 | CIF | Cl Co H15 N7 O5 | P n m a | 14.7688; 7.3395; 9.5973 90; 90; 90 | 1040.31 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548741 | CIF | Cl Co H15 N7 O5 | P n m a | 14.5868; 7.4684; 9.513 90; 90; 90 | 1036.35 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548742 | CIF | Cl Co H15 N7 O5 | P n m a | 14.471; 7.5428; 9.4556 90; 90; 90 | 1032.1 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548743 | CIF | Cl Co H15 N7 O5 | P n m a | 14.7589; 7.348; 9.5909 90; 90; 90 | 1040.12 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548744 | CIF | Cl Co H15 N7 O5 | P n m a | 14.5467; 7.4933; 9.4931 90; 90; 90 | 1034.77 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548745 | CIF | Cl Co H15 N7 O5 | P n m a | 14.6615; 7.4138; 9.5536 90; 90; 90 | 1038.45 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548746 | CIF | Cl Co H15 N7 O5 | P n m a | 14.7005; 7.3877; 9.5676 90; 90; 90 | 1039.07 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548747 | CIF | Cl Co H15 N7 O5 | P n m a | 14.6166; 7.4465; 9.5286 90; 90; 90 | 1037.12 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548748 | CIF | Cl Co H15 N7 O5 | P n m a | 14.4836; 7.5409; 9.4574 90; 90; 90 | 1032.93 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548749 | CIF | Cl Co H15 N7 O5 | P n m a | 14.8308; 7.2957; 9.6188 90; 90; 90 | 1040.76 | Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies. Chemical science, 2018, 9, 2319-2335 |
| 1548752 | CIF | C34 H33 F4 Mg N3 | P c a 21 | 24.8934; 13.45834; 18.5282 90; 90; 90 | 6207.39 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548753 | CIF | C58.5 H81 Mg N4 Zn | P -1 | 11.7887; 12.0703; 21.6822 80.152; 74.593; 66.945 | 2729 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548754 | CIF | C81 H115 F3 Mg3 N6 | P -1 | 14.5708; 14.6964; 18.2421 91.379; 93.348; 91.651 | 3896.7 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548755 | CIF | C35.5 H36.5 F4 Mg N3 | P -1 | 11.8799; 16.0457; 17.2413 83.738; 85.661; 88.935 | 3257.4 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548756 | CIF | C59 H84 Mg N6 Zn | C 1 2/c 1 | 10.18598; 24.1833; 23.1663 90; 99.0832; 90 | 5635.01 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548757 | CIF | C46 H58 Mg N4 Zn | P 1 2/n 1 | 13.4443; 8.2978; 19.6313 90; 102.544; 90 | 2137.75 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548758 | CIF | C46.5 H56 F4 N3 Zn | I 1 2/a 1 | 15.6052; 24.2499; 23.5838 90; 102.23; 90 | 8722.1 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548759 | CIF | C56 H78 Mg N4 O Zn | P 1 21/n 1 | 12.3877; 22.4084; 19.0461 90; 90.149; 90 | 5287 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548760 | CIF | C65 H99 Al Mg N4 | I 1 2/a 1 | 21.9257; 15.7003; 37.0659 90; 97.8995; 90 | 12638.5 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548761 | CIF | C58 H82 N4 Zn3 | P 1 21/n 1 | 12.7429; 17.3446; 13.026 90; 101.313; 90 | 2823.07 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548762 | CIF | C54 H75 Al N4 Zn | P 21 21 21 | 13.75991; 13.8927; 26.733 90; 90; 90 | 5110.34 | Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R. A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds. Chemical science, 2018, 9, 2348-2356 |
| 1548769 | CIF | C17 H19 Cl O4 | P 21 21 21 | 6.9832; 8.5007; 26.483 90; 90; 90 | 1572.1 | Ngamnithiporn, Aurapat; Jette, Carina I.; Bachman, Shoshana; Virgil, Scott C.; Stoltz, Brian M. Nickel-catalyzed enantioselective allylic alkylation of lactones and lactams with unactivated allylic alcohols. Chemical science, 2018, 9, 2547-2551 |
| 1548770 | CIF | C17 H6 Cl7 N2 | P 1 21/n 1 | 8.7015; 14.84; 14.86 90; 105.517; 90 | 1848.9 | Kimura, Shun; Tanushi, Akira; Kusamoto, Tetsuro; Kochi, Shuntaro; Sato, Tohru; Nishihara, Hiroshi A luminescent organic radical with two pyridyl groups: high photostability and dual stimuli-responsive properties, with theoretical analyses of photophysical processes. Chemical science, 2018, 9, 1996-2007 |
| 1548829 | CIF | C260 H338 Au42 S26 | P -1 | 24.328; 24.845; 32.217 67.732; 76.94; 84.496 | 17553 | Zhuang, Shengli; Liao, Lingwen; Zhao, Yan; Yuan, Jinyun; Yao, Chuanhao; Liu, Xu; Li, Jin; Deng, Haiteng; Yang, Jinlong; Wu, Zhikun Is the kernel-staples match a key-lock match? Chemical science, 2018, 9, 2437-2442 |
| 1548838 | CIF | C18 H26 N4 O6 S | P 1 | 7.4225; 16.5812; 21.1102 82.789; 85.375; 84.403 | 2559.1 | Lee, Jisun; Joullié, Madeleine M Total synthesis of the reported structure of ceanothine D <i>via</i> a novel macrocyclization strategy. Chemical science, 2018, 9, 2432-2436 |
| 1548839 | CIF | C21 H23 Ni0.5 O4 | P 1 21/n 1 | 9.6006; 15.4568; 11.7534 90; 93.542; 90 | 1740.8 | Vijaykumar, Gonela; Pariyar, Anand; Ahmed, Jasimuddin; Shaw, Bikash Kumar; Adhikari, Debashis; Mandal, Swadhin K. Tuning the redox non-innocence of a phenalenyl ligand toward efficient nickel-assisted catalytic hydrosilylation. Chemical science, 2018, 9, 2817-2825 |
| 1548853 | CIF | C23 H26 N2 O2 S2 | P -1 | 7.4148; 10.3516; 14.6348 82.054; 79.877; 73.007 | 1053.02 | Suzuki, Naoya; Suda, Kayo; Yokogawa, Daisuke; Kitoh-Nishioka, Hirotaka; Irle, Stephan; Ando, Akihiro; Abegão, Luis M G; Kamada, Kenji; Fukazawa, Aiko; Yamaguchi, Shigehiro Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold. Chemical science, 2018, 9, 2666-2673 |
| 1548854 | CIF | C25 H30 N2 O2 S2 | P 1 21/a 1 | 10.7685; 14.2394; 16.386 90; 108.759; 90 | 2379.1 | Suzuki, Naoya; Suda, Kayo; Yokogawa, Daisuke; Kitoh-Nishioka, Hirotaka; Irle, Stephan; Ando, Akihiro; Abegão, Luis M G; Kamada, Kenji; Fukazawa, Aiko; Yamaguchi, Shigehiro Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold. Chemical science, 2018, 9, 2666-2673 |
| 1548856 | CIF | C44 H36 N2 | P 1 21/c 1 | 8.6947; 17.563; 10.737 90; 97.361; 90 | 1626.1 | Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells. Chemical science, 2018, 9, 2698-2704 |
| 1548857 | CIF | C46 H34 N4 O4 | P 1 21/c 1 | 14.1565; 17.917; 14.4208 90; 99.826; 90 | 3604.1 | Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells. Chemical science, 2018, 9, 2698-2704 |
| 1548858 | CIF | C46 H34 N4 | P -1 | 11.856; 12.147; 13.446 102.687; 111.422; 93.005 | 1739.8 | Sun, Xianglang; Xue, Qifan; Zhu, Zonglong; Xiao, Qi; Jiang, Kui; Yip, Hin-Lap; Yan, He; Li, Zhong'an Fluoranthene-based dopant-free hole transporting materials for efficient perovskite solar cells. Chemical science, 2018, 9, 2698-2704 |
| 1548860 | CIF | C42 H36.34 N O2.17 P | P 21 21 21 | 13.9558; 15.4622; 30.6296 90; 90; 90 | 6609.5 | Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P. Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship. Chemical science, 2018, 9, 2628-2632 |
| 1548861 | CIF | C22 H20 Cl F6 N | P 1 21 1 | 11.4023; 8.446; 12.168 90; 117.387; 90 | 1040.49 | Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P. Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship. Chemical science, 2018, 9, 2628-2632 |
| 1548862 | CIF | C24 H30 Cl N | P 21 21 21 | 8.332; 11.3877; 22.1875 90; 90; 90 | 2105.2 | Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P. Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship. Chemical science, 2018, 9, 2628-2632 |
| 1548863 | CIF | C46.5 H39 Cl N O2 P | P 1 21 1 | 13.9275; 18.6673; 15.2746 90; 110.757; 90 | 3713.47 | Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P. Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship. Chemical science, 2018, 9, 2628-2632 |
| 1548864 | CIF | C42.45 H36.9 Cl0.9 N O2 P | P 21 21 2 | 24.2085; 16.0031; 8.8283 90; 90; 90 | 3420.18 | Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P. Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship. Chemical science, 2018, 9, 2628-2632 |
| 1548865 | CIF | C50 H82 B Cl N6 Ni O2 Si2 | C 1 2/c 1 | 27.8322; 21.4898; 26.4066 90; 116.468; 90 | 14138.5 | Hadlington, T. J.; Szilvási, T; Driess, M. Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO. Chemical science, 2018, 9, 2595-2600 |
| 1548866 | CIF | C44 H71 B Cl N5 Ni O3 Si2 | P 1 21/c 1 | 10.8782; 25.2119; 17.866 90; 91.948; 90 | 4897.1 | Hadlington, T. J.; Szilvási, T; Driess, M. Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO. Chemical science, 2018, 9, 2595-2600 |
| 1548867 | CIF | C38 H63 B Cl N5 O2 | P -1 | 9.8905; 12.6054; 16.945 69.66; 89.159; 78.594 | 1938.4 | Hadlington, T. J.; Szilvási, T; Driess, M. Striking transformations of the hydroborylene ligand in a HB:→ Ni<sup>II</sup> complex with isocyanides and CO. Chemical science, 2018, 9, 2595-2600 |
| 1548868 | CIF | C66 H105 B Cl N6 Ni O6 Si2 | P -1 | 11.0148; 14.6131; 22.793 84.552; 83.601; 70.398 | 3428.1 | Hadlington, T. J.; Szilvási, T; Driess, M. Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO. Chemical science, 2018, 9, 2595-2600 |
| 1548869 | CIF | C27 H49 B Cl N5 | P 1 21/n 1 | 13.7173; 15.3059; 15.7157 90; 110.275; 90 | 3095.16 | Hadlington, T. J.; Szilvási, T; Driess, M. Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO. Chemical science, 2018, 9, 2595-2600 |
| 1548870 | CIF | C33 H59 B Cl N5 O | P b c a | 15.6878; 12.3457; 36.8495 90; 90; 90 | 7136.9 | Hadlington, T. J.; Szilvási, T; Driess, M. Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO. Chemical science, 2018, 9, 2595-2600 |
| 1548871 | CIF | C51 H78 B Cl N6 Ni O2 Si2 | P 1 21/c 1 | 14.0633; 26.4632; 18.1718 90; 100.801; 90 | 6643 | Hadlington, T. J.; Szilvási, T; Driess, M. Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO. Chemical science, 2018, 9, 2595-2600 |
| 1548872 | CIF | C15 H12 F6 N O P | P 1 21 1 | 10.17707; 8.43885; 18.8541 90; 101.724; 90 | 1585.46 | Sun, Y.; Cramer, N. Tailored trisubstituted chiral Cp <sup> <i>x</i> </sup> Rh<sup>III</sup> catalysts for kinetic resolutions of phosphinic amides. Chemical science, 2018, 9, 2981-2985 |
| 1548873 | CIF | C65 H60 Cl6 O4 Rh2 | P 21 21 21 | 9.524; 17.1108; 36.4272 90; 90; 90 | 5936.3 | Sun, Y.; Cramer, N. Tailored trisubstituted chiral Cp <sup> <i>x</i> </sup> Rh<sup>III</sup> catalysts for kinetic resolutions of phosphinic amides. Chemical science, 2018, 9, 2981-2985 |
| 1548874 | CIF | C32 H72 B20 Cl2 Cu2 O8 P4 Ru2 | P 1 21/n 1 | 10.4786; 16.101; 16.7081 90; 92.821; 90 | 2815.5 | Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V. Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls. Chemical science, 2018, 9, 2601-2608 |
| 1548875 | CIF | C18 H39 Ag B10 N2 O7 P2 Ru | P 1 n 1 | 10.6009; 13.8331; 11.0738 90; 103.867; 90 | 1576.57 | Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V. Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls. Chemical science, 2018, 9, 2601-2608 |
| 1548876 | CIF | C32 H72 Au2 B20 Cl2 O8 P4 Ru2 | P 1 21/c 1 | 12.421; 12.596; 19.0782 90; 101.457; 90 | 2925.4 | Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V. Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls. Chemical science, 2018, 9, 2601-2608 |
| 1548877 | CIF | C60 H36 Fe N14 S2 | P -1 | 7.945; 8.8188; 17.5482 77.665; 82.466; 81.092 | 1180.51 | Wang, Jun-Li; Liu, Qiang; Meng, Yin-Shan; Liu, Xin; Zheng, Hui; Shi, Quan; Duan, Chun-Ying; Liu, Tao Fluorescence modulation <i>via</i> photoinduced spin crossover switched energy transfer from fluorophores to Fe<sup>II</sup> ions. Chemical science, 2018, 9, 2892-2897 |
| 1548878 | CIF | C60 H36 Fe N14 S2 | P -1 | 8.002; 9.1057; 17.7358 76.787; 82.257; 80.099 | 1233.2 | Wang, Jun-Li; Liu, Qiang; Meng, Yin-Shan; Liu, Xin; Zheng, Hui; Shi, Quan; Duan, Chun-Ying; Liu, Tao Fluorescence modulation <i>via</i> photoinduced spin crossover switched energy transfer from fluorophores to Fe<sup>II</sup> ions. Chemical science, 2018, 9, 2892-2897 |
| 1548879 | CIF | C20 H36 B2 Co F8 N6 O2 | P 1 2/n 1 | 8.3869; 7.9947; 19.4819 90; 90.1405; 90 | 1306.27 | Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y. Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity. Chemical science, 2018, 9, 2750-2755 |
| 1548880 | CIF | C22 H37 B2 Co F8 N7 O | C 1 2/c 1 | 28.1807; 13.2001; 20.3454 90; 129.871; 90 | 5808.5 | Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y. Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity. Chemical science, 2018, 9, 2750-2755 |
| 1548881 | CIF | C20 H28 B2 Co F8 N6 | P 21 21 21 | 9.8793; 14.9748; 17.3244 90; 90; 90 | 2563 | Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y. Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity. Chemical science, 2018, 9, 2750-2755 |
| 1548882 | CIF | C24 H38 B2 Co F8 N8 | C 1 2/c 1 | 30.4582; 20.3058; 17.0511 90; 120.178; 90 | 9116.5 | Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y. Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity. Chemical science, 2018, 9, 2750-2755 |
| 1548883 | CIF | C52 H54 Ba2 F12 Fe2 N6 O24 S4 | P -1 | 10.8491; 11.7518; 14.5176 75.9118; 86.5298; 71.8096 | 1705.3 | Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y. Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials. Chemical science, 2018, 9, 2567-2574 |
| 1548884 | CIF | C46 H48 F6 Fe2 K2 N4 O19 S2 | C 1 2/c 1 | 32.941; 8.2524; 21.7664 90; 108.302; 90 | 5617.7 | Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y. Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials. Chemical science, 2018, 9, 2567-2574 |
| 1548885 | CIF | C26 H27 Ba Cl F6 Fe N3 O12 S2 | P -1 | 9.7023; 12.7853; 15.6368 106.971; 104.413; 98.178 | 1747.82 | Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y. Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials. Chemical science, 2018, 9, 2567-2574 |
| 1548886 | CIF | C23 H24 Cl F3 Fe K N2 O9 S | P 1 21/n 1 | 11.253; 17.652; 13.5982 90; 90.075; 90 | 2701.1 | Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y. Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials. Chemical science, 2018, 9, 2567-2574 |
| 1548887 | CIF | C26 H27 Ba F6 Fe N3 O12.5 S2 | P b c m | 9.5075; 27.3543; 28.8412 90; 90; 90 | 7500.8 | Chantarojsiri, Teera; Ziller, Joseph W.; Yang, Jenny Y. Incorporation of redox-inactive cations promotes iron catalyzed aerobic C-H oxidation at mild potentials. Chemical science, 2018, 9, 2567-2574 |
| 1548888 | CIF | C22 H24 O6 S2 | P -1 | 5.5834; 7.362; 12.537 91.1515; 93.4047; 100.667 | 505.28 | Kalelkar, Pranav P.; Collard, David M. Thiol-substituted copolylactide: synthesis, characterization and post-polymerization modification using thiol–ene chemistry Polymer Chemistry, 2018, 9, 1022 |
| 1548897 | CIF | C16 H23 Cl Co F6 N4 O6 S2 | P 1 21/n 1 | 8.8511; 24.5258; 11.1501 90; 97.066; 90 | 2402.1 | Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes. Chemical science, 2018, 9, 2609-2619 |
| 1548898 | CIF | C19 H28 Co F6 N4 O8 S2 | C 1 c 1 | 12.8115; 24.0973; 8.7902 90; 96.927; 90 | 2693.9 | Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes. Chemical science, 2018, 9, 2609-2619 |
| 1548899 | CIF | C21 H29 Co F6 N7 O6 S2 | P 1 21/n 1 | 14.2091; 13.4658; 15.184 90; 93.295; 90 | 2900.46 | Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes. Chemical science, 2018, 9, 2609-2619 |
| 1548900 | CIF | C16 H24 Co F6 N4 O6 S2 | P b c a | 9.312; 16.956; 29.498 90; 90; 90 | 4657.6 | Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes. Chemical science, 2018, 9, 2609-2619 |
| 1548901 | CIF | C18 H29 Co F6 N5 O6 S2 | P 1 21/n 1 | 8.802; 24.936; 12.694 90; 94.038; 90 | 2779.2 | Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes. Chemical science, 2018, 9, 2609-2619 |
| 1548902 | CIF | C19 H30 Co F6 N4 O7 S2 | P 1 21/c 1 | 11.9921; 15.4423; 15.8756 90; 108.403; 90 | 2789.6 | Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes. Chemical science, 2018, 9, 2609-2619 |
| 1548904 | CIF | C27 H32 B2 N Na O5 | P b c m | 14.245; 17.905; 11.3809 90; 90; 90 | 2902.8 | Zhang, Li; Jiao, Lei Super electron donors derived from diboron. Chemical science, 2018, 9, 2711-2722 |
| 1548905 | CIF | C32 H38 B K N2 O4 | P 1 21 1 | 12.3892; 40.276; 12.9956 90; 90.798; 90 | 6484 | Zhang, Li; Jiao, Lei Super electron donors derived from diboron. Chemical science, 2018, 9, 2711-2722 |
| 1548906 | CIF | C52 H57 N O2 P2 S2 Ti | P 1 21/c 1 | 14.314; 12.233; 27.034 90; 102.751; 90 | 4617 | Kurogi, Takashi; Won, Joonghee; Park, Bohyun; Trofymchuk, Oleksandra S.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J. Room temperature olefination of methane with titanium-carbon multiple bonds. Chemical science, 2018, 9, 3376-3385 |
| 1548907 | CIF | C56 H65 N7 P2 Ti | P 1 21/n 1 | 11.835; 19.146; 22.47 90; 102.101; 90 | 4978.4 | Kurogi, Takashi; Won, Joonghee; Park, Bohyun; Trofymchuk, Oleksandra S.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J. Room temperature olefination of methane with titanium-carbon multiple bonds. Chemical science, 2018, 9, 3376-3385 |
| 1548910 | CIF | C20 H28 Cl3 N4 O4 Ru | P 1 21/c 1 | 11.0085; 13.2457; 15.8552 90; 92.636; 90 | 2309.5 | Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming <i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations. Chemical science, 2018, 9, 2803-2816 |
| 1548911 | CIF | C22 H29 Cl3 N5 O4 Ru | P 21 21 21 | 8.6233; 12.5838; 23.552 90; 90; 90 | 2555.7 | Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming <i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations. Chemical science, 2018, 9, 2803-2816 |
| 1548912 | CIF | C22 H32 Cl3 N4 O4 Ru | P 1 2 1 | 10.505; 10.579; 11.649 90; 101.09; 90 | 1270.4 | Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming <i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations. Chemical science, 2018, 9, 2803-2816 |
| 1548913 | CIF | C32 H38 Cl2 N6 O8 Ru | P 1 21 1 | 8.1503; 16.4241; 12.805 90; 99.016; 90 | 1692.9 | Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming <i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations. Chemical science, 2018, 9, 2803-2816 |
| 1548914 | CIF | C31.65 H36.48 Cl2 N6.83 O8 Ru | P -1 | 9.912; 17.5103; 21.2883 81.245; 80.941; 83.022 | 3588.2 | Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming <i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations. Chemical science, 2018, 9, 2803-2816 |
| 1548915 | CIF | C78 H58 Mn3.5 N4 O24 S10 | P -1 | 14.38; 15.3958; 21.7726 74.25; 71.751; 82.351 | 4399.85 | Yamamoto, S.; Pirillo, J.; Hijikata, Y.; Zhang, Z.; Awaga, K. Nanopore-induced host-guest charge transfer phenomena in a metal-organic framework. Chemical science, 2018, 9, 3282-3289 |
| 1548916 | CIF | C100 H17.5 Mn3.5 N10 O24 | P -1 | 14.639; 16.743; 20.551 100.913; 106.78; 100.119 | 4591.03 | Yamamoto, S.; Pirillo, J.; Hijikata, Y.; Zhang, Z.; Awaga, K. Nanopore-induced host-guest charge transfer phenomena in a metal-organic framework. Chemical science, 2018, 9, 3282-3289 |
| 1548917 | CIF | C32 H68 N8 Th | P -1 | 10.383; 11.3585; 17.4827 89.777; 89.404; 63.76 | 1849.26 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548918 | CIF | C35 H69 N9 Si Th | P 1 21/c 1 | 16.9023; 11.4723; 21.7432 90; 95.127; 90 | 4199.3 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548919 | CIF | C30 H62 N6 O2 Si Th | P -1 | 9.4981; 11.95; 16.888 90.32; 99.06; 102.29 | 1848 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548920 | CIF | C29 H62 N6 O Si Th | P -1 | 12.986; 16.992; 17.337 103.843; 97.592; 93.871 | 3662.3 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548921 | CIF | C13.75 H25 N3 Th0.5 | P -1 | 11.5082; 12.3194; 12.8462 61.8432; 79.157; 86.2752 | 1576.47 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548922 | CIF | C37 H71 N7 Si Th | P 1 21/n 1 | 10.9839; 20.99; 18.246 90; 93.46; 90 | 4199 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548923 | CIF | C34 H67 N7 Si Th | P 1 21/n 1 | 12.6373; 17.8743; 17.1544 90; 90.033; 90 | 3874.9 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548924 | CIF | C56 H87 B N6 O2 Th | P 1 21/c 1 | 18.6971; 15.8036; 18.9111 90; 103.688; 90 | 5429.2 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548925 | CIF | C32 H67 B N6 Th | P 1 21/n 1 | 12.1573; 18.4711; 16.3766 90; 90.215; 90 | 3677.5 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548926 | CIF | C33 H58 N6 Th | P 1 21/c 1 | 19.0249; 10.3942; 19.133 90; 110.105; 90 | 3553 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548927 | CIF | C33 H63 N6 P Th | P 1 21/n 1 | 22.5782; 13.2908; 25.4828 90; 100.332; 90 | 7522.9 | Settineri, Nicholas S.; Arnold, John Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex. Chemical science, 2018, 9, 2831-2841 |
| 1548928 | CIF | C40 H42 Br2 F22 N2 Ni | P n m a | 13.1834; 34.0491; 10.3637 90; 90; 90 | 4652.1 | Mundil, Robert; Sokolohorskyj, Anatolij; Hošek, Jan; Cvačka, Josef; Císařová, Ivana; Kvíčala, Jaroslav; Merna, Jan Nickel and palladium complexes with fluorinated alkyl substituted α-diimine ligands for living/controlled olefin polymerization Polymer Chemistry, 2018, 9, 1234 |
| 1548929 | CIF | C49 H44 Br2 Cl2 F22 N2 Ni | I b a m | 20.5269; 21.5497; 34.938 90; 90; 90 | 15455 | Mundil, Robert; Sokolohorskyj, Anatolij; Hošek, Jan; Cvačka, Josef; Císařová, Ivana; Kvíčala, Jaroslav; Merna, Jan Nickel and palladium complexes with fluorinated alkyl substituted α-diimine ligands for living/controlled olefin polymerization Polymer Chemistry, 2018, 9, 1234 |
| 1548939 | CIF | C22 H23 N O2 Si | P 1 21 1 | 10.4794; 7.0464; 13.4791 90; 100.094; 90 | 979.92 | Rodriguez, Kevin X.; Pilato, Tara C.; Ashfeld, Brandon L. An unusual stereoretentive 1,3-quaternary carbon shift resulting in an enantioselective Rh<sup>II</sup>-catalyzed formal [4+1]-cycloaddition between diazo compounds and vinyl ketenes. Chemical science, 2018, 9, 3221-3226 |
| 1548940 | CIF | C22 H23 N O2 Si | P 21 21 21 | 9.4164; 11.6775; 17.207 90; 90; 90 | 1892.08 | Rodriguez, Kevin X.; Pilato, Tara C.; Ashfeld, Brandon L. An unusual stereoretentive 1,3-quaternary carbon shift resulting in an enantioselective Rh<sup>II</sup>-catalyzed formal [4+1]-cycloaddition between diazo compounds and vinyl ketenes. Chemical science, 2018, 9, 3221-3226 |
| 1548941 | CIF | C69.17 H38.35 B Cl2.35 F28 I N Na0 O P2 Rh | P -1 | 12.9788; 15.9249; 18.4205 77.6077; 73.186; 88.345 | 3557.34 | Carreras, Lucas; Serrano-Torné, Marta; van Leeuwen, Piet W. N. M.; Vidal-Ferran, Anton <b>XBphos-Rh</b>: a halogen-bond assembled supramolecular catalyst. Chemical science, 2018, 9, 3644-3648 |
| 1548942 | CIF | C70.5 H46 B F24 I N O P2 Rh | P -1 | 12.9235; 15.961; 18.3296 79.049; 71.52; 88.475 | 3518.3 | Carreras, Lucas; Serrano-Torné, Marta; van Leeuwen, Piet W. N. M.; Vidal-Ferran, Anton <b>XBphos-Rh</b>: a halogen-bond assembled supramolecular catalyst. Chemical science, 2018, 9, 3644-3648 |
| 1548943 | CIF | C18 H22 N2 O3 S | P 1 21/c 1 | 17.417; 7.3299; 13.5997 90; 95.37; 90 | 1728.58 | Giri, Sovan Sundar; Liu, Rai-Shung Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations. Chemical science, 2018, 9, 2991-2995 |
| 1548944 | CIF | C28 H26 N2 O3 S | P 1 21/c 1 | 13.9904; 8.4064; 21.36 90; 104.491; 90 | 2432.21 | Giri, Sovan Sundar; Liu, Rai-Shung Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations. Chemical science, 2018, 9, 2991-2995 |
| 1548945 | CIF | C18 H22 N2 O3 S | P 1 21/c 1 | 12.3308; 16.1714; 8.8646 90; 94.241; 90 | 1762.8 | Giri, Sovan Sundar; Liu, Rai-Shung Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations. Chemical science, 2018, 9, 2991-2995 |
| 1548946 | CIF | C21 H26 N2 O3 S | P 1 21/n 1 | 9.0836; 21.4854; 9.9912 90; 92.112; 90 | 1948.61 | Giri, Sovan Sundar; Liu, Rai-Shung Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations. Chemical science, 2018, 9, 2991-2995 |
| 1548947 | CIF | C24 H26 N2 O3 S | P 1 21/c 1 | 9.8261; 13.6201; 16.2063 90; 96.868; 90 | 2153.37 | Giri, Sovan Sundar; Liu, Rai-Shung Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations. Chemical science, 2018, 9, 2991-2995 |
| 1548948 | CIF | C16 H18 N2 O3 S | C 1 2/c 1 | 10.99; 9.6096; 29.66 90; 94.047; 90 | 3124.6 | Giri, Sovan Sundar; Liu, Rai-Shung Gold-catalyzed [4+3]- and [4+2]-annulations of 3-en-1-ynamides with isoxazoles <i>via</i> novel 6π-electrocyclizations of 3-azahepta trienyl cations. Chemical science, 2018, 9, 2991-2995 |
| 1548949 | CIF | C12 H12 F4 O | P 21 21 21 | 6.0422; 11.778; 15.448 90; 90; 90 | 1099.4 | Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery. Chemical science, 2018, 9, 3023-3028 |
| 1548950 | CIF | C12 H14 F2 O | P 21 21 21 | 5.25889; 9.75241; 20.4698 90; 90; 90 | 1049.83 | Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery. Chemical science, 2018, 9, 3023-3028 |
| 1548951 | CIF | C12 H14 F2 O | P 1 21/a 1 | 13.5173; 5.57303; 27.4909 90; 90.469; 90 | 2070.88 | Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery. Chemical science, 2018, 9, 3023-3028 |
| 1548952 | CIF | C12 H14 F2 O | P 1 21/c 1 | 10.536; 19.983; 10.272 90; 107.972; 90 | 2057.2 | Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery. Chemical science, 2018, 9, 3023-3028 |
| 1548953 | CIF | C12 H15 F O | P 21 21 21 | 5.33024; 9.6528; 20.0332 90; 90; 90 | 1030.74 | Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery. Chemical science, 2018, 9, 3023-3028 |
| 1548954 | CIF | C31 H34 O4 S | P 61 | 21.247; 21.247; 11.2694 90; 90; 120 | 4405.8 | Zhao, Jian; Jonker, Sybrand J. T.; Meyer, Denise N.; Schulz, Göran; Tran, C. Duc; Eriksson, Lars; Szabó, Kálmán J Copper-catalyzed synthesis of allenylboronic acids. Access to sterically encumbered homopropargylic alcohols and amines by propargylboration. Chemical science, 2018, 9, 3305-3312 |
| 1548967 | CIF | C57 H76 Cl3 P2 Pt | P 1 21/n 1 | 18.7426; 13.6265; 22.2266 90; 92.9084; 90 | 5669.3 | Miyagi, Yu; Sotani, Taichi; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio Effect of phosphine ligand on the optical absorption/emission properties of platinum-containing conjugated polymers Polymer Chemistry, 2018, 9, 1772 |
| 1548968 | CIF | C62 H54 N2 O2 P2 Pt | P -1 | 9.5747; 10.0025; 14.5919 75.3868; 73.7957; 81.3096 | 1293.65 | Miyagi, Yu; Sotani, Taichi; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio Effect of phosphine ligand on the optical absorption/emission properties of platinum-containing conjugated polymers Polymer Chemistry, 2018, 9, 1772 |
| 1548969 | CIF | C31 H27 N3 O3 | P -1 | 7.6914; 8.8535; 18.0798 91.235; 97.803; 92.431 | 1218.2 | Xiong, Yaoyao; Vargas Jentzsch, Andreas; Osterrieth, Johannes W. M.; Sezgin, Erdinc; Sazanovich, Igor V.; Reglinski, Katharina; Galiani, Silvia; Parker, Anthony W.; Eggeling, Christian; Anderson, Harry L. Spironaphthoxazine switchable dyes for biological imaging. Chemical science, 2018, 9, 3029-3040 |
| 1548970 | CIF | C308 H374 N23 O12 P3 | P -1 | 21.138; 21.616; 21.948 118.123; 106.659; 99.169 | 7942 | Fatila, Elisabeth M.; Pink, Maren; Twum, Eric B.; Karty, Jonathan A.; Flood, Amar H. Phosphate-phosphate oligomerization drives higher order co-assemblies with stacks of cyanostar macrocycles. Chemical science, 2018, 9, 2863-2872 |
| 1548971 | CIF | C365.84 H508.52 Cl14.16 N26 O29.28 P7 | P -1 | 19.692; 22.3708; 25.201 97.908; 108.437; 113.456 | 9208.2 | Fatila, Elisabeth M.; Pink, Maren; Twum, Eric B.; Karty, Jonathan A.; Flood, Amar H. Phosphate-phosphate oligomerization drives higher order co-assemblies with stacks of cyanostar macrocycles. Chemical science, 2018, 9, 2863-2872 |
| 1548975 | CIF | C26 H15 N6 O11 Zn2 | I 4 | 27.458; 27.458; 18.225 90; 90; 90 | 13741 | Zhao, He; Ni, Jun; Zhang, Jian-Jun; Liu, Shu-Qin; Sun, Ying-Ji; Zhou, Huajun; Li, Yan-Qin; Duan, Chun-Ying A trichromatic MOF composite for multidimensional ratiometric luminescent sensing. Chemical science, 2018, 9, 2918-2926 |
| 1548976 | CIF | C58.5 H43.5 F6 N6.5 O2.5 Zn | P 1 21/n 1 | 10.7604; 51.619; 18.6745 90; 98.394; 90 | 10261.5 | Nichols, Eva M.; Derrick, Jeffrey S.; Nistanaki, Sepand K.; Smith, Peter T.; Chang, Christopher J. Positional effects of second-sphere amide pendants on electrochemical CO<sub>2</sub> reduction catalyzed by iron porphyrins. Chemical science, 2018, 9, 2952-2960 |
| 1548977 | CIF | C9.4 H4 D5.61 O5 V | I 41 2 2 | 15.1723; 15.1723; 12.0747 90; 90; 90 | 2779.58 | Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials. Chemical science, 2018, 9, 3401-3408 |
| 1548978 | CIF | C10.63 H4 D8.95 O5 V | I 41 2 2 | 15.1668; 15.1668; 12.0716 90; 90; 90 | 2776.85 | Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials. Chemical science, 2018, 9, 3401-3408 |
| 1548979 | CIF | C9.01 H4 D4.06 O5 V | I 41 2 2 | 15.16316; 15.16316; 12.0746 90; 90; 90 | 2776.21 | Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials. Chemical science, 2018, 9, 3401-3408 |
| 1548980 | CIF | C10 H4 D2 O5 V | I 41 2 2 | 15.1613; 15.1613; 12.0687 90; 90; 90 | 2774.17 | Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials. Chemical science, 2018, 9, 3401-3408 |
| 1548981 | CIF | C10.14 H4 D4.28 O5 V | I 41 2 2 | 15.1594; 15.1594; 12.071 90; 90; 90 | 2774.01 | Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials. Chemical science, 2018, 9, 3401-3408 |
| 1548982 | CIF | C10.07 H4 D6.2 O5 V | I 41 2 2 | 15.1661; 15.1661; 12.0725 90; 90; 90 | 2776.8 | Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials. Chemical science, 2018, 9, 3401-3408 |
| 1548983 | CIF | C11.56 H4 D3.56 O5 V | I 41 2 2 | 15.1457; 15.1457; 12.0519 90; 90; 90 | 2764.61 | Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials. Chemical science, 2018, 9, 3401-3408 |
| 1548984 | CIF | C15 H10 B5 F30 K5 | P -1 | 10.9621; 12.9672; 13.9252 111.325; 99.442; 105.532 | 1699.54 | Phelan, James P.; Wiles, Rebecca J.; Lang, Simon B.; Kelly, Christopher B.; Molander, Gary A. Rapid access to diverse, trifluoromethyl-substituted alkenes using complementary strategies. Chemical science, 2018, 9, 3215-3220 |
| 1548989 | CIF | C21 H15 F6 N2 O P | C 1 2/c 1 | 6.861; 10.695; 23.818 90; 96.101; 90 | 1737.8 | Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W. Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission. Chemical science, 2018, 9, 3122-3130 |
| 1548990 | CIF | C22 H15 F6 O2 P | P -1 | 8.4805; 8.5013; 14.7698 74.017; 89.013; 64.503 | 917.65 | Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W. Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission. Chemical science, 2018, 9, 3122-3130 |
| 1548991 | CIF | C23 H18 F6 N O P | P -1 | 14.162; 15.264; 20.039 87.939; 85.555; 62.365 | 3826.1 | Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W. Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission. Chemical science, 2018, 9, 3122-3130 |
| 1548992 | CIF | C24 H21 F6 N2 P | P c c n | 14.5591; 21.6499; 13.0273 90; 90; 90 | 4106.2 | Rosenberg, M.; Rostgaard, K. R.; Liao, Z.; Madsen, A Ø; Martinez, K. L.; Vosch, T.; Laursen, B. W. Design, synthesis, and time-gated cell imaging of carbon-bridged triangulenium dyes with long fluorescence lifetime and red emission. Chemical science, 2018, 9, 3122-3130 |
| 1548993 | CIF | C35 H35 Cl2 F3 N8 Ni O3 S | P -1 | 10.0222; 12.1506; 16.0254 69.063; 75.075; 81.389 | 1757.6 | Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R. Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand. Chemical science, 2018, 9, 3313-3317 |
| 1548994 | CIF | C22 H35 N | P 1 21/c 1 | 17.6983; 6.2954; 17.442 90; 102.677; 90 | 1896 | Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R. Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand. Chemical science, 2018, 9, 3313-3317 |
| 1548995 | CIF | C33 H33 N8 Ni | P 21 21 21 | 10.1802; 20.4136; 26.689 90; 90; 90 | 5546.4 | Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R. Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand. Chemical science, 2018, 9, 3313-3317 |
| 1548996 | CIF | C16 H12 F3 N O4 S | P -1 | 8.4561; 8.5762; 12.4229 110.047; 111.941; 90.1156 | 776.24 | Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis. Chemical science, 2018, 9, 3276-3281 |
| 1548997 | CIF | C25 H22 F3 N O3 S | P b c a | 16.8152; 15.0512; 17.5637 90; 90; 90 | 4445.18 | Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis. Chemical science, 2018, 9, 3276-3281 |
| 1548998 | CIF | C25 H22 F3 N O4 S | P 1 21/c 1 | 16.8716; 7.8975; 16.7075 90; 90.3044; 90 | 2226.13 | Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis. Chemical science, 2018, 9, 3276-3281 |
| 1548999 | CIF | C23 H20 F3 N O4 S | P 1 21/n 1 | 14.6966; 9.1174; 17.3812 90; 116.062; 90 | 2092.17 | Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis. Chemical science, 2018, 9, 3276-3281 |
| 1549000 | CIF | C9 H12 O4 S2 | P 1 21 1 | 7.5406; 7.8875; 8.9868 90; 95.198; 90 | 532.31 | López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose Polymer Chemistry, 2018, 9, 1577 |
| 1549001 | CIF | C7 H10 O3 S2 | P 21 21 21 | 7.5535; 12.2965; 19.9749 90; 90; 90 | 1855.3 | López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose Polymer Chemistry, 2018, 9, 1577 |
| 1549002 | CIF | C9 H12 O5 S | P 21 21 21 | 6.0784; 9.833; 17.9994 90; 90; 90 | 1075.8 | López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose Polymer Chemistry, 2018, 9, 1577 |
| 1549003 | CIF | C28 H44 Li2 N6 | P 1 21/n 1 | 9.746; 25.413; 11.319 90; 105.55; 90 | 2700.8 | Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments. Chemical science, 2018, 9, 3111-3121 |
| 1549004 | CIF | C20 H36 Li2 N6 | P 1 21/c 1 | 12.7937; 9.7101; 18.6728 90; 94.3121; 90 | 2313.12 | Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments. Chemical science, 2018, 9, 3111-3121 |
| 1549005 | CIF | C40 H68 Li2 N6 | P 1 21/c 1 | 13.864; 30.46; 9.851 90; 105.18; 90 | 4014.9 | Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments. Chemical science, 2018, 9, 3111-3121 |
| 1549011 | CIF | C27 H29 Cl F6 N2 P Rh | P 1 21/n 1 | 15.9555; 11.5878; 17.1391 90; 116.061; 90 | 2846.6 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549012 | CIF | C20 H23 Cl F6 N2 P Rh | P m n 21 | 12.9507; 8.31; 10.5094 90; 90; 90 | 1131.02 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549013 | CIF | C31 H37 Cl F6 N2 O2 P Rh | P -1 | 8.51582; 13.5384; 14.2569 94.5969; 92.9146; 92.6758 | 1634.15 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549014 | CIF | C36 H35 Cl F6 N2 O P Rh | P -1 | 8.7508; 14.4955; 14.5101 84.91; 74.415; 82.382 | 1754.53 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549015 | CIF | C25 H28 F12 N3 O0.5 P2 Rh | P -1 | 9.84864; 10.1712; 16.1627 101.363; 90.9323; 109.801 | 1487.41 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549016 | CIF | C36 H39 Cl F6 N2 O P Rh | P 1 21/n 1 | 8.0233; 28.1842; 16.1096 90; 94.393; 90 | 3632.2 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549017 | CIF | C34 H35 Cl F6 N2 O P Rh | P -1 | 8.40215; 12.9603; 15.392 80; 86.442; 86.175 | 1644.79 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549018 | CIF | C28 H29 Cl F6 N2 O P Rh | P -1 | 8.20707; 10.08952; 17.2032 82.3397; 81.4575; 84.0175 | 1390.95 | Banerjee, Samya; Soldevila-Barreda, Joan J; Wolny, Juliusz A.; Wootton, Christopher A.; Habtemariam, Abraha; Romero-Canelón, Isolda; Chen, Feng; Clarkson, Guy J.; Prokes, Ivan; Song, Lijiang; O'Connor, Peter B; Schünemann, Volker; Sadler, Peter J. New activation mechanism for half-sandwich organometallic anticancer complexes. Chemical science, 2018, 9, 3177-3185 |
| 1549020 | CIF | C27 H20 N2 O3 S | P 1 21/c 1 | 12.6727; 15.398; 11.9061 90; 110.633; 90 | 2174.3 | Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields. Chemical science, 2018, 9, 3592-3606 |
| 1549021 | CIF | C15 H11 N O3 S | P -1 | 7.089; 7.256; 13.569 85.46; 77.9; 70.37 | 642.8 | Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields. Chemical science, 2018, 9, 3592-3606 |
| 1549022 | CIF | C27 H18 N2 O3 S | C 1 2 1 | 25.719; 7.5368; 11.759 90; 116.39; 90 | 2041.8 | Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields. Chemical science, 2018, 9, 3592-3606 |
| 1549023 | CIF | C17 H16 N2 O3 S | P 1 21/n 1 | 8.172; 9.666; 20.305 90; 99.512; 90 | 1581.9 | Roy, Bibhisan; Reddy, Mallu Chenna; Hazra, Partha Developing the structure-property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields. Chemical science, 2018, 9, 3592-3606 |
| 1549029 | CIF | C86 H162 Co Cr7 F8 N O33 | I 4 | 19.9066; 19.9066; 16.1991 90; 90; 90 | 6419.3 | Garlatti, Elena; Guidi, Tatiana; Chiesa, Alessandro; Ansbro, Simon; Baker, Michael L.; Ollivier, Jacques; Mutka, Hannu; Timco, Grigore A.; Vitorica-Yrezabal, Inigo; Pavarini, Eva; Santini, Paolo; Amoretti, Giuseppe; Winpenny, Richard E. P.; Carretta, Stefano Anisotropy of Co<sup>II</sup> transferred to the Cr<sub>7</sub>Co polymetallic cluster <i>via</i> strong exchange interactions. Chemical science, 2018, 9, 3555-3562 |
| 1549035 | CIF | C3 H6 N3 O10 P | P 1 21/c 1 | 12.37; 8.1257; 9.943 90; 97.638; 90 | 990.6 | Manner, Virginia W.; Cawkwell, Marc J.; Kober, Edward M.; Myers, Thomas W.; Brown, Geoff W.; Tian, Hongzhao; Snyder, Christopher J.; Perriot, Romain; Preston, Daniel N. Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters. Chemical science, 2018, 9, 3649-3663 |
| 1549036 | CIF | C4 H7 N3 O9 | P -1 | 7.6451; 7.8238; 8.9723 100.557; 96.753; 114.76 | 467.59 | Manner, Virginia W.; Cawkwell, Marc J.; Kober, Edward M.; Myers, Thomas W.; Brown, Geoff W.; Tian, Hongzhao; Snyder, Christopher J.; Perriot, Romain; Preston, Daniel N. Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters. Chemical science, 2018, 9, 3649-3663 |
| 1549042 | CIF | C17 H19 B F4 N2 O | P 1 21/c 1 | 19.5805; 9.7595; 8.9644 90; 103.158; 90 | 1668.08 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549043 | CIF | C31 H35 B N2 O | P 21 21 21 | 9.49835; 11.89113; 22.8675 90; 90; 90 | 2582.8 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549044 | CIF | C10 H16 I N O | P 1 21 1 | 5.40542; 6.94898; 16.0701 90; 95.864; 90 | 600.47 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549045 | CIF | C40 H66 Cl2 N10 O16 | I 1 2/a 1 | 15.1489; 13.2904; 24.594 90; 97.293; 90 | 4911.6 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549046 | CIF | C17 H19 Cl N2 O | P 1 21/c 1 | 18.7661; 8.8339; 9.6084 90; 100.318; 90 | 1567.1 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549047 | CIF | C19 H26 Cl N5 O3 | P 1 21/c 1 | 7.10113; 13.625; 20.6821 90; 91.5054; 90 | 2000.36 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549048 | CIF | C22 H32 N2 O6 | C 1 2 1 | 13.5545; 5.84781; 14.1657 90; 110.071; 90 | 1054.64 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549049 | CIF | C14 H18 F18 K N3 P2 S | P 1 21/c 1 | 24.3732; 10.4084; 9.9932 90; 93.1701; 90 | 2531.26 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549050 | CIF | C34 H42 N4 O8 S | P 1 21 1 | 8.6454; 9.463; 20.0392 90; 96.753; 90 | 1628.06 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549051 | CIF | C17 H21 N2 O5 P | P 1 21/c 1 | 20.7561; 9.5134; 8.5352 90; 96.5078; 90 | 1674.51 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549052 | CIF | C14 H18 Br F6 N3 S | P 1 21/c 1 | 10.9874; 14.2737; 23.2106 90; 90.2783; 90 | 3640.1 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549053 | CIF | C38 H48.7 N4 O11.35 | P 1 21 1 | 8.81; 9.7133; 21.7147 90; 100.169; 90 | 1829.03 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549054 | CIF | C18 H19 N3 O S | P 1 21/c 1 | 19.8981; 8.0213; 10.8806 90; 100.435; 90 | 1707.92 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549055 | CIF | C17 H19 I N2 O | P 1 21/c 1 | 19.6674; 8.1224; 10.8447 90; 105.289; 90 | 1671.09 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549056 | CIF | C10 H16 I N O | P 21 21 21 | 7.32726; 18.9411; 25.6662 90; 90; 90 | 3562.12 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549057 | CIF | C10 H16 Cl N O | P 1 21 1 | 7.2565; 6.1232; 12.557 90; 102.256; 90 | 545.23 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549058 | CIF | C11 H16 N2 O S | P 21 21 21 | 6.09862; 7.52704; 27.3811 90; 90; 90 | 1256.92 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549059 | CIF | C42 H46 N4 O16 Sb2 | C 1 2 1 | 22.3684; 8.4156; 15.6852 90; 130.585; 90 | 2242.36 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549060 | CIF | C31 H35 B N2 O | P 1 21/n 1 | 10.1433; 18.6189; 14.0467 90; 99.569; 90 | 2615.91 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549061 | CIF | C10 H16 Br N O | P 1 21 1 | 7.4467; 6.20961; 12.5863 90; 101.176; 90 | 570.97 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549062 | CIF | C36 H38 N4 O8 | P 1 21 1 | 9.0081; 9.3218; 19.4957 90; 95.351; 90 | 1629.95 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549063 | CIF | C19 H23 Cl I N5 O | P 1 21/c 1 | 12.9279; 12.5457; 13.139 90; 109.843; 90 | 2004.48 | Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical science, 2018, 9, 3716-3722 |
| 1549068 | CIF | C140.5 H113.5 Cl5.5 O1.5 | P -1 | 15.3025; 16.0955; 22.2445 94.998; 108.991; 92.221 | 5147.8 | Cruz, Carlos M.; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence. Chemical science, 2018, 9, 3917-3924 |
| 1549069 | CIF | C116 H103 F3 O4 S | P -1 | 14.3675; 17.3718; 18.9206 67.525; 86.143; 89.598 | 4352.9 | Cruz, Carlos M.; Márquez, Irene R; Mariz, Inês F A; Blanco, Victor; Sánchez-Sánchez, Carlos; Sobrado, Jesús M; Martín-Gago, José A; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G Enantiopure distorted ribbon-shaped nanographene combining two-photon absorption-based upconversion and circularly polarized luminescence. Chemical science, 2018, 9, 3917-3924 |
| 1549072 | CIF | C75 H61 B Cl5 F4 O3 Os P3 S2 | P 1 21/c 1 | 24.7978; 14.1129; 20.1547 90; 96.645; 90 | 7006.1 | Lu, Zhengyu; Cai, Yuanting; Wei, Yuanqing; Lin, Qin; Chen, Jiangxi; He, Xumin; Li, Shunhua; Wu, Weitai; Xia, Haiping Photothermal Möbius aromatic metallapentalenofuran and its NIR-responsive copolymer Polymer Chemistry, 2018, 9, 2092 |
| 1549073 | CIF | C77 H59 B Cl F4 O3 Os P3 S3 | P -1 | 11.1803; 14.1709; 23.4379 76.653; 84.029; 69.337 | 3379.62 | Lu, Zhengyu; Cai, Yuanting; Wei, Yuanqing; Lin, Qin; Chen, Jiangxi; He, Xumin; Li, Shunhua; Wu, Weitai; Xia, Haiping Photothermal Möbius aromatic metallapentalenofuran and its NIR-responsive copolymer Polymer Chemistry, 2018, 9, 2092 |
| 1549077 | CIF | C21 H18 Cl N3 | P 21 3 | 13.484; 13.484; 13.484 90; 90; 90 | 2451.6 | Xu, Jiaxi; Liu, Jingjing; Li, Zhenjiang; Xu, Songquan; Wang, Haixin; Guo, Tianfo; Gao, Yu; Zhang, Lei; Zhang, Chan; Guo, Kai Opposite-charge repulsive cation and anion pair cooperative organocatalysis in ring-opening polymerization Polymer Chemistry, 2018, 9, 2183 |
| 1549078 | CIF | C36 H26 N2 O2 | P 1 21/c 1 | 29.8205; 8.8627; 25.1375 90; 110.05; 90 | 6241 | Zhang, Chang-Wei; Ou, Bo; Jiang, Shu-Ting; Yin, Guang-Qiang; Chen, Li-Jun; Xu, Lin; Li, Xiaopeng; Yang, Hai-Bo Cross-linked AIE supramolecular polymer gels with multiple stimuli-responsive behaviours constructed by hierarchical self-assembly Polymer Chemistry, 2018, 9, 2021 |
| 1549080 | CIF | C25 H15 N O2 | P 1 21/n 1 | 15.4892; 7.8471; 15.5804 90; 114.831; 90 | 1718.65 | Mu, Yingxiao; Yang, Zhiyong; Chen, Junru; Yang, Zhan; Li, Wenlang; Tan, Xianbao; Mao, Zhu; Yu, Tao; Zhao, Juan; Zheng, Shizhao; Liu, Siwei; Zhang, Yi; Chi, Zhenguo; Xu, Jiarui; Aldred, Matthew P. Mechano-induced persistent room-temperature phosphorescence from purely organic molecules. Chemical science, 2018, 9, 3782-3787 |
| 1549081 | CIF | C57 H83 B2 Li O4 | P c c n | 21.5605; 26.1802; 19.2608 90; 90; 90 | 10871.9 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549082 | CIF | C56 H85 B2 Li O4 | P 1 21/n 1 | 10.7242; 21.4641; 24.027 90; 97.208; 90 | 5487 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549083 | CIF | C44 H56 B2 | P -1 | 5.974; 14.639; 21.461 82.273; 89.91; 86.79 | 1856.8 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549084 | CIF | C66 H98 B2 Li2 O7 | P 1 21/c 1 | 12.9451; 18.3459; 27.0962 90; 101.393; 90 | 6308.3 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549085 | CIF | C53 H75 B2 Li O3 | P 1 21 1 | 14.775; 19.9973; 17.9098 90; 109.105; 90 | 5000.2 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549086 | CIF | C61 H90 B2 Cl Li O8 | F d d 2 | 12.2698; 43.946; 21.961 90; 90; 90 | 11841.6 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549087 | CIF | C63 H87 B2 Li O4 | P 1 21/c 1 | 19.497; 24.7864; 23.972 90; 92.463; 90 | 11574 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549088 | CIF | C43 H54 B2 | P c a 21 | 41.344; 14.272; 6.1349 90; 90; 90 | 3620 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549089 | CIF | C70 H84 B2 O | P -1 | 10.4041; 11.5484; 25.736 79.323; 85.313; 81.22 | 2998.51 | Kaese, Thomas; Trageser, Timo; Budy, Hendrik; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias A redox-active diborane platform performs C(sp<sup>3</sup>)-H activation and nucleophilic substitution reactions. Chemical science, 2018, 9, 3881-3891 |
| 1549094 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 7.7604; 5.9132; 49.45 90; 95.879; 90 | 2257.3 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
| 1549095 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 7.856; 5.8413; 49.561 90; 95.46; 90 | 2264 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
| 1549096 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 8.0891; 5.7282; 49.849 90; 94.255; 90 | 2303.4 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
| 1549097 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 7.9306; 5.8288; 49.645 90; 95.171; 90 | 2285.5 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
| 1549098 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 7.9631; 5.8073; 49.723 90; 94.85; 90 | 2291.2 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
| 1549099 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 8.3546; 5.6236; 50.168 90; 93.146; 90 | 2353.5 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
| 1549100 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 8.0248; 5.7688; 49.827 90; 94.591; 90 | 2299.3 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
| 1549101 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 8.446; 5.58942; 50.2534 90; 92.829; 90 | 2369.48 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
| 1549102 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 7.8186; 5.8811; 49.458 90; 95.762; 90 | 2262.7 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
| 1549103 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 8.1615; 5.6918; 49.87 90; 93.819; 90 | 2311.5 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
| 1549104 | CIF | C26 H32 O2 S2 | I 1 2/a 1 | 8.2606; 5.6541; 49.944 90; 93.621; 90 | 2328 | van der Lee, Arie; Roche, Gilles H.; Wantz, Guillaume; Moreau, Joël J E; Dautel, Olivier J.; Filhol, Jean-Sébastien Experimental and theoretical evidence of a supercritical-like transition in an organic semiconductor presenting colossal uniaxial negative thermal expansion. Chemical science, 2018, 9, 3948-3956 |
| 1549107 | CIF | C30 H60 Br2 F4 Ni2 P4 | P -1 | 11.059; 12.1681; 15.1847 75.96; 89.526; 89.997 | 1982.25 | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781 |
| 1549108 | CIF | C18 H30 F5 I Ni P2 | I 1 2 1 | 8.0074; 11.3665; 12.9665 90; 94.616; 90 | 1176.33 | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781 |
| 1549109 | CIF | C18 H30 F5 I Ni P2 | I 1 2 1 | 7.8675; 11.3291; 12.9347 90; 94.392; 90 | 1149.51 | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781 |
| 1549110 | CIF | C18 H30 F4 Ni P2 | P 43 21 2 | 8.13398; 8.13398; 31.6136 90; 90; 90 | 2091.61 | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781 |
| 1549111 | CIF | C18 H30 F4 I2 Ni P2 | C m c 21 | 12.6196; 14.8011; 13.2994 90; 90; 90 | 2484.11 | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781 |
| 1549112 | CIF | C18 H30 F4 I2 Ni P2 | P b c a | 14.0519; 14.4485; 24.3473 90; 90; 90 | 4943.2 | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781 |
| 1549113 | CIF | C18 H30 F4 I2 Ni P2 | P 1 21/c 1 | 9.9032; 16.1922; 15.2884 90; 93.913; 90 | 2445.85 | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781 |
| 1549114 | CIF | C18 H30 F5 I Ni P2 | P 1 21 1 | 9.4116; 12.701; 9.727 90; 95.377; 90 | 1157.62 | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781 |
| 1549115 | CIF | C18 H30 F5 I Ni P2 | I 1 2 1 | 7.892; 11.3325; 12.9439 90; 94.434; 90 | 1154.19 | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781 |
| 1549116 | CIF | C18 H30 Cl F4 I Ni P2 | P 1 21/c 1 | 9.95341; 16.0611; 15.04577 90; 97.0034; 90 | 2387.31 | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781 |
| 1549117 | CIF | C18 H30 Br F4 I Ni P2 | P 1 21/c 1 | 9.95422; 16.0712; 15.0877 90; 95.7803; 90 | 2401.4 | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781 |
| 1549118 | CIF | C18 H30 F5 I Ni P2 | C 1 c 1 | 17.1652; 8.5185; 16.935 90; 96.803; 90 | 2458.8 | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781 |
| 1549119 | CIF | C18 H30 Cl F4 I Ni P2 | P 1 21 1 | 9.2736; 13.2118; 9.817 90; 95.22; 90 | 1197.8 | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781 |
| 1549120 | CIF | C26 H30 F4 I2 Ni P2 | P -1 | 7.8141; 12.9211; 14.7784 76.749; 79.7; 76.748 | 1401.12 | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781 |
| 1549121 | CIF | C18 H30 F4 I2 Ni P2 | P 1 21/c 1 | 12.19004; 28.0191; 14.2344 90; 91.6129; 90 | 4859.89 | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781 |
| 1549122 | CIF | C69 H54 Fe N6 O4 P2 | P 1 21/c 1 | 17.9956; 14.2843; 23.6299 90; 111.37; 90 | 5656.57 | Lim, Jia Hui; Engelmann, Xenia; Corby, Sacha; Ganguly, Rakesh; Ray, Kallol; Soo, Han Sen C-H activation and nucleophilic substitution in a photochemically generated high valent iron complex. Chemical science, 2018, 9, 3992-4002 |
| 1549123 | CIF | C62 H34 F12 Fe N6 P2 | F d d 2 | 27.5449; 55.4159; 10.2412 90; 90; 90 | 15632 | Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel Chiral macrocyclic terpyridine complexes. Chemical science, 2018, 9, 3837-3843 |
| 1549124 | CIF | C66 H44 F12 N6 O P2 Ru | P -4 21 c | 16.392; 16.392; 21.9038 90; 90; 90 | 5885.5 | Brandl, Thomas; Hoffmann, Viktor; Pannwitz, Andrea; Häussinger, Daniel; Neuburger, Markus; Fuhr, Olaf; Bernhard, Stefan; Wenger, Oliver S.; Mayor, Marcel Chiral macrocyclic terpyridine complexes. Chemical science, 2018, 9, 3837-3843 |
| 1549133 | CIF | C23 H23 Au F6 N O Sb | P 21 21 21 | 6.6287; 16.4246; 21.5858 90; 90; 90 | 2350.1 | Serra, Jordi; Font, Pau; Sosa Carrizo, E. Daiann; Mallet-Ladeira, Sonia; Massou, Stéphane; Parella, Teodor; Miqueu, Karinne; Amgoune, Abderrahmane; Ribas, Xavi; Bourissou, Didier Cyclometalated gold(iii) complexes: noticeable differences between (N,C) and (P,C) ligands in migratory insertion. Chemical science, 2018, 9, 3932-3940 |
| 1549134 | CIF | C24 H22 Au Cl4 N | P -1 | 7.4651; 9.8244; 16.963 98.935; 91.454; 106.868 | 1172.83 | Serra, Jordi; Font, Pau; Sosa Carrizo, E. Daiann; Mallet-Ladeira, Sonia; Massou, Stéphane; Parella, Teodor; Miqueu, Karinne; Amgoune, Abderrahmane; Ribas, Xavi; Bourissou, Didier Cyclometalated gold(iii) complexes: noticeable differences between (N,C) and (P,C) ligands in migratory insertion. Chemical science, 2018, 9, 3932-3940 |
| 1549135 | CIF | C55 H62 N2 P2 | P 1 21/n 1 | 10.9502; 20.9614; 20.7528 90; 97.766; 90 | 4719.7 | Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination. Chemical science, 2018, 9, 4235-4243 |
| 1549136 | CIF | C48 H52 P2 | P 1 21/c 1 | 8.3846; 21.347; 11.6195 90; 111.081; 90 | 1940.5 | Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination. Chemical science, 2018, 9, 4235-4243 |
| 1549137 | CIF | C31 H37 N2 P | P 1 21/c 1 | 8.304; 23.286; 13.9 90; 90.34; 90 | 2687.8 | Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination. Chemical science, 2018, 9, 4235-4243 |
| 1549138 | CIF | C48 H52 O P2 | P b c a | 16.9466; 20.6986; 23.0289 90; 90; 90 | 8077.9 | Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination. Chemical science, 2018, 9, 4235-4243 |
| 1549139 | CIF | C55 H64 N2 O P2 | P 1 21/n 1 | 16.228; 16.3739; 17.6769 90; 93.71; 90 | 4687.2 | Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination. Chemical science, 2018, 9, 4235-4243 |
| 1549140 | CIF | C65 H42 F6 N4 O11 | P -1 | 10.6269; 14.921; 17.4851 108.065; 102.085; 91.766 | 2563.72 | Shaw, John S.; Vaiyapuri, Rajendran; Parker, Matthew P.; Murray, Claire A.; Lim, Kate J. C.; Pan, Cong; Knappert, Marcus; Cardin, Christine J.; Greenland, Barnaby W.; Grau-Crespo, Ricardo; Colquhoun, Howard M. Elements of fractal geometry in the <sup>1</sup>H NMR spectrum of a copolymer intercalation-complex: identification of the underlying Cantor set. Chemical science, 2018, 9, 4052-4061 |
| 1549141 | CIF | C34 H37 B N2 | P 1 21/c 1 | 22.653; 8.3251; 15.2916 90; 107.682; 90 | 2747.6 | Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers. Chemical science, 2018, 9, 3844-3855 |
| 1549142 | CIF | C32 H36 B N S | P 1 21/c 1 | 7.925; 21.8524; 16.0075 90; 98.766; 90 | 2739.8 | Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers. Chemical science, 2018, 9, 3844-3855 |
| 1549143 | CIF | C34 H39 B N2 | P -1 | 10.294; 11.896; 13.128 66.239; 88.621; 75.243 | 1417.2 | Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers. Chemical science, 2018, 9, 3844-3855 |
| 1549144 | CIF | C34 H39 B N2 | P 1 21/n 1 | 8.41; 34.22; 10.14 90; 97.87; 90 | 2891 | Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers. Chemical science, 2018, 9, 3844-3855 |
| 1549145 | CIF | C32 H36 B N S | P 1 21/c 1 | 7.9779; 21.8456; 15.7662 90; 98.411; 90 | 2718.2 | Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers. Chemical science, 2018, 9, 3844-3855 |
| 1549146 | CIF | C35 H40 B N O | P 1 21/c 1 | 7.2959; 22.3592; 17.984 90; 92.626; 90 | 2930.7 | Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers. Chemical science, 2018, 9, 3844-3855 |
| 1549147 | CIF | C39 H43 B N2 | P -1 | 8.1029; 11.3778; 18.5298 87.821; 85.222; 71.032 | 1609.84 | Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers. Chemical science, 2018, 9, 3844-3855 |
| 1549148 | CIF | C32 H34 B N S | P n a 21 | 32.54; 9.129; 9.286 90; 90; 90 | 2758 | Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers. Chemical science, 2018, 9, 3844-3855 |
| 1549149 | CIF | C34 H38 B N | P -1 | 7.868; 12.043; 16.695 69.575; 77.359; 76.219 | 1423.7 | Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers. Chemical science, 2018, 9, 3844-3855 |
| 1549150 | CIF | C45 H49 B N2 | P -1 | 11.4473; 11.8684; 15.9919 94.282; 106.166; 114.679 | 1850.2 | Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers. Chemical science, 2018, 9, 3844-3855 |
| 1549151 | CIF | C33 H35 B N2 | P 1 21/c 1 | 22.112; 8.318; 15.429 90; 110.321; 90 | 2661.2 | Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers. Chemical science, 2018, 9, 3844-3855 |
| 1549152 | CIF | C31 H32 B N | P 1 21/c 1 | 11.8634; 11.878; 18.2134 90; 92.179; 90 | 2564.7 | Shi, Yong-Gang; Mellerup, Soren K.; Yuan, Kang; Hu, Guo-Fei; Sauriol, Francoise; Peng, Tai; Wang, Nan; Chen, Pangkuan; Wang, Suning Stabilising fleeting intermediates of stilbene photocyclization with amino-borane functionalisation: the rare isolation of persistent dihydrophenanthrenes and their [1,5] H-shift isomers. Chemical science, 2018, 9, 3844-3855 |
| 1549153 | CIF | C9 H19 B10 N | P -1 | 7.3461; 7.8073; 12.765 81.469; 78.051; 86.599 | 708 | Zhang, Xiaolei; Yan, Hong Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes. Chemical science, 2018, 9, 3964-3969 |
| 1549154 | CIF | C21 H21 B10 Br2 N | P 1 21/n 1 | 12.4232; 14.9794; 13.9157 90; 109.509; 90 | 2440.93 | Zhang, Xiaolei; Yan, Hong Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes. Chemical science, 2018, 9, 3964-3969 |
| 1549155 | CIF | C23 H26 B10 F3 N O | P 1 21/n 1 | 18.1161; 8.1173; 18.6508 90; 113.681; 90 | 2511.7 | Zhang, Xiaolei; Yan, Hong Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes. Chemical science, 2018, 9, 3964-3969 |
| 1549156 | CIF | C25 H35 B10 N | P 21 21 21 | 8.0494; 15.8108; 20.486 90; 90; 90 | 2607.2 | Zhang, Xiaolei; Yan, Hong Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes. Chemical science, 2018, 9, 3964-3969 |
| 1549157 | CIF | C21 H28 B10 N2 O2 S | P -1 | 7.7385; 10.4142; 15.9824 92.169; 102.976; 99.951 | 1232.3 | Zhang, Xiaolei; Yan, Hong Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes. Chemical science, 2018, 9, 3964-3969 |
| 1549158 | CIF | C34 H35 B10 N O P Pd | P 1 21/c 1 | 10.5093; 22.2105; 15.7027 90; 105.021; 90 | 3540 | Zhang, Xiaolei; Yan, Hong Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes. Chemical science, 2018, 9, 3964-3969 |
| 1549159 | CIF | C25 H40 B20 N2 O Pd | P 1 21/c 1 | 14.4456; 13.2757; 19.9354 90; 90.292; 90 | 3823.1 | Zhang, Xiaolei; Yan, Hong Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes. Chemical science, 2018, 9, 3964-3969 |
| 1549160 | CIF | C19 H31 B10 N | C 1 2/c 1 | 17.6118; 12.1001; 20.3538 90; 94.094; 90 | 4326.4 | Zhang, Xiaolei; Yan, Hong Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes. Chemical science, 2018, 9, 3964-3969 |
| 1549222 | CIF | C24 H37 N2 O2 P | C 1 2/c 1 | 19.931; 12.616; 21.565 90; 109.346; 90 | 5116 | Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T. Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes. Chemical science, 2018, 9, 4338-4347 |
| 1549223 | CIF | C24 H41 N4 P | P 1 21/c 1 | 8.3589; 16.491; 18.049 90; 93.77; 90 | 2482.6 | Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T. Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes. Chemical science, 2018, 9, 4338-4347 |
| 1549224 | CIF | C26 H33 N2 O2 P | P 1 21/n 1 | 8.587; 17.687; 16.43 90; 99.539; 90 | 2460.9 | Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T. Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes. Chemical science, 2018, 9, 4338-4347 |
| 1549225 | CIF | C26 H31 N4 P | P 1 21/n 1 | 12.8565; 9.4531; 19.152 90; 96.382; 90 | 2313.2 | Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T. Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes. Chemical science, 2018, 9, 4338-4347 |
| 1549226 | CIF | C48 H74 N4 O4 P2 | C 1 2/c 1 | 27.535; 11.39; 20.157 90; 129.45; 90 | 4881 | Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T. Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes. Chemical science, 2018, 9, 4338-4347 |
| 1549227 | CIF | C38 H54 N4 O4 P2 | P 1 21/n 1 | 9.2449; 21.052; 20.977 90; 94.271; 90 | 4071.3 | Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T. Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes. Chemical science, 2018, 9, 4338-4347 |
| 1549228 | CIF | C34 H50 B N2 O5 P | P b c a | 19.707; 17.611; 20.439 90; 90; 90 | 7094 | Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T. Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes. Chemical science, 2018, 9, 4338-4347 |
| 1549236 | CIF | C27 H22 B Br2 N | P 1 21 1 | 11.269; 7.3358; 14.2605 90; 101.418; 90 | 1155.54 | Zhang, Weidong; Li, Guoping; Xu, Letian; Zhuo, Yue; Wan, Wenming; Yan, Ni; He, Gang 9,10-Azaboraphenanthrene-containing small molecules and conjugated polymers: synthesis and their application in chemodosimeters for the ratiometric detection of fluoride ions. Chemical science, 2018, 9, 4444-4450 |
| 1549237 | CIF | C22 H30 Cl N O4 S | P 1 21/n 1 | 12.0663; 10.1526; 18.2867 90; 103.196; 90 | 2181.05 | Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement. Chemical science, 2018, 9, 4124-4131 |
| 1549238 | CIF | C23 H19 N O3 S | F d d 2 | 22.362; 58.28; 5.779 90; 90; 90 | 7532 | Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement. Chemical science, 2018, 9, 4124-4131 |
| 1549239 | CIF | C20 H25 N O5 S | P c a 21 | 11.7592; 10.1198; 32.161 90; 90; 90 | 3827.2 | Maryasin, Boris; Kaldre, Dainis; Galaverna, Renan; Klose, Immo; Ruider, Stefan; Drescher, Martina; Kählig, Hanspeter; González, Leticia; Eberlin, Marcos N.; Jurberg, Igor D.; Maulide, Nuno Unusual mechanisms in Claisen rearrangements: an ionic fragmentation leading to a <i>meta</i>-selective rearrangement. Chemical science, 2018, 9, 4124-4131 |
| 1549244 | CIF | C36 H56 Cu F6 N3 Sb Si3 | P 1 21/n 1 | 14.617; 14.759; 21.243 90; 107.874; 90 | 4362 | Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene. Chemical science, 2018, 9, 4333-4337 |
| 1549245 | CIF | C33 H42 Cu F6 N2 Sb | P 1 21/c 1 | 13.3555; 13.9173; 18.181 90; 102.245; 90 | 3302.5 | Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene. Chemical science, 2018, 9, 4333-4337 |
| 1549246 | CIF | C40 H56 Cl2 Cu F6 N2 Sb | P 1 21/n 1 | 10.506; 20.813; 20.435 90; 104.638; 90 | 4323 | Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene. Chemical science, 2018, 9, 4333-4337 |
| 1549247 | CIF | C33 H59 Cu F6 N3 Sb Si3 | P 1 21/c 1 | 13.605; 14.057; 21.79 90; 107.833; 90 | 3967 | Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana Taming a monomeric [Cu(η<sup>6</sup>-C<sub>6</sub>H<sub>6</sub>)]<sup>+</sup> complex with silylene. Chemical science, 2018, 9, 4333-4337 |
| 1549253 | CIF | C26 H49 F3 Ir N2 O2 P2 | P b c a | 14.6519; 15.5746; 27.2406 90; 90; 90 | 6216.2 | Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state. Chemical science, 2018, 9, 4325-4332 |
| 1549254 | CIF | C31 H55 Ir N2 O2 P2 | P 1 21/c 1 | 11.2846; 14.9634; 19.8058 90; 92.013; 90 | 3342.3 | Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state. Chemical science, 2018, 9, 4325-4332 |
| 1549255 | CIF | C24 H49 Ir N2 P2 | P 1 21/c 1 | 11.0958; 15.4511; 16.0856 90; 100.56; 90 | 2711 | Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state. Chemical science, 2018, 9, 4325-4332 |
| 1549256 | CIF | C25 H49 Ir N2 O2 P2 | P 1 21/m 1 | 7.9728; 21.7175; 8.7383 90; 113.559; 90 | 1386.92 | Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state. Chemical science, 2018, 9, 4325-4332 |
| 1549269 | CIF | C28 H33 Br N2 O3 | P 1 21 1 | 5.4738; 16.81; 14.183 90; 95.627; 90 | 1298.8 | Hu, Qiupeng; Kondoh, Azusa; Terada, Masahiro Enantioselective direct Mannich-type reactions of 2-benzylpyridine N-oxides catalyzed by chiral bis(guanidino)iminophosphorane organosuperbase. Chemical science, 2018, 9, 4348-4351 |
| 1549270 | CIF | C32 H33 N O3 | P 31 2 1 | 12.0961; 12.0961; 30.6664 90; 90; 120 | 3885.8 | Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L. Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations. Chemical science, 2018, 9, 4644-4649 |
| 1549271 | CIF | C32 H33 N O3 | P 1 21 1 | 10.2041; 12.0967; 10.8841 90; 109.609; 90 | 1265.57 | Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L. Asymmetric synthesis of multiple quaternary stereocentre-containing cyclopentyls by oxazolidinone-promoted Nazarov cyclizations. Chemical science, 2018, 9, 4644-4649 |
| 1549273 | CIF | C45 H58 Cl4 Cu2 O4 P4 | P 21 21 21 | 10.5101; 20.6596; 22.4637 90; 90; 90 | 4877.6 | Zatolochnaya, Olga V.; Rodríguez, Sonia; Zhang, Yongda; Lao, Kendricks S.; Tcyrulnikov, Sergei; Li, Guisheng; Wang, Xiao-Jun; Qu, Bo; Biswas, Soumik; Mangunuru, Hari P. R.; Rivalti, Daniel; Sieber, Joshua D.; Desrosiers, Jean-Nicolas; Leung, Joyce C.; Grinberg, Nelu; Lee, Heewon; Haddad, Nizar; Yee, Nathan K.; Song, Jinhua J.; Kozlowski, Marisa C.; Senanayake, Chris H. Copper-catalyzed asymmetric hydrogenation of 2-substituted ketones <i>via</i> dynamic kinetic resolution. Chemical science, 2018, 9, 4505-4510 |
| 1549274 | CIF | C64 H92 Cl2 Cu2 N4 O4 P4 | P 21 21 21 | 13.69; 16.8264; 30.4315 90; 90; 90 | 7010 | Zatolochnaya, Olga V.; Rodríguez, Sonia; Zhang, Yongda; Lao, Kendricks S.; Tcyrulnikov, Sergei; Li, Guisheng; Wang, Xiao-Jun; Qu, Bo; Biswas, Soumik; Mangunuru, Hari P. R.; Rivalti, Daniel; Sieber, Joshua D.; Desrosiers, Jean-Nicolas; Leung, Joyce C.; Grinberg, Nelu; Lee, Heewon; Haddad, Nizar; Yee, Nathan K.; Song, Jinhua J.; Kozlowski, Marisa C.; Senanayake, Chris H. Copper-catalyzed asymmetric hydrogenation of 2-substituted ketones <i>via</i> dynamic kinetic resolution. Chemical science, 2018, 9, 4505-4510 |
| 1549275 | CIF | C36 H35 B F15 P | C 1 2/c 1 | 28.898; 11.2532; 21.7565 90; 105.318; 90 | 6823.8 | Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard Solid state frustrated Lewis pair chemistry. Chemical science, 2018, 9, 4859-4865 |
| 1549276 | CIF | C36 H33 B F15 O2 P S | P -1 | 10.9369; 12.602; 15.7611 90.384; 97.992; 111.759 | 1993.92 | Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard Solid state frustrated Lewis pair chemistry. Chemical science, 2018, 9, 4859-4865 |
| 1549277 | CIF | C38 H37 B Cl4 F15 P | P b c a | 20.8497; 16.0333; 23.8954 90; 90; 90 | 7988 | Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard Solid state frustrated Lewis pair chemistry. Chemical science, 2018, 9, 4859-4865 |
| 1549278 | CIF | C20 H19 N O | P 1 21/c 1 | 9.5578; 20.653; 8.4644 90; 108.514; 90 | 1584.4 | Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups. Chemical science, 2018, 9, 4488-4492 |
| 1549279 | CIF | C18 H20 Br N O | P -1 | 7.6388; 11.2206; 11.3511 116.079; 109.218; 91.505 | 808.23 | Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups. Chemical science, 2018, 9, 4488-4492 |
| 1549280 | CIF | C21.5 H19.5 Cl1.5 N O3 | P -1 | 11.282; 11.457; 14.934 84.071; 88.539; 84.074 | 1910 | Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups. Chemical science, 2018, 9, 4488-4492 |
| 1549281 | CIF | C22 H21 N O5 | P 1 21/c 1 | 11.8837; 10.0611; 19.6889 90; 107.518; 90 | 2244.9 | Mokar, Bhanudas Dattatray; Jadhav, Prakash D.; Pandit, Y. B.; Liu, Rai-Shung Gold-catalyzed (4 + 2)-annulations between α-alkyl alkenylgold carbenes and benzisoxazoles with reactive alkyl groups. Chemical science, 2018, 9, 4488-4492 |
| 1549282 | CIF | C43 H58 B Co F3 N6 O3 S | P -1 | 11.3925; 16.9868; 21.7195 94.871; 98.674; 92.305 | 4134.1 | Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S. Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity. Chemical science, 2018, 9, 4493-4499 |
| 1549283 | CIF | C63 H59 B2 Co F24 I N6 O3 S | P 1 | 10.4248; 12.9027; 15.4799 101.302; 105.089; 113.446 | 1735.7 | Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S. Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity. Chemical science, 2018, 9, 4493-4499 |
| 1549284 | CIF | C26 H44 B Co F3 N6 O4 S | P 1 21/n 1 | 10.4361; 20.2414; 15.3862 90; 91.209; 90 | 3249.5 | Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S. Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity. Chemical science, 2018, 9, 4493-4499 |
| 1549285 | CIF | C84.5 H84 B2 Cl Co F24 I N6 O3 S | P -1 | 14.2995; 16.0821; 38.551 95.079; 97.357; 97.863 | 8658.9 | Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S. Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity. Chemical science, 2018, 9, 4493-4499 |
| 1549286 | CIF | C71 H77 B2 Co F24 I N6 O6 S | P -1 | 13.018; 17.299; 19.933 69.338; 77.588; 78.279 | 4062 | Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S. Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity. Chemical science, 2018, 9, 4493-4499 |
| 1549287 | CIF | C93 H100 B2 Co F27 N8 O4 S | P b c a | 21.493; 22.3378; 38.715 90; 90; 90 | 18587 | Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S. Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity. Chemical science, 2018, 9, 4493-4499 |
| 1549288 | CIF | C28 H20 | P 21 21 21 | 8.3475; 10.314; 21.0732 90; 90; 90 | 1814.32 | Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy. Chemical science, 2018, 9, 4662-4670 |
| 1549289 | CIF | C30 H28 | P 1 21/c 1 | 18.1203; 6.99093; 19.2375 90; 112.45; 90 | 2252.27 | Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy. Chemical science, 2018, 9, 4662-4670 |
| 1549290 | CIF | C30 H24 | P 1 21/c 1 | 11.90924; 17.5617; 9.90343 90; 101.393; 90 | 2030.45 | Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy. Chemical science, 2018, 9, 4662-4670 |
| 1549291 | CIF | C30 H28 | P 1 21/n 1 | 14.1772; 10.8633; 14.2137 90; 95.1137; 90 | 2180.36 | Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy. Chemical science, 2018, 9, 4662-4670 |
| 1549292 | CIF | C30 H26 | P 1 21/c 1 | 17.4337; 6.9903; 17.935 90; 103.64; 90 | 2124 | Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy. Chemical science, 2018, 9, 4662-4670 |
| 1549293 | CIF | C30 H22 | C 1 2/c 1 | 18.2724; 19.5178; 18.301 90; 113.791; 90 | 5972.2 | Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy. Chemical science, 2018, 9, 4662-4670 |
| 1549294 | CIF | C29 H24 | P 1 21/c 1 | 7.396; 30.1314; 18.311 90; 91.801; 90 | 4078.6 | Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy. Chemical science, 2018, 9, 4662-4670 |
| 1549295 | CIF | C28 H22 | P -1 | 11.9827; 13.0612; 14.0684 117.413; 92.608; 90.268 | 1951.7 | Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy. Chemical science, 2018, 9, 4662-4670 |
| 1549296 | CIF | C36 H72 Al Cl Si3 Th | P 1 21/n 1 | 14.6013; 16.3421; 18.0401 90; 93.323; 90 | 4297.4 | Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex. Chemical science, 2018, 9, 4317-4324 |
| 1549297 | CIF | C36 H72 Al Si3 U | P -1 | 10.4534; 12.854; 17.8476 72.09; 79.893; 66.898 | 2094.82 | Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex. Chemical science, 2018, 9, 4317-4324 |
| 1549298 | CIF | C36 H73 Al Si3 Th | P 1 21/c 1 | 18.541; 12.528; 18.971 90; 105.644; 90 | 4243 | Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex. Chemical science, 2018, 9, 4317-4324 |
| 1549299 | CIF | C36 H72 Al Si3 Th | P 1 21/m 1 | 12.933; 12.816; 13.179 90; 94.46; 90 | 2178 | Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex. Chemical science, 2018, 9, 4317-4324 |
| 1549300 | CIF | C62 H88 I2 N4 O2 | P 1 21/n 1 | 14.01776; 11.68842; 18.61137 90; 97.6225; 90 | 3022.44 | Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S. Kekulé diradicaloids derived from a classical N-heterocyclic carbene. Chemical science, 2018, 9, 4970-4976 |
| 1549301 | CIF | C60 H80 N4 | P -1 | 10.4185; 10.5244; 25.1966 97.968; 90.283; 110.092 | 2565.5 | Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S. Kekulé diradicaloids derived from a classical N-heterocyclic carbene. Chemical science, 2018, 9, 4970-4976 |
| 1549302 | CIF | C70 H92 N4 O | P -1 | 9.397; 11.5574; 15.1108 70.87; 84.424; 76.36 | 1506.4 | Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S. Kekulé diradicaloids derived from a classical N-heterocyclic carbene. Chemical science, 2018, 9, 4970-4976 |
| 1549303 | CIF | C69.21 H96.87 Br2 N4 O3.22 | P 1 21/n 1 | 9.3343; 17.7848; 20.1423 90; 95.674; 90 | 3327.41 | Rottschäfer, Dennis; Neumann, Beate; Stammler, Hans-Georg; Andrada, Diego M.; Ghadwal, Rajendra S. Kekulé diradicaloids derived from a classical N-heterocyclic carbene. Chemical science, 2018, 9, 4970-4976 |
| 1549304 | CIF | C28 H18 N2 O | P 1 21/c 1 | 7.463; 23.83; 11.556 90; 101.301; 90 | 2015.3 | Zang, Qiguang; Yu, Jiayi; Yu, Wenbin; Qian, Jun; Hu, Rongrong; Tang, Ben Zhong Red-emissive azabenzanthrone derivatives for photodynamic therapy irradiated with ultralow light power density and two-photon imaging. Chemical science, 2018, 9, 5165-5171 |
| 1549305 | CIF | C28 H18 N2 O | P -1 | 7.1516; 8.5555; 16.6112 100.052; 95.016; 90.498 | 996.63 | Zang, Qiguang; Yu, Jiayi; Yu, Wenbin; Qian, Jun; Hu, Rongrong; Tang, Ben Zhong Red-emissive azabenzanthrone derivatives for photodynamic therapy irradiated with ultralow light power density and two-photon imaging. Chemical science, 2018, 9, 5165-5171 |
| 1549306 | CIF | C366 H508 Cd24 N24 O178 Tb8 | P 4/n :2 | 30.0936; 30.0936; 39.3554 90; 90; 90 | 35641.2 | Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A. A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging. Chemical science, 2018, 9, 4630-4637 |
| 1549307 | CIF | C386 H560 Cd24 N24 O190 Tb8 | F d d d :2 | 54.777; 61.944; 79.935 90; 90; 90 | 271228 | Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A. A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging. Chemical science, 2018, 9, 4630-4637 |
| 1549308 | CIF | C1714.04 H2526.4 Cd96 N96 O683.24 Tb32 | F d d d :2 | 54.621; 61.479; 100.21 90; 90; 90 | 336510 | Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A. A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging. Chemical science, 2018, 9, 4630-4637 |
| 1549309 | CIF | C386 H500 Cd24 N24 O177 Tb8 | P -4 n 2 | 42.806; 42.806; 37.886 90; 90; 90 | 69421 | Yang, Xiaoping; Wang, Shiqing; Zhang, Yali; Liang, Guang; Zhu, Ting; Zhang, Lijie; Huang, Shaoming; Schipper, Desmond; Jones, Richard A. A self-assembling luminescent lanthanide molecular nanoparticle with potential for live cell imaging. Chemical science, 2018, 9, 4630-4637 |
| 1549310 | CIF | C50 H103 K Mn O14 | P -1 | 11.5253; 16.1662; 16.7311 81.943; 88.463; 69.635 | 2892.8 | Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G. Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex. Chemical science, 2018, 9, 4524-4528 |
| 1549311 | CIF | C50 H103 K Mn O13 | P 1 21/n 1 | 11.3584; 17.2479; 29.111 90; 91.552; 90 | 5701 | Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G. Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex. Chemical science, 2018, 9, 4524-4528 |
| 1549312 | CIF | C38 H79 K Mn O5 | C 1 2/c 1 | 18.3234; 15.9361; 16.771 90; 122.093; 90 | 4148.8 | Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G. Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex. Chemical science, 2018, 9, 4524-4528 |
| 1549313 | CIF | C62 H46 B F24 Na O9 | P -1 | 14.295; 14.544; 17.347 100.67; 107.46; 105.51 | 3174 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
| 1549314 | CIF | C58 H46 B F24 Na O9 | P b c a | 19.142; 24.665; 26.029 90; 90; 90 | 12289 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
| 1549315 | CIF | C62 H52 B F30 Na O9 | P 1 21/n 1 | 20.158; 17.085; 20.698 90; 101.158; 90 | 6994 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
| 1549316 | CIF | C65 H75 B F24 Na O9 Si2 | P -1 | 13.9002; 14.0497; 21.1609 101.417; 103.6; 101.486 | 3804.07 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
| 1549317 | CIF | C46 H38 B F24 Li O9 | P 21 21 21 | 12.8768; 17.6754; 22.1097 90; 90; 90 | 5032.2 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
| 1549318 | CIF | C102 H78 B2 Cl6 F48 Na2 O18 | P -1 | 16.654; 18.497; 20.536 70.108; 83.341; 89.951 | 5903 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
| 1549319 | CIF | C50 H41.87 B Cl8 F24 Na O9 | P 1 21/c 1 | 13.0127; 19.6275; 25.4722 90; 96.246; 90 | 6467.2 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
| 1549320 | CIF | C54 H54 B F24 Na O9 | P -1 | 12.434; 12.984; 20.025 93.798; 107.54; 104.457 | 2949.7 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
| 1549332 | CIF | C8 H12 Br2 Cl3 N O | C 1 2/c 1 | 18.3209; 12.3996; 12.1068 90; 98.766; 90 | 2718.2 | Wappes, Ethan A.; Vanitcha, Avassaya; Nagib, David A. β C-H di-halogenation <i>via</i> iterative hydrogen atom transfer. Chemical science, 2018, 9, 4500-4504 |
| 1549333 | CIF | C48 H57 B N2 O | P -1 | 12.799; 13.808; 13.844 64.938; 70.414; 66.334 | 1989.3 | Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds. Chemical science, 2018, 9, 5354-5359 |
| 1549334 | CIF | C43 H68 B2 N2 O | P 1 21/n 1 | 9.499; 22.755; 19.041 90; 91.58; 90 | 4114 | Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds. Chemical science, 2018, 9, 5354-5359 |
| 1549335 | CIF | C45 H52 B Cl N2 | C 1 2/c 1 | 26.74; 9.4128; 30.763 90; 100.73; 90 | 7608 | Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds. Chemical science, 2018, 9, 5354-5359 |
| 1549336 | CIF | C51.5 H72 B2 N4 O | P -1 | 10.756; 12.715; 18.183 81.15; 87.75; 68.37 | 2284 | Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds. Chemical science, 2018, 9, 5354-5359 |
| 1549337 | CIF | C45 H51 B N2 | P 1 21/c 1 | 12.303; 12.532; 24.192 90; 100.95; 90 | 3662 | Böhnke, Julian; Brückner, Tobias; Hermann, Alexander; González-Belman, Oscar F; Arrowsmith, Merle; Jiménez-Halla, J Oscar C; Braunschweig, Holger Single and double activation of acetone by isolobal B[triple bond, length as m-dash]N and B[triple bond, length as m-dash]B triple bonds. Chemical science, 2018, 9, 5354-5359 |
| 1549338 | CIF | C19 H21 O2 S | P 1 21 1 | 6.612; 7.8997; 15.4119 90; 92.455; 90 | 804.27 | Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their <i>in situ</i> addition to carbonyl compounds. Chemical science, 2018, 9, 4992-4998 |
| 1549339 | CIF | C24 H27 B O4 | P 1 21 1 | 12.5495; 6.3424; 13.2506 90; 92.671; 90 | 1053.52 | Cheng, Fengchang; Lu, Wenxin; Huang, Wei; Wen, Lu; Li, Mingfeng; Meng, Fanke Cu-catalyzed enantioselective synthesis of tertiary benzylic copper complexes and their <i>in situ</i> addition to carbonyl compounds. Chemical science, 2018, 9, 4992-4998 |
| 1549367 | CIF | C54 H42 Co N4 O4 | P 1 21/c 1 | 14.361; 9.517; 15.449 90; 99.257; 90 | 2084 | Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex. Chemical science, 2018, 9, 4999-5007 |
| 1549368 | CIF | C62 H48 Co F N4 O4 | P c a 21 | 21.495; 13.598; 16.434 90; 90; 90 | 4803.5 | Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex. Chemical science, 2018, 9, 4999-5007 |
| 1549369 | CIF | C85 H44 Co F15 N8 O4 Sn | P 1 21/c 1 | 17.25; 13.082; 32.044 90; 96.735; 90 | 7181 | Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex. Chemical science, 2018, 9, 4999-5007 |
| 1549370 | CIF | C74 H16 F30 N8 O Sn2 | P -1 | 12.8962; 15.333; 21.248 101.533; 90.07; 106.286 | 3944.2 | Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex. Chemical science, 2018, 9, 4999-5007 |
| 1549371 | CIF | C94 H52 Co F15 N8 O5 Sn | P -1 | 15.523; 16.499; 20.024 93.436; 111.524; 102.953 | 4591.9 | Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex. Chemical science, 2018, 9, 4999-5007 |
| 1549373 | CIF | C22 H17 N O9 | P c a 21 | 7.0231; 17.534; 14.6817 90; 90; 90 | 1807.9 | Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria. Chemical science, 2018, 9, 4898-4908 |
| 1549374 | CIF | C22 H17 N O9 | P -1 | 7.0902; 7.9097; 17.33 89.561; 84.797; 74.655 | 933.2 | Panter, Fabian; Krug, Daniel; Baumann, Sascha; Müller, Rolf Self-resistance guided genome mining uncovers new topoisomerase inhibitors from myxobacteria. Chemical science, 2018, 9, 4898-4908 |
| 1549375 | CIF | C54 H33 Cl Ir N6 S2 | P 1 21/n 1 | 14.6864; 15.1284; 29.6362 90; 99.037; 90 | 6502.9 | Guan, Ruilin; Chen, Yu; Zeng, Leli; Rees, Thomas W.; Jin, Chengzhi; Huang, Juanjuan; Chen, Zhe-Sheng; Ji, Liangnian; Chao, Hui Oncosis-inducing cyclometalated iridium(iii) complexes. Chemical science, 2018, 9, 5183-5190 |
| 1549376 | CIF | C19 H13 Br F3 N O3 S | P 61 | 16.963; 16.963; 11.4256 90; 90; 120 | 2847.2 | Greenhalgh, Mark D.; Qu, Shen; Slawin, Alexandra M. Z.; Smith, Andrew D. Multiple roles of aryloxide leaving groups in enantioselective annulations employing α,β-unsaturated acyl ammonium catalysis. Chemical science, 2018, 9, 4909-4918 |
| 1549377 | CIF | C27 H42 Cl4 N2 Pd | I 41/a :2 | 27.4219; 27.4219; 15.9884 90; 90; 90 | 12022.7 | Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations Polymer Chemistry, 2018, 9, 3088 |
| 1549378 | CIF | C20 H28 Cl2 N2 Pd | P b c a | 13.5058; 13.9638; 21.6147 90; 90; 90 | 4076.4 | Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations Polymer Chemistry, 2018, 9, 3088 |
| 1549379 | CIF | C36 H46 Cl2 N2 O Pd | P n m a | 11.5645; 21.3415; 13.8095 90; 90; 90 | 3408.24 | Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations Polymer Chemistry, 2018, 9, 3088 |
| 1549380 | CIF | C28 H30 Cl2 N2 O Pd | P 1 21/n 1 | 14.0031; 17.0473; 21.8047 90; 102.678; 90 | 5078.2 | Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations Polymer Chemistry, 2018, 9, 3088 |
| 1549382 | CIF | C21 H29 N O3 S Si | P 1 21/n 1 | 11.6959; 16.06; 11.9522 90; 91.981; 90 | 2243.71 | Jayaraman, Arumugam; Misal Castro, Luis C.; Desrosiers, Vincent; Fontaine, Frédéric-Georges Metal-free borylative dearomatization of indoles: exploring the divergent reactivity of aminoborane C-H borylation catalysts. Chemical science, 2018, 9, 5057-5063 |
| 1549383 | CIF | C21 H25 B F N O4 S | P 1 21/c 1 | 10.5498; 19.255; 10.4914 90; 105.495; 90 | 2053.72 | Jayaraman, Arumugam; Misal Castro, Luis C.; Desrosiers, Vincent; Fontaine, Frédéric-Georges Metal-free borylative dearomatization of indoles: exploring the divergent reactivity of aminoborane C-H borylation catalysts. Chemical science, 2018, 9, 5057-5063 |
| 1549384 | CIF | C48 H78 Co Li2 Ni O18 | P -1 | 11.4322; 12.2773; 12.5149 103.535; 107.265; 110.653 | 1452.5 | Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V. A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules. Chemical science, 2018, 9, 4736-4745 |
| 1549385 | CIF | C48 H78 Li2 Ni2 O18 | P -1 | 11.408; 12.249; 12.519 103.477; 107.088; 110.797 | 1447.5 | Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V. A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules. Chemical science, 2018, 9, 4736-4745 |
| 1549386 | CIF | C48 H78 Li2 Mg1.07 Ni0.93 O18 | P -1 | 11.5228; 12.2661; 12.5357 103.595; 106.954; 111.073 | 1462.29 | Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V. A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules. Chemical science, 2018, 9, 4736-4745 |
| 1549387 | CIF | C48 H78 Co1.06 Li2 Mg0.94 O18 | P -1 | 11.5502; 12.2971; 12.5192 103.554; 107.079; 110.959 | 1468.06 | Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V. A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules. Chemical science, 2018, 9, 4736-4745 |
| 1549388 | CIF | C113 H184 O6 Si8 Ti4 | P 1 21/n 1 | 14.5653; 25.3532; 31.1528 90; 91.249; 90 | 11501.3 | Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N; Puschmann, Horst; Roe, S. Mark; Tizzard, Graham Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system. Chemical science, 2018, 9, 5008-5014 |
| 1549389 | CIF | C55 H92 O2 Si4 Ti2 | P 1 21/n 1 | 12.9536; 22.7968; 18.9201 90; 92.537; 90 | 5581.6 | Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N; Puschmann, Horst; Roe, S. Mark; Tizzard, Graham Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system. Chemical science, 2018, 9, 5008-5014 |
| 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 |
| 1549397 | CIF | C24 H36 N2 S Si | I 1 2/a 1 | 24.712; 8.4842; 24.907 90; 101.616; 90 | 5115 | Kulikov, Oleg V.; Siriwardane, Dumindika A.; Budhathoki-Uprety, Januka; McCandless, Gregory T.; Mahmood, Samsuddin F.; Novak, Bruce M. The secondary structures of PEG-functionalized random copolymers derived from (R)- and (S)- families of alkyne polycarbodiimides Polymer Chemistry, 2018, 9, 2759 |
| 1549398 | CIF | C54 H84 Co I3 N6 O6 S6 | P 1 21 1 | 23.057; 13.6098; 23.378 90; 110.977; 90 | 6849.8 | Luu, Quang H.; Lewis, Kyle G.; Banerjee, Anik; Bhuvanesh, Nattamai; Gladysz, John A. The robust, readily available cobalt(iii) trication [Co(NH<sub>2</sub>CHPhCHPhNH<sub>2</sub>)<sub>3</sub>]<sup>3+</sup> is a progenitor of broadly applicable chirality and prochirality sensing agents. Chemical science, 2018, 9, 5087-5099 |
| 1549399 | CIF | C30 H30 N2 O3 S | P 1 21/n 1 | 13.2526; 8.5485; 23.163 90; 97.46; 90 | 2601.9 | Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes. Chemical science, 2018, 9, 5074-5081 |
| 1549400 | CIF | C33 H32 N2 O3 S | P 21 21 21 | 9.5994; 14.7775; 19.9833 90; 90; 90 | 2834.7 | Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes. Chemical science, 2018, 9, 5074-5081 |
| 1549401 | CIF | C30 H32 N2 O3 S | P 1 21/n 1 | 14.6758; 8.1119; 22.258 90; 97.042; 90 | 2629.8 | Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes. Chemical science, 2018, 9, 5074-5081 |
| 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 |
| 1549429 | CIF | C58 H48 Br2 Cu N4 O4 | P 1 21/c 1 | 16.4411; 8.849; 18.948 90; 115.172; 90 | 2494.9 | Tonge, Christopher M.; Sauvé, Ethan R.; Paisley, Nathan R.; Heyes, Jordan E.; Hudson, Zachary M. Polymerization of acrylates based on n-type organic semiconductors using Cu(0)-RDRP Polymer Chemistry, 2018, 9, 3359 |
| 1549430 | CIF | C4 H15 B11 Br6 Si | P -1 | 7.628; 10.6903; 12.8641 83.21; 88.683; 73.76 | 1000.03 | Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion. Chemical science, 2018, 9, 5600-5607 |
| 1549431 | CIF | C14 H19 B11 Br6 Si | P b c a | 18.5845; 14.7047; 19.673 90; 90; 90 | 5376.23 | Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion. Chemical science, 2018, 9, 5600-5607 |
| 1549432 | CIF | C19 H29 B11 Br6 Cl2 Si | C 1 c 1 | 10.26054; 38.4104; 8.64061 90; 100.552; 90 | 3347.78 | Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion. Chemical science, 2018, 9, 5600-5607 |
| 1549433 | CIF | C8.5 H12.5 Cl1.5 I N O | C 1 2/c 1 | 25.6568; 9.9841; 9.988 90; 95.639; 90 | 2546.15 | Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A. Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes. Chemical science, 2018, 9, 5295-5300 |
| 1549434 | CIF | C8 H12 Br N O2 | P -1 | 7.0213; 11.7894; 12.2156 72.797; 86.293; 89.879 | 963.76 | Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A. Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes. Chemical science, 2018, 9, 5295-5300 |
| 1549435 | CIF | C21 H30 N2 O | P 1 21/n 1 | 14.727; 5.7756; 21.9219 90; 92.4149; 90 | 1862.96 | Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A. Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes. Chemical science, 2018, 9, 5295-5300 |
| 1549436 | CIF | C12 H12 I N O2 | P 1 21/c 1 | 12.8692; 8.4534; 11.4743 90; 99.0055; 90 | 1232.88 | Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A. Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes. Chemical science, 2018, 9, 5295-5300 |
| 1549437 | CIF | C13 H12 F3 I | P -1 | 5.602; 8.9978; 13.3874 95.953; 98.695; 98.785 | 653.64 | Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A. Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes. Chemical science, 2018, 9, 5295-5300 |
| 1549438 | CIF | C15 H16 O2 | P 1 21 1 | 8.6189; 8.0477; 8.6853 90; 101.24; 90 | 590.88 | Jurberg, Igor D.; Davies, Huw M. L. Blue light-promoted photolysis of aryldiazoacetates. Chemical science, 2018, 9, 5112-5118 |
| 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 |
| 1549545 | CIF | C13 H13 N O5 S | P 21 21 21 | 4.9869; 11.7644; 22.1329 90; 90; 90 | 1298.49 | Aujard-Catot, Julien; Nguyen, Michel; Bijani, Christian; Pratviel, Geneviève; Bonduelle, Colin Cd2+ coordination: an efficient structuring switch for polypeptide polymers Polymer Chemistry, 2018, 9, 4100 |
| 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 |
| 1549564 | CIF | C23 H30 N2 | P b c n | 15.5646; 7.8895; 15.9608 90; 90; 90 | 1959.9 | Walther, Patrick; Frey, Wolfgang; Naumann, Stefan Polarized olefins as enabling (co)catalysts for the polymerization of γ-butyrolactone Polymer Chemistry, 2018, 9, 3674 |
| 1549565 | CIF | C49 H46 Cl4 Os P2 Si | P 1 21/c 1 | 11.60758; 16.9798; 22.4892 90; 94.829; 90 | 4416.76 | Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen Facile synthesis of polycyclic metallaarynes. Chemical science, 2018, 9, 5994-5998 |
| 1549566 | CIF | C53 H48 Cl4 Os P2 Si | I 1 2 1 | 13.9889; 16.453; 21.3301 90; 97.273; 90 | 4869.82 | Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen Facile synthesis of polycyclic metallaarynes. Chemical science, 2018, 9, 5994-5998 |
| 1549567 | CIF | C55 H52 Cl8 Os P2 Si | P 1 21/m 1 | 11.4227; 17.2735; 13.9125 90; 102.838; 90 | 2676.46 | Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen Facile synthesis of polycyclic metallaarynes. Chemical science, 2018, 9, 5994-5998 |
| 1549568 | CIF | C36 H36 As Cl F6 N9 O6 S2 | P 1 21/c 1 | 14.2067; 15.9799; 18.6556 90; 94.05; 90 | 4224.6 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549569 | CIF | C37 H39 As F9 N9 O9 S3 | P 1 21/c 1 | 14.0065; 15.9167; 21.8331 90; 107.966; 90 | 4630.08 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549570 | CIF | C25 H19.5 N7.5 P | P 1 21/n 1 | 13.0553; 25.1646; 14.6359 90; 114.619; 90 | 4371.2 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549571 | CIF | C37 H39 F11 N9 O9 P S3 | P -1 | 13.753; 14.06; 14.321 109.504; 98.444; 111.998 | 2300 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549572 | CIF | C36 H39 F7 N9 O6 S2 Sb | P -1 | 13.1877; 13.3482; 13.4824 79.6653; 63.0215; 84.7868 | 2080.63 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549573 | CIF | C39 H42 F9 N10 O9 P S3 | P -1 | 10.8599; 10.9646; 20.3805 81.217; 83.234; 89.295 | 2381.6 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549574 | CIF | C38 H40.5 F9 N9.5 O9 S3 Sb | P -1 | 12.726; 18.899; 20.823 102.659; 97.475; 99.315 | 4750 | Swidan, Ala'aeddeen; Suter, Riccardo; Macdonald, Charles L. B.; Burford, Neil Tris(benzoimidazol)amine (L) complexes of pnictogen(iii) and pnictogen(v) cations and assessment of the [LP]<sup>3+</sup>/[LPF<sub>2</sub>]<sup>3+</sup> redox couple. Chemical science, 2018, 9, 5837-5841 |
| 1549575 | CIF | C27 H28 N4 O2 | C 1 2/c 1 | 22.679; 10.176; 21.562 90; 94.879; 90 | 4958 | Zhang, Liang; Liu, Shuya; Zhao, Zhiguo; Su, Hongmei; Hao, Jingcheng; Wang, Yao (Salen)Mn(iii)-catalyzed chemoselective acylazidation of olefins. Chemical science, 2018, 9, 6085-6090 |
| 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 |
| 1549668 | CIF | C64 H48 Br2 N2 Ni | R 3 c :H | 33.739; 33.739; 26.116 90; 90; 120 | 25746 | Fang, Jun; Sui, Xuelin; Li, Yougui; Chen, Changle Synthesis of polyolefin elastomers from unsymmetrical α-diimine nickel catalyzed olefin polymerization Polymer Chemistry, 2018, 9, 4143 |
| 1549669 | CIF | C67 H54 Br2 Cl2 N2 Ni | P 1 21/c 1 | 17.9769; 12.1378; 29.0552 90; 116.588; 90 | 5669.4 | Fang, Jun; Sui, Xuelin; Li, Yougui; Chen, Changle Synthesis of polyolefin elastomers from unsymmetrical α-diimine nickel catalyzed olefin polymerization Polymer Chemistry, 2018, 9, 4143 |
| 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 |
| 1549868 | CIF | C20 H20 Cl N3 O2 Pd | P 1 21 1 | 10.7684; 9.0383; 10.859 90; 118.567; 90 | 928.22 | Wu, Xiaolu; Yang, Zhi; Yan, Xinwen; Zhang, Pengfei; Wang, Lin; Guo, Ge; Dong, Yuping; Li, Xiaofang Polymerization of 1-chloro-2-phenylacetylene by cationic monoanionic tridentate (S,S)-bis(oxazolinylphenyl)amido-ligated palladium catalysts: is it a coordination‒insertion mechanism? Polymer Chemistry, 2018, 9, 4856 |
| 1549874 | CIF | C13 H13 N O3 | P -1 | 5.8314; 9.95; 10.2599 71.126; 76.243; 77.203 | 540.33 | Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard Poly(2-oxazoline)s with pendant cubane groups Polymer Chemistry, 2018, 9, 4840 |
| 1549875 | CIF | C24 H22 Cl N O6 | P 1 21/c 1 | 5.33701; 17.9259; 21.5579 90; 92.9404; 90 | 2059.74 | Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard Poly(2-oxazoline)s with pendant cubane groups Polymer Chemistry, 2018, 9, 4840 |
| 1549876 | CIF | C13 H14 Cl N O3 | P b c a | 9.1082; 10.2539; 25.5319 90; 90; 90 | 2384.5 | Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard Poly(2-oxazoline)s with pendant cubane groups Polymer Chemistry, 2018, 9, 4840 |
| 1549877 | CIF | C44 H37 Cl4 N6 O1.5 | R -3 c :H | 16.521; 16.521; 49.1998 90; 90; 120 | 11629.6 | Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation. Chemical science, 2018, 9, 7614-7619 |
| 1549878 | CIF | C44 H32 Cl6 N6 | C 1 c 1 | 5.7565; 25.735; 26.34 90; 91.02; 90 | 3901.5 | Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation. Chemical science, 2018, 9, 7614-7619 |
| 1549879 | CIF | C63 H60 N6 O12 S3 | P -1 | 9.9758; 14.1235; 21.6617 98.632; 94.107; 107.17 | 2861.15 | Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Rational synthesis of benzimidazole[3]arenes by Cu<sup>II</sup>-catalyzed post-macrocyclization transformation. Chemical science, 2018, 9, 7614-7619 |
| 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 |
| 1550055 | CIF | C36 H58 N4 O2 Zn | P 1 21/n 1 | 17.3189; 12.4391; 17.5819 90; 104.339; 90 | 3669.7 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550056 | CIF | C22 H30 N4 O2 Zn | P -4 21 c | 24.0631; 24.0631; 7.4652 90; 90; 90 | 4322.6 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550057 | CIF | C25.5 H30 Cl4 Mg N4 O2 | C 1 2/c 1 | 39.731; 11.9213; 23.8229 90; 99.266; 90 | 11136.4 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550058 | CIF | C23.5 H30 N4 O2 Zn | P 1 21 1 | 12.093; 14.8544; 13.2064 90; 105.887; 90 | 2281.7 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550059 | CIF | C38 H62 Mg N4 O2 | I 1 2/a 1 | 17.113; 15.0517; 29.9562 90; 90.872; 90 | 7715.22 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550060 | CIF | C36 H58 Mg N4 O2 | P 1 21/c 1 | 19.8993; 14.4435; 25.6572 90; 92.143; 90 | 7369.12 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550061 | CIF | C54 H84 N4 O2 Zn | P 1 21/n 1 | 13.4614; 11.975; 31.039 90; 90.965; 90 | 5002.8 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550062 | CIF | C47 H52 Cl8 N8 O4 Zn2 | P -1 | 11.3788; 11.6856; 21.1747 105.712; 94.301; 104.647 | 2590.97 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550063 | CIF | C38 H62 N4 O2 Zn | I 1 2/a 1 | 17.0865; 15.0333; 30.0246 90; 91.193; 90 | 7710.6 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550064 | CIF | C40 H52 Mg2 N8 O4 | P 1 21/n 1 | 9.4092; 13.8925; 14.8093 90; 95.647; 90 | 1926.4 | McKeown, Paul; McCormick, Strachan N.; Mahon, Mary F.; Jones, Matthew D. Highly active Mg(ii) and Zn(ii) complexes for the ring opening polymerisation of lactide Polymer Chemistry, 2018, 9, 5339 |
| 1550065 | CIF | C72 H92 N6 Si2 | P -1 | 10.4966; 12.3975; 13.2265 104.289; 99.208; 101.826 | 1591.78 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550066 | CIF | C156 H212 Co2 Gd2 N8 O18 P6 Si2 | P -1 | 10.3106; 14.6582; 27.9536 75.075; 86.248; 70.983 | 3858.64 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550067 | CIF | C70 H94 N4 Si2 | P -1 | 10.741; 11.0043; 15.1711 69.405; 70.878; 76.429 | 1571.4 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550068 | CIF | C87 H127 Co Gd N4 O9 P3 Si2 | C 1 c 1 | 16.25392; 38.80173; 16.36512 90; 119.106; 90 | 9017.85 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550069 | CIF | C87 H127 Co N4 O9 P3 Si2 Y | P 1 21/c 1 | 18.266; 14.9061; 33.9132 90; 104.455; 90 | 8941.4 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550070 | CIF | C74 H108 N4 O4 Si2 Zn | P 1 21/c 1 | 8.05199; 13.9466; 31.93 90; 90.63; 90 | 3585.45 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550071 | CIF | C78 H107 Co Dy N4 O9 P3 Si | P 1 21/c 1 | 19.34446; 39.8242; 20.5371 90; 90.4603; 90 | 15820.8 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550072 | CIF | C77.5 H96 Cl N7 Si2 Zn | P -1 | 13.171; 14.3764; 19.9456 90.736; 91.97; 108.933 | 3569.14 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550073 | CIF | C156 H212 Co2 N8 O18 P6 Si2 Tb2 | P -1 | 10.3082; 14.6723; 27.9524 75.061; 86.208; 71.139 | 3864.76 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550074 | CIF | C156 H212 Co2 Dy2 N8 O18 P6 Si2 | P -1 | 10.2534; 14.6267; 27.8407 75.0624; 86.2571; 71.1737 | 3817.71 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550075 | CIF | C87 H127 Co Dy N4 O9 P3 Si2 | P -1 | 16.1487; 19.0993; 30.5159 98.382; 92.063; 97.559 | 9215.9 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550076 | CIF | C88.5 H130 Cl3 Co N4 O9 P3 Si2 Tb | P 1 21/c 1 | 31.5498; 16.095; 19.4714 90; 107.306; 90 | 9439.85 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 1550077 | CIF | C89 H125 Co Dy N6 O9 P3 Si2 | P -1 | 16.1981; 23.3852; 25.473 73.821; 89.254; 86.965 | 9253.9 | Le Roy, Jennifer J.; Cremers, Jonathan; Thomlinson, Isabel A.; Slota, Michael; Myers, William K.; Horton, Peter H.; Coles, Simon J.; Anderson, Harry L.; Bogani, Lapo Tailored homo- and hetero- lanthanide porphyrin dimers: a synthetic strategy for integrating multiple spintronic functionalities into a single molecule. Chemical science, 2018, 9, 8474-8481 |
| 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 |
| 1550139 | CIF | C29 H25 N O2 Pt | C 1 2/c 1 | 46.3286; 5.1027; 20.9343 90; 114.049; 90 | 4519.3 | Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M. An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP Polymer Chemistry, 2018, 9, 5418 |
| 1550140 | CIF | C25 H21 F2 N O2 Pt | P n a 21 | 27.0937; 11.3331; 6.7354 90; 90; 90 | 2068.14 | Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M. An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP Polymer Chemistry, 2018, 9, 5418 |
| 1550141 | CIF | C25 H23 N O2 Pt | P n a 21 | 26.595; 11.416; 6.7344 90; 90; 90 | 2044.6 | Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M. An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP Polymer Chemistry, 2018, 9, 5418 |
| 1550142 | CIF | C26 H25 N O3 Pt | P 1 21/c 1 | 13.1943; 14.617; 23.1255 90; 92.449; 90 | 4455.9 | Mayder, Don M.; Thompson, Kyle A.; Christopherson, Cheyenne J.; Paisley, Nathan R.; Hudson, Zachary M. An efficient room-temperature synthesis of highly phosphorescent styrenic Pt(ii) complexes and their polymerization by ATRP Polymer Chemistry, 2018, 9, 5418 |
| 1550143 | CIF | C24 H22 N2 O4 Pd | P -1 | 8.3132; 10.841; 12.801 110.224; 92.769; 105.358 | 1031.34 | Ding, Lin; Cheng, Hailong; Li, Yanqing; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo Efficient ethylene copolymerization with polar monomers using palladium anilinonaphthoquinone catalysts Polymer Chemistry, 2018, 9, 5476 |
| 1550144 | CIF | C28 H30 N2 O2 Pd | C 1 2/c 1 | 15.029; 21.2571; 15.4985 90; 94.786; 90 | 4934.1 | Ding, Lin; Cheng, Hailong; Li, Yanqing; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo Efficient ethylene copolymerization with polar monomers using palladium anilinonaphthoquinone catalysts Polymer Chemistry, 2018, 9, 5476 |
| 1550145 | CIF | C49 H40 N2 O2 Pd | P -1 | 10.4912; 13.4734; 14.7253 94.369; 109.58; 90.382 | 1954.24 | Ding, Lin; Cheng, Hailong; Li, Yanqing; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo Efficient ethylene copolymerization with polar monomers using palladium anilinonaphthoquinone catalysts Polymer Chemistry, 2018, 9, 5476 |
| 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 |
| 1551161 | CIF | C18 H18 In N3 O8 | F d d d | 15.3069; 26.9467; 31.284 90; 90; 90 | 12903.7 | Carrington, Elliot J.; McAnally, Craig A.; Fletcher, Ashleigh J.; Thompson, Stephen P.; Warren, Mark; Brammer, Lee Solvent-switchable continuous-breathing behaviour in a diamoniod metal-organic framework and its influence on CO2 vs CH4 selectivity Nature Chemistry, 2017, 9, 882-889 |
| 1551370 | CIF | F6 K6 Mn Na3 O76 W17 | C 1 2/c 1 | 22.586; 12.292; 29.421 90; 92.34; 90 | 8161 | Roy E. Schreiber; Lothar Houben; Sharon G. Wolf; Gregory Leitus; Zhong-Ling Lang; Jorge J. Carbo; Josep M. Poblet; Ronny Neumann Real-time molecular scale observation of crystal formation Nature Chemistry, 2017, 9, 369-373 |
| 1551371 | CIF | Cs11 F12 K5 Mn2 Na2 O128 W34 | C m c e | 17.983; 18.413; 22.333 90; 90; 90 | 7395 | Roy E. Schreiber; Lothar Houben; Sharon G. Wolf; Gregory Leitus; Zhong-Ling Lang; Jorge J. Carbo; Josep M. Poblet; Ronny Neumann Real-time molecular scale observation of crystal formation Nature Chemistry, 2017, 9, 369-373 |
| 1551423 | CIF | C80 H104 Ag12 F12 N8 O16.8 S8 | I -4 2 m | 17.2768; 17.2768; 20.4482 90; 90; 90 | 6103.54 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551424 | CIF | C88 H128 Ag12 F12 N8 O12 S8 | I -4 2 m | 17.2793; 17.2793; 19.8246 90; 90; 90 | 5919.1 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551425 | CIF | C84 H108 Ag12 Cl12 F12 N8 O8 S8 | I -4 2 m | 17.1887; 17.1887; 20.4219 90; 90; 90 | 6033.7 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551426 | CIF | C82.4 H107.6 Ag12 F12 N9.2 O6 S8 | I -4 2 m | 17.3814; 17.3814; 20.0977 90; 90; 90 | 6071.78 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551427 | CIF | C83 H110 Ag12 F12 N8 O9 S8 | I -4 2 m | 17.27; 17.27; 20.04 90; 90; 90 | 5977 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551428 | CIF | C98 H140 Ag12 F12 N8 O8 S8 | I -4 2 m | 17.2498; 17.2498; 21.101 90; 90; 90 | 6278.7 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551429 | CIF | C50 H75 Ag12 F18 N7 O12 S6 | P -1 | 15.4518; 15.8621; 17.9312 91.3274; 95.0852; 94.9884 | 4358.91 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551430 | CIF | C80 H104 Ag12 F12 N8 O8 S8 | I -4 2 m | 17.34149; 17.34149; 20.1671 90; 90; 90 | 6064.8 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551431 | CIF | C80 H104 Ag12 F12 N8 O8 S8 | I -4 2 m | 17.29649; 17.29649; 19.8753 90; 90; 90 | 5946.07 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551432 | CIF | C80 H104 Ag12 F12 N8 O8 S8 | I -4 2 m | 17.33048; 17.33048; 20.251 90; 90; 90 | 6082.3 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551433 | CIF | C96 H136 Ag12 F12 N8 O16 S8 | I -4 2 m | 17.1785; 17.1785; 20.8487 90; 90; 90 | 6152.47 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551434 | CIF | C104 H128 Ag12 F12 N8 O8 S8 | I -4 2 m | 17.298; 17.298; 20.5393 90; 90; 90 | 6145.79 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551435 | CIF | C94 H120 Ag12 F12 N8 O8 S8 | I -4 2 m | 17.26652; 17.26652; 20.5352 90; 90; 90 | 6122.21 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551436 | CIF | C104 H124 Ag12 F16 N8 O8 S8 | I -4 2 m | 17.3073; 17.3073; 20.4745 90; 90; 90 | 6133 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551437 | CIF | C92 H114 Ag12 Cl2 F12 N8 O8 S8 | I -4 2 m | 17.23734; 17.23734; 20.5923 90; 90; 90 | 6118.51 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551438 | CIF | C92 H114 Ag12 Br2 F12 N8 O8 S8 | I -4 2 m | 17.2292; 17.2292; 20.5453 90; 90; 90 | 6098.8 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551439 | CIF | C92 H114 Ag12 F12 I2 N8 O8 S8 | I -4 2 m | 17.2105; 17.2105; 20.6982 90; 90; 90 | 6130.8 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551440 | CIF | C96 H124 Ag12 F12 N8 O8 S8 | I -4 2 m | 17.2348; 17.2348; 20.8923 90; 90; 90 | 6205.8 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551441 | CIF | C96 H124 Ag12 F12 N8 O8 S8 | I -4 2 m | 17.2529; 17.2529; 20.6795 90; 90; 90 | 6155.5 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551442 | CIF | C96 H124 Ag12 F12 N8 O8 S8 | I -4 2 m | 17.2603; 17.2603; 20.5849 90; 90; 90 | 6132.61 | Ren-Wu Huang; Yong-Sheng Wei; Xi-Yan Dong; Xiao-Hui Wu; Chen-Xia Du; Shuang-Quan Zang; Thomas C. W. Mak Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal-organic framework Nature Chemistry, 2017, 9, 689-697 |
| 1551483 | CIF | C336 H264 F96 Fe8 N96 Sb16 | P -1 | 25.4839; 33.5954; 37.4035 89.22; 83.44; 80.438 | 31370.6 | Ben S. Pilgrim; Derrick A. Roberts; Thorsten G. Lohr; Tanya K. Ronson; Jonathan R. Nitschke Signal transduction in a covalent post-assembly modification cascade Nature Chemistry, 2017, 9, 1276-1281 |
| 1551484 | CIF | C232 H194.5 F48 Fe4 N42.5 O24.5 P8 | P -1 | 22.2379; 22.4501; 30.1489 69.385; 86.301; 78.614 | 13810.4 | Ben S. Pilgrim; Derrick A. Roberts; Thorsten G. Lohr; Tanya K. Ronson; Jonathan R. Nitschke Signal transduction in a covalent post-assembly modification cascade Nature Chemistry, 2017, 9, 1276-1281 |
| 1551485 | CIF | C279 H244.5 As8 F48 Fe4 N37.5 O24 | C 1 2/c 1 | 53.942; 28.539; 41.2325 90; 90.231; 90 | 63475 | Ben S. Pilgrim; Derrick A. Roberts; Thorsten G. Lohr; Tanya K. Ronson; Jonathan R. Nitschke Signal transduction in a covalent post-assembly modification cascade Nature Chemistry, 2017, 9, 1276-1281 |
| 1551543 | CIF | C276 H174 Co6 P6 Te8 | C 1 2/c 1 | 29.47019; 17.3534; 38.00346 90; 103.98; 90 | 18859.6 | Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal Nature Chemistry, 2017, 9, 1170-1174 |
| 1551544 | CIF | C234 H126 Co6 P6 Te8 | R -3 m :H | 16.9985; 16.9985; 55.684 90; 90; 120 | 13934.2 | Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal Nature Chemistry, 2017, 9, 1170-1174 |
| 1551545 | CIF | C246 H126 Co6 N8 P6 Te8 | I 1 2/m 1 | 26.5695; 17.056; 21.1219 90; 104.26; 90 | 9276.9 | Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal Nature Chemistry, 2017, 9, 1170-1174 |
| 1551826 | CIF | C194 H201 Cl8 N27 O54 Zn4 | P -1 | 20.5708; 21.4332; 24.3151 92.087; 91.4; 112.299 | 9903.7 | Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles Nature Chemistry, 2017, 9, 128-134 |
| 1551827 | CIF | C55.5 H49.5 F6 N6 O6 | P -1 | 19.6706; 22.8014; 25.4507 99.269; 107.063; 106.023 | 10118.2 | Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles Nature Chemistry, 2017, 9, 128-134 |
| 1551828 | CIF | C190 H147 Cl6 F18 N20 O44 Zn3 | P -1 | 12.1557; 24.1339; 39.3371 85.206; 87.55; 75.675 | 11139.3 | Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles Nature Chemistry, 2017, 9, 128-134 |
| 1551829 | CIF | C124 H98 Cl4 F12 N10 O30 Zn2 | C 1 2 1 | 33.7737; 19.1957; 37.7788 90; 101.142; 90 | 24030.7 | Jia-Cheng Chang; Shin-Han Tseng; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Peng; Sheng-Hsien Chiu Mechanically interlocked daisy-chain-like structures as multidimensional molecular muscles Nature Chemistry, 2017, 9, 128-134 |
| 1551832 | CIF | C85.82 H25.82 B12 Cl5.46 F60 O12.99 | R -3 :H | 14.7965; 14.7965; 38.3211 90; 90; 120 | 7265.9 | Elaine A. Qian; Alex I. Wixtrom; Jonathan C. Axtell; Azin Saebi; Dahee Jung; Pavel Rehak; Yanxiao Han; Elamar Hakim Moully; Daniel Mosallaei; Sylvia Chow; Marco S. Messina; Jing Yang Wang; A. Timothy Royappa; Arnold L. Rheingold; Heather D. Maynard; Petr Kral; Alexander M. Spokoyny Atomically precise organomimetic cluster nanomolecules assembled via perfluoroaryl-thiol SNAr chemistry Nature Chemistry, 2017, 9, 333-340 |
| 1551833 | CIF | C156 H72 B12 F60 O12 | P -1 | 19.211; 19.674; 22.866 97.606; 114.089; 109.756 | 7048 | Elaine A. Qian; Alex I. Wixtrom; Jonathan C. Axtell; Azin Saebi; Dahee Jung; Pavel Rehak; Yanxiao Han; Elamar Hakim Moully; Daniel Mosallaei; Sylvia Chow; Marco S. Messina; Jing Yang Wang; A. Timothy Royappa; Arnold L. Rheingold; Heather D. Maynard; Petr Kral; Alexander M. Spokoyny Atomically precise organomimetic cluster nanomolecules assembled via perfluoroaryl-thiol SNAr chemistry Nature Chemistry, 2017, 9, 333-340 |
| 1551851 | CIF | C69 H118 N2 P4 Ti2 | P -1 | 10.838; 11.7188; 15.3855 111.957; 95.397; 103.468 | 1726.6 | Douglas P. Solowey; Manoj V. Mane,; Takashi Kurogi; Patrick J. Carroll; Brian C. Manor; Mu-Hyun Baik; Daniel J. Mindiola A new and selective cycle for dehydrogenation of linear and cyclic alkanes under mild conditions using a base metal Nature Chemistry, 2017, 9, 1126-1132 |
| 1551852 | CIF | C19 H15 P | P 1 21/c 1 | 10.1072; 9.2624; 15.2719 90; 93.254; 90 | 1427.4 | Douglas P. Solowey; Manoj V. Mane,; Takashi Kurogi; Patrick J. Carroll; Brian C. Manor; Mu-Hyun Baik; Daniel J. Mindiola A new and selective cycle for dehydrogenation of linear and cyclic alkanes under mild conditions using a base metal Nature Chemistry, 2017, 9, 1126-1132 |
| 1551889 | CIF | C29 H31 F14 N O Si | P 1 | 8.6241; 9.7969; 18.9232 80.469; 83.314; 76.243 | 1526.55 | Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals Nature Chemistry, 2017, 9, 868-873 |
| 1551890 | CIF | C33 H26 O2 S | P 1 21 1 | 29.4752; 8.8183; 37.823 90; 97.4465; 90 | 9748.1 | Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals Nature Chemistry, 2017, 9, 868-873 |
| 1551891 | CIF | C42 H46 B F18 N O2 Si | P 21 21 21 | 10.6934; 17.4932; 24.2485 90; 90; 90 | 4536 | Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals Nature Chemistry, 2017, 9, 868-873 |
| 1551908 | CIF | C15 H13 B F2 N4 | P 1 21/c 1 | 13.747; 8.8403; 12.9567 90; 114.796; 90 | 1429.4 | Hai Qian; Morgan E. Cousins; Erik H. Horak; Audrey Wakefield; Matthew D. Liptak; Ivan Aprahamian Suppression of Kasha's rule as a mechanism for fluorescent molecular rotors and aggregation-induced emission Nature Chemistry, 2017, 9, 83-87 |
| 1551977 | CIF | C44 H28 Au N4 | P -1 | 6.1691; 10.6043; 12.4939 97.479; 97.453; 99.925 | 788.51 | Sebastian Preiss; Christoph Forster; Sven Otto; Matthias Bauer; Patrick Muller; Dariush Hinderberger; Haleh Hashemi Haeri; Luca Carella; Katja Heinze Structure and reactivity of a mononuclear gold(II) complex Nature Chemistry, 2017, 9, 1249-1255 |
| 1551978 | CIF | C88 H81 B F24 Ga N2 P2 Rh | P 1 21/n 1 | 16.1707; 13.4756; 40.4746 90; 99.5199; 90 | 8698.35 | Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge Structural snapshots of concerted double E-H bond activation at a transition metal centre Nature Chemistry, 2017, 9, 1256-1262 |
| 1551979 | CIF | C87 H114 Al F37 Ga N2 O4 P2 Rh | P -1 | 15.8418; 17.8312; 19.9771 67.4818; 79.5277; 88.0398 | 5122.13 | Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge Structural snapshots of concerted double E-H bond activation at a transition metal centre Nature Chemistry, 2017, 9, 1256-1262 |
| 1551980 | CIF | C71 H91 Al F36 Ga N2 O4 P2 Rh | P -1 | 11.0613; 18.6711; 20.1393 87.3183; 84.9976; 88.3665 | 4137.67 | Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge Structural snapshots of concerted double E-H bond activation at a transition metal centre Nature Chemistry, 2017, 9, 1256-1262 |
| 1551981 | CIF | C72 H93 Al F36 Ga N2 O4 P2 Rh | P -1 | 18.3055; 20.3348; 22.683 95.335; 90.4516; 93.0358 | 8394.4 | Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge Structural snapshots of concerted double E-H bond activation at a transition metal centre Nature Chemistry, 2017, 9, 1256-1262 |
| 1551982 | CIF | C95 H119.5 Al F36.5 Ga2 N4 O4 P Rh | P -1 | 13.5818; 19.8497; 19.8951 95.6299; 90.1027; 91.1299 | 5336.67 | Joseph A. B. Abdalla; Alexa Caise; Christian P. Sindlinger; Remi Tirfoin; Amber L. Thompson; Alison J. Edwards; Simon Aldridge Structural snapshots of concerted double E-H bond activation at a transition metal centre Nature Chemistry, 2017, 9, 1256-1262 |
| 1552008 | CIF | C39 H63 Th | P 1 21/n 1 | 10.7341; 19.6772; 17.8417 90; 104.847; 90 | 3642.65 | Alasdair Formanuik; Ana-Maria Ariciu; Fabrizio Ortu; Reece Beekmeyer; Andrew Kerridge; Floriana Tuna; Eric J. L. McInnes; David P. Mills Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy Nature Chemistry, 2017, 9, 578-583 |
| 1552009 | CIF | C39 H63 U | P 1 21/n 1 | 10.7925; 19.3497; 17.8721 90; 104.314; 90 | 3616.4 | Alasdair Formanuik; Ana-Maria Ariciu; Fabrizio Ortu; Reece Beekmeyer; Andrew Kerridge; Floriana Tuna; Eric J. L. McInnes; David P. Mills Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy Nature Chemistry, 2017, 9, 578-583 |
| 1552010 | CIF | C39 H63 Cl U | P 1 21/c 1 | 20.1; 21.4218; 20.1165 90; 118.596; 90 | 7605.1 | Alasdair Formanuik; Ana-Maria Ariciu; Fabrizio Ortu; Reece Beekmeyer; Andrew Kerridge; Floriana Tuna; Eric J. L. McInnes; David P. Mills Actinide covalency measured by pulsed electron paramagnetic resonance spectroscopy Nature Chemistry, 2017, 9, 578-583 |
| 1552051 | CIF | C34 H14 Br4 N4 | P 1 21/n 1 | 11.2408; 4.6467; 25.9293 90; 99.857; 90 | 1334.36 | Wei Liu; Xin Luo; Yang Bao; Yan Peng Liu; Guo-Hong Ning; Ibrahim Abdelwahab; Linjun Li; Chang Tai Nai; Zhi Gang Hu; Dan Zhao; Bin Liu; Su Ying Quek; Kian Ping Loh A two-dimensional conjugated aromatic polymer via C-C coupling reaction Nature Chemistry, 2017, 9, 563-570 |
| 1552052 | CIF | C34 H18 N4 | P 1 21/c 1 | 3.77; 16.615; 17.088 90; 95.723; 90 | 1065 | Wei Liu; Xin Luo; Yang Bao; Yan Peng Liu; Guo-Hong Ning; Ibrahim Abdelwahab; Linjun Li; Chang Tai Nai; Zhi Gang Hu; Dan Zhao; Bin Liu; Su Ying Quek; Kian Ping Loh A two-dimensional conjugated aromatic polymer via C-C coupling reaction Nature Chemistry, 2017, 9, 563-570 |
| 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 |
| 1554620 | CIF | C24 H38 F6 Fe P Ru S3 | C m c e | 15.867; 20.073; 18.513 90; 90; 90 | 5896.4 | Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions Catalysis Science & Technology, 2019, 9, 6492 |
| 1554621 | CIF | C14 H23 Co S3 | P 1 21/c 1 | 13.1028; 8.6112; 14.2219 90; 101.551; 90 | 1572.17 | Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions Catalysis Science & Technology, 2019, 9, 6492 |
| 1554622 | CIF | C30 H43 F6 Fe P Ru S4 | P 1 21/n 1 | 14.3616; 13.9373; 16.9737 90; 99.0564; 90 | 3355.1 | Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions Catalysis Science & Technology, 2019, 9, 6492 |
| 1554623 | CIF | C26 H41 F12 Fe N P2 Ru S3 | P n m a | 11.8; 15.608; 18.603 90; 90; 90 | 3426 | Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions Catalysis Science & Technology, 2019, 9, 6492 |
| 1554624 | CIF | C48 H58 B Co Fe S3 | P n a 21 | 20.2817; 17.2944; 12.4241 90; 90; 90 | 4357.9 | Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions Catalysis Science & Technology, 2019, 9, 6492 |
| 1554625 | CIF | C47 H56 B Co Fe S3 | P n a 21 | 20.576; 16.9755; 12.0227 90; 90; 90 | 4199.4 | Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions Catalysis Science & Technology, 2019, 9, 6492 |
| 1554626 | CIF | C48 H59 B Fe Ru S3 | P 1 21/c 1 | 15.5349; 15.8332; 18.3897 90; 90.694; 90 | 4522.9 | Zhang, Yahui; Yang, Dawei; Li, Ying; Zhao, Xiangyu; Wang, Baomin; Qu, Jingping Biomimetic catalytic oxidative coupling of thiols using thiolate-bridged dinuclear metal complexes containing iron in water under mild conditions Catalysis Science & Technology, 2019, 9, 6492 |
| 1556079 | CIF | C14 H12 Br Cl N2 O4 | P 1 21 1 | 11.5652; 4.8925; 13.332 90; 92.835; 90 | 753.4 | Robins, Lori I.; Fettinger, James C.; Tinti, Dino S.; Kurth, Mark J. Selective nucleophilic chemistry in the synthesis of 5-carbamoyl-3-sulfanylmethylisoxazole-4-carboxylic acids. Journal of combinatorial chemistry, 2007, 9, 139-142 |
| 1556116 | CIF | C24.5 H26 N O4.5 S | C 1 2 1 | 25.446; 5.8028; 16.3488 90; 110.637; 90 | 2259.1 | Tanaka, Ken; Osaka, Takuya; Noguchi, Keiichi; Hirano, Masao Rhodium-catalyzed asymmetric one-pot transesterification and [2 + 2 + 2] cycloaddition leading to enantioenriched 3,3-disubstituted phthalides. Organic letters, 2007, 9, 1307-1310 |
| 1556117 | CIF | C31 H27 N O4 S | P 21 21 21 | 10.2528; 10.7389; 47.533 90; 90; 90 | 5233.6 | Tanaka, Ken; Osaka, Takuya; Noguchi, Keiichi; Hirano, Masao Rhodium-catalyzed asymmetric one-pot transesterification and [2 + 2 + 2] cycloaddition leading to enantioenriched 3,3-disubstituted phthalides. Organic letters, 2007, 9, 1307-1310 |
| 1560721 | CIF | Ca3 Ge3 O12 Zn Zr | I a -3 d | 12.5541; 12.5541; 12.5541 90; 90; 90 | 1978.59 | Su, C.; Fang, L.; Ao, L.; Chen, J.; Sun, C.; Yang, A.; Tang, Y.; Liu, L. Structure, Raman spectra and microwave dielectric properties of novel garnet-type Ca3MZrGe3O12 (M = Co, Zn) ceramics Journal of Asian Ceramic Societies, 2021, 9, 424-432 |
| 1560722 | CIF | Ca3 Co Ge3 O12 Zr | I a -3 d | 12.5199; 12.5199; 12.5199 90; 90; 90 | 1962.47 | Su, C.; Fang, L.; Ao, L.; Chen, J.; Sun, C.; Yang, A.; Tang, Y.; Liu, L. Structure, Raman spectra and microwave dielectric properties of novel garnet-type Ca3MZrGe3O12 (M = Co, Zn) ceramics Journal of Asian Ceramic Societies, 2021, 9, 424-432 |
| 1562365 | CIF | B K1.78 Na1.22 O14 Si4 U | C m c e | 15.5471; 14.3403; 11.7315 90; 90; 90 | 2615.5 | Pace, Kristen A.; Klepov, Vladislav V.; Smith, Mark D.; Williams, Travis; Morrison, Gregory; Lauterbach, Jochen A.; Misture, Scott T.; zur Loye, Hans-Conrad Hydrothermal Synthesis and Structural Investigation of a Crystalline Uranyl Borosilicate Inorganics, 2021, 9, 25 |
| 1562366 | CIF | C40.5 H34 F6 N7 O4.5 P Ru | P 1 21/c 1 | 8.431; 35.524; 13.404 90; 99.315; 90 | 3962 | Shiga, Takuya; Tachibana, Minami; Oshio, Hiroki; Nihei, Masayuki Synthesis of a Ru(II) Complex with a Naphthoquinone-Annelated Imidazole Ligand Exhibiting Proton-Responsive Redox and Luminescent Behavior Inorganics, 2021, 9, 24 |
| 1563173 | CIF | C16 H22 Cl2 N4 Ru | P 1 21/n 1 | 9.3972; 17.3629; 12.9511 90; 97.019; 90 | 2097.3 | Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Samsonenko, Denis G.; Ermakova, Ekaterina A.; Klyushova, Lyubov S.; Baykov, Sergey V.; Boyarskiy, Vadim P.; Potapov, Andrei S. Synthesis and Structural Characterization of Half-Sandwich Arene‒Ruthenium(II) Complexes with Bis(imidazol-1-yl)methane, Imidazole and Benzimidazole Inorganics, 2021, 9, 34 |
| 1563174 | CIF | C36 H52 Cl4 N8 O2 Ru2 | P 1 21/c 1 | 11.7136; 10.34; 17.0882 90; 101.06; 90 | 2031.26 | Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Samsonenko, Denis G.; Ermakova, Ekaterina A.; Klyushova, Lyubov S.; Baykov, Sergey V.; Boyarskiy, Vadim P.; Potapov, Andrei S. Synthesis and Structural Characterization of Half-Sandwich Arene‒Ruthenium(II) Complexes with Bis(imidazol-1-yl)methane, Imidazole and Benzimidazole Inorganics, 2021, 9, 34 |
| 1563175 | CIF | C17 H20 Cl2 N2 Ru | P n a 21 | 6.832; 18.2051; 13.6361 90; 90; 90 | 1696.02 | Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Samsonenko, Denis G.; Ermakova, Ekaterina A.; Klyushova, Lyubov S.; Baykov, Sergey V.; Boyarskiy, Vadim P.; Potapov, Andrei S. Synthesis and Structural Characterization of Half-Sandwich Arene‒Ruthenium(II) Complexes with Bis(imidazol-1-yl)methane, Imidazole and Benzimidazole Inorganics, 2021, 9, 34 |
| 1564427 | CIF | C50 H34 N2 | P 1 21/n 1 | 19.525; 9.546; 20.594 90; 114.38; 90 | 3496 | Han, Pengbo; Lin, Chengwei; Wang, Kaojin; Qiu, Yanping; Wu, Haozhong; Qin, Anjun; Ma, Dongge; Tang, Ben Zhong Aggregation-induced emission luminogen with excellent triplet-triplet upconversion efficiency for highly efficient non-doped blue organic light-emitting diodes. Materials horizons, 2022, 9, 376-382 |
| 1564545 | CIF | C19 H24 N3 O7 V | P -1 | 10.8226; 10.9399; 17.3389 79.412; 78.905; 86.861 | 1979.82 | Sahu, Gurunath; Tiekink, Edward R. T.; Dinda, Rupam Study of DNA Interaction and Cytotoxicity Activity of Oxidovanadium(V) Complexes with ONO Donor Schiff Base Ligands Inorganics, 2021, 9, 66 |
| 1564683 | CIF | C21 H18 | P -1 | 8.321; 9.678; 9.879 94.541; 96.864; 94.634 | 784.1 | Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence. Materials horizons, 2022, 9, 368-375 |
| 1564684 | CIF | C21 H17 Br | P 1 21/c 1 | 8.773; 9.273; 20.333 90; 90.317; 90 | 1654.1 | Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence. Materials horizons, 2022, 9, 368-375 |
| 1564685 | CIF | C21 H15 F3 | P c a 21 | 31.9; 8.761; 5.796 90; 90; 90 | 1620 | Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence. Materials horizons, 2022, 9, 368-375 |
| 1564686 | CIF | C21 H14 Br F3 | P 1 21/c 1 | 13.672; 7.976; 16.909 90; 99.786; 90 | 1817.1 | Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence. Materials horizons, 2022, 9, 368-375 |
| 1564687 | CIF | C21 H16 Br2 | P 1 21/c 1 | 12.88; 8.745; 18.874 90; 121.39; 90 | 1815 | Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence. Materials horizons, 2022, 9, 368-375 |
| 1564688 | CIF | C21 H13 Br2 F3 | P 1 21/c 1 | 16.448; 6.0973; 19.528 90; 105.073; 90 | 1891.1 | Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence. Materials horizons, 2022, 9, 368-375 |
| 1564848 | CIF | C17 H22 Cu N4 O10 S2 | C m c 21 | 23.4161; 13.2985; 7.2391 90; 90; 90 | 2254.25 | Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A. Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes Inorganics, 2021, 9, 69 |
| 1564849 | CIF | C22 H24 Cu N2 O8 S2 | I 1 2/a 1 | 11.5109; 21.0713; 20.3473 90; 98.719; 90 | 4878.2 | Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A. Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes Inorganics, 2021, 9, 69 |
| 1564850 | CIF | C14 H20 Cu N2 O12 S2 | P 1 21/c 1 | 8.3226; 16.3127; 7.228 90; 100.912; 90 | 963.56 | Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A. Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes Inorganics, 2021, 9, 69 |
| 1564851 | CIF | C17 H18 Cu N4 O8 S2 | P n m a | 7.141; 23.8599; 12.48922 90; 90; 90 | 2127.96 | Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A. Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes Inorganics, 2021, 9, 69 |
| 1565020 | CIF | C83 H89 F4 N9 O3 S2 Se2 | P -1 | 11.7514; 17.3977; 19.925 102.675; 98.649; 99.031 | 3852.2 | Qi, Feng; Jones, Leighton O.; Jiang, Kui; Jang, Sei-Hum; Kaminsky, Werner; Oh, Jiyeon; Zhang, Hongna; Cai, Zongwei; Yang, Changduk; Kohlstedt, Kevin L.; Schatz, George C.; Lin, Francis R.; Marks, Tobin J.; Jen, Alex K.-Y. Regiospecific <i>N</i>-alkyl substitution tunes the molecular packing of high-performance non-fullerene acceptors. Materials horizons, 2022, 9, 403-410 |
| 1565021 | CIF | C88 H99 F4 N9 O3 S2 Se2 | C 1 2/c 1 | 18.8244; 29.3244; 31.439 90; 95.951; 90 | 17261.2 | Qi, Feng; Jones, Leighton O.; Jiang, Kui; Jang, Sei-Hum; Kaminsky, Werner; Oh, Jiyeon; Zhang, Hongna; Cai, Zongwei; Yang, Changduk; Kohlstedt, Kevin L.; Schatz, George C.; Lin, Francis R.; Marks, Tobin J.; Jen, Alex K.-Y. Regiospecific <i>N</i>-alkyl substitution tunes the molecular packing of high-performance non-fullerene acceptors. Materials horizons, 2022, 9, 403-410 |
| 1565022 | CIF | C81 H85 F4 N9 O2 S2 Se2 | P 1 21/c 1 | 13.938; 52.166; 31.942 90; 99.927; 90 | 22877 | Qi, Feng; Jones, Leighton O.; Jiang, Kui; Jang, Sei-Hum; Kaminsky, Werner; Oh, Jiyeon; Zhang, Hongna; Cai, Zongwei; Yang, Changduk; Kohlstedt, Kevin L.; Schatz, George C.; Lin, Francis R.; Marks, Tobin J.; Jen, Alex K.-Y. Regiospecific <i>N</i>-alkyl substitution tunes the molecular packing of high-performance non-fullerene acceptors. Materials horizons, 2022, 9, 403-410 |
| 1565099 | CIF | Bi0.875 Cr0.875 O3 Pb0.125 V0.125 | C 1 2/c 1 | 9.531; 5.495; 9.53 90; 108.848; 90 | 472.4 | Yamamoto, H.; Aizawa, H.; Yamada, I.; Toda, K.; Tanaka, A.; Azuma, M.; Sakai, Y.; Nishikubo, T.; Kimura, H. Crystal structures and electronic states of high-pressure synthesized (1-x)PbVO3-xBiCrO3 solid solutions : 7/8BiCrO3-1/8PbVO3 monoclinic phase at room temperature Journal of Asian Ceramic Societies, 2021, 9, 1147-1153 |
| 1565100 | CIF | Bi0.125 Cr0.125 O3 Pb0.875 V0.875 | P m -3 m | 3.9387; 3.9387; 3.9387 90; 90; 90 | 61.102 | Yamamoto, H.; Aizawa, H.; Yamada, I.; Toda, K.; Tanaka, A.; Azuma, M.; Sakai, Y.; Nishikubo, T.; Kimura, H. Crystal structures and electronic states of high-pressure synthesized (1-x)PbVO3-xBiCrO3 solid solutions : 7/8PbVO3-1/8BiCrO3 cubic phase at 700 C Journal of Asian Ceramic Societies, 2021, 9, 1147-1153 |
| 1565101 | CIF | Bi0.125 Cr0.125 O3 Pb0.875 V0.875 | P 4 m m | 3.8484; 3.8484; 4.48551 90; 90; 90 | 66.431 | Yamamoto, H.; Aizawa, H.; Yamada, I.; Toda, K.; Tanaka, A.; Azuma, M.; Sakai, Y.; Nishikubo, T.; Kimura, H. Crystal structures and electronic states of high-pressure synthesized (1-x)PbVO3-xBiCrO3 solid solutions : 7/8PbVO3-1/8BiCrO3 tetragonal phase at 700 C Journal of Asian Ceramic Societies, 2021, 9, 1147-1153 |
| 1565102 | CIF | Bi0.125 Cr0.125 O3 Pb0.875 V0.875 | P 4 m m | 3.83568; 3.83568; 4.449 90; 90; 90 | 65.4557 | Yamamoto, H.; Aizawa, H.; Yamada, I.; Toda, K.; Tanaka, A.; Azuma, M.; Sakai, Y.; Nishikubo, T.; Kimura, H. Crystal structures and electronic states of high-pressure synthesized (1-x)PbVO3-xBiCrO3 solid solutions : 7/8PbVO3-1/8BiCrO3 tetragonal phase at room temperature Journal of Asian Ceramic Societies, 2021, 9, 1147-1153 |
| 1565122 | CIF | C30 H28 S2 | P 1 | 6.0023; 8.1084; 24.3715 98.319; 94.455; 92.83 | 1167.9 | Sumitomo, Kenta; Sudo, Yuta; Kanazawa, Kiseki; Kawabata, Kohsuke; Takimiya, Kazuo Enantiopure 2-(2-ethylhexyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophenes: synthesis, single-crystal structure and a surprising lack of influence of stereoisomerism on thin-film structure and electronic properties. Materials horizons, 2022, 9, 444-451 |
| 1565123 | CIF | C30 H28 S2 | P 1 | 6.0173; 8.1041; 24.3262 98.542; 94.452; 92.932 | 1167.2 | Sumitomo, Kenta; Sudo, Yuta; Kanazawa, Kiseki; Kawabata, Kohsuke; Takimiya, Kazuo Enantiopure 2-(2-ethylhexyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophenes: synthesis, single-crystal structure and a surprising lack of influence of stereoisomerism on thin-film structure and electronic properties. Materials horizons, 2022, 9, 444-451 |
| 1565386 | CIF | Al2.69 B50 | C m m a | 12.661; 12.337; 5.0928 90; 90; 90 | 795.5 | Zheng, Xu; Yan, Dayu; Yi, Changjiang; Zhu, Jinlong; Zhang, Qinghua; Zhai, Junyi; Ma, Teng; Zhu, Pinwen; Li, Hui; Gu, Lin; Zhao, Yusheng; Yao, Yugui; Shi, Youguo; Yu, Xiaohui; Jin, Changqing The discovery of a superhard P-type transparent semiconductor: Al<sub>2.69</sub>B<sub>50</sub>. Materials horizons, 2022, 9, 748-755 |
| 1565433 | CIF | C48 H41 Cl9 N6 | P -1 | 8.1464; 11.8837; 25.5753 83.931; 83.143; 86.209 | 2440.85 | He, Jian-Li; Tang, Yukun; Zhang, Kai; Zhao, Yue; Lin, Yu-Ching; Hsu, Chih-Kai; Chen, Chia-Hsun; Chiu, Tien-Lung; Lee, Jiun-Haw; Wang, Chuan-Kui; Wu, Chung-Chih; Fan, Jian An extended π-backbone for highly efficient near-infrared thermally activated delayed fluorescence with enhanced horizontal molecular orientation. Materials horizons, 2022, 9, 772-779 |
| 1565826 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.91895; 9.91895; 9.91895 90; 90; 90 | 975.882 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1565827 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.91895; 9.91895; 9.91895 90; 90; 90 | 975.882 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1565828 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.91977; 9.91977; 9.91977 90; 90; 90 | 976.124 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1565829 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.91977; 9.91977; 9.91977 90; 90; 90 | 976.124 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1565830 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.9045; 9.9045; 9.9045 90; 90; 90 | 971.623 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1565831 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.9045; 9.9045; 9.9045 90; 90; 90 | 971.623 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1565832 | CIF | C30 H14 N4 S2 | P -1 | 7.3775; 9.3783; 9.4318 61.214; 89.717; 73.611 | 542 | Jiang, Hui; Ye, Jun; Hu, Peng; Zhu, Shengli; Liang, Yanqin; Cui, Zhenduo; Kloc, Christian; Hu, Wenping Growth direction dependent separate-channel charge transport in the organic weak charge-transfer co-crystal of anthracene-DTTCNQ. Materials horizons, 2022, 9, 1057-1067 |
| 1565846 | CIF Paper | C54 H58 Cl3 O11 Rb | P -1 | 13.44; 14.3933; 14.8036 84.073; 76.728; 62.777 | 2478.47 | Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I) IUCrJ, 2022, 9, 43-48 |
| 1565847 | CIF | C55 H53 Cl9 Cs O10 | P 1 21/n 1 | 13.1773; 20.344; 22.581 90; 106.172; 90 | 5814 | Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I) IUCrJ, 2022, 9, 43-48 |
| 1565848 | CIF | C53 H55 Cl3 Cs2 O11 | P 1 21/c 1 | 13.166; 31.338; 14.278 90; 117.28; 90 | 5236 | Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung; Park, In-Hyeok Regioisomers of singly bridged calix[6]crown-6 and their heavy alkali metal complexes: a molecular baseball glove for caesium(I) IUCrJ, 2022, 9, 43-48 |
| 1565849 | CIF Paper | Cu H10 O9 S | P -1 | 5.9523; 6.1001; 10.647 77.308; 82.353; 72.64 | 359.02 | Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J. Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate IUCrJ, 2022, 9, 73-85 |
| 1565850 | CIF | Cu H10 O9 S | P -1 | 5.9523; 6.1001; 10.647 77.308; 82.353; 72.64 | 359.02 | Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J. Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate IUCrJ, 2022, 9, 73-85 |
| 1565851 | CIF | Cu H10 O9 S | P -1 | 5.9523; 6.1001; 10.647 77.308; 82.353; 72.64 | 359.016 | Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J. Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate IUCrJ, 2022, 9, 73-85 |
| 1565852 | CIF | Cu H10 O9 S | P -1 | 5.9523; 6.1001; 10.647 77.308; 82.353; 72.64 | 359.016 | Novelli, Giulia; Kamenev, Konstantin V.; Maynard-Casely, Helen E.; Parsons, Simon; McIntyre, Garry J. Use of a miniature diamond-anvil cell in a joint X-ray and neutron high-pressure study on copper sulfate pentahydrate IUCrJ, 2022, 9, 73-85 |
| 1565853 | CIF Paper | C73 H100 O6 | P 1 21/c 1 | 16.252; 23.5373; 17.2102 90; 101.773; 90 | 6444.9 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565854 | CIF Paper | C66 H84 O6 | P -1 | 9.59; 18.199; 18.547 114.31; 91.36; 91.7 | 2946 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565855 | CIF Paper | C70 H92 Cl8 O6 | P -1 | 13.8727; 16.0717; 17.6177 77.127; 66.915; 76.404 | 3474.5 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565856 | CIF Paper | C68 H88 Cl4 O6 | P -1 | 12.261; 17.2425; 17.417 118.625; 92.647; 98.062 | 3172.8 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565857 | CIF Paper | C84 H102 O6 | P -1 | 13.5391; 14.7702; 19.045 80.68; 72.393; 78.191 | 3532.8 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565858 | CIF Paper | C69 H90 Cl6 O6 | P 1 21/c 1 | 17.8792; 19.6559; 18.9669 90; 96.732; 90 | 6619.6 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565859 | CIF Paper | C72 H96 O6 | P 1 21/n 1 | 17.2109; 18.2986; 19.6172 90; 94.521; 90 | 6158.9 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565860 | CIF Paper | C73 H92 O6 | P 1 21/n 1 | 17.1817; 18.7393; 19.4157 90; 95.843; 90 | 6218.9 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565861 | CIF Paper | C69 H90 O8 | P 1 21/n 1 | 17.0366; 18.4996; 19.762 90; 94.288; 90 | 6210.96 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565862 | CIF Paper | C70 H92 O7 | P 1 21/n 1 | 17.1261; 17.8832; 19.8489 90; 93.914; 90 | 6064.9 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565863 | CIF Paper | C73 H92 O7 | P -1 | 14.1349; 16.1763; 17.0355 83.979; 72.392; 73.292 | 3555.3 | Malinska, Maura Insights into molecular recognition from the crystal structures of <i>p-tert</i>-butylcalix[6]arene complexed with different solvents IUCrJ, 2022, 9, 55-64 |
| 1565864 | CIF Paper | C4 H2 Cl N5 | P 21 21 21 | 7.0651; 8.7859; 10.0906 90; 90; 90 | 626.36 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565865 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0604; 8.78; 10.0712 90; 90; 90 | 624.32 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565866 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0533; 8.7742; 10.0552 90; 90; 90 | 622.29 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565867 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0476; 8.7682; 10.0363 90; 90; 90 | 620.19 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565868 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0422; 8.7617; 10.0158 90; 90; 90 | 617.99 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565869 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0473; 8.7636; 10.0299 90; 90; 90 | 619.44 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565870 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0342; 8.7569; 10.0049 90; 90; 90 | 616.28 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565871 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0336; 8.7575; 10.0065 90; 90; 90 | 616.37 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565872 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0291; 8.7539; 9.9932 90; 90; 90 | 614.902 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565873 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0245; 8.7517; 9.9817 90; 90; 90 | 613.638 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565874 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0753; 8.7825; 10.099 90; 90; 90 | 627.5 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565875 | CIF | C4 H2 Cl N5 | P 21 21 21 | 6.934; 8.7568; 10.029 90; 90; 90 | 609 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565876 | CIF | C4 H2 Cl N5 | P n m a | 10.697; 6.2545; 8.8012 90; 90; 90 | 588.8 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565877 | CIF | C4 H2 Cl N5 | P n m a | 10.654; 6.1954; 8.7823 90; 90; 90 | 579.68 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565878 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0542; 8.7774; 10.1041 90; 90; 90 | 625.62 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565879 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0733; 8.7965; 10.042 90; 90; 90 | 624.8 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565880 | CIF | C4 H2 Cl N5 | P 21 21 21 | 6.9987; 8.774; 10.0863 90; 90; 90 | 619.37 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565881 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.005; 8.7554; 10.086 90; 90; 90 | 618.6 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565882 | CIF | C4 H2 Cl N5 | P 21 21 21 | 7.0156; 8.7539; 10.0529 90; 90; 90 | 617.39 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565883 | CIF | C4 H2 Cl N5 | P 21 21 21 | 6.9235; 8.7578; 10.0265 90; 90; 90 | 607.95 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565884 | CIF | C4 H2 Cl N5 | P n m a | 10.668; 6.2042; 8.78 90; 90; 90 | 581.1 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565885 | CIF | C4 H2 Cl N5 | P 1 21/c 1 | 7.878; 13.2446; 5.7134 90; 101.14; 90 | 584.9 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565886 | CIF | C4 H2 Cl N5 | P 1 21/c 1 | 7.885; 13.2116; 5.6949 90; 101.2; 90 | 582 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565887 | CIF | C4 H2 Cl N5 | P 1 21/c 1 | 7.864; 13.1668; 5.6843 90; 101.159; 90 | 577.4 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565888 | CIF | C4 H2 Cl N5 | P 1 21/c 1 | 7.824; 13.1476; 5.6603 90; 101.05; 90 | 571.5 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565889 | CIF | C4 H2 Cl N5 | P 1 21/c 1 | 7.824; 13.0789; 5.629 90; 100.793; 90 | 565.8 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565890 | CIF | C4 H2 Cl N5 | P 1 21/c 1 | 7.836; 12.9703; 5.5885 90; 100.542; 90 | 558.4 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565891 | CIF | C4 H2 Cl N5 | P 1 21/c 1 | 7.808; 12.9522; 5.5722 90; 100.54; 90 | 554 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565892 | CIF | C4 H2 Cl N5 | P 1 21/c 1 | 7.756; 12.7163; 5.468 90; 100.006; 90 | 531.1 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure IUCrJ, 2022, 9, 49-54 |
| 1565934 | CIF | H2 Mg O5 S | C 1 2/c 1 | 6.8611; 7.6716; 7.6014 90; 117.787; 90 | 353.97 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565935 | CIF | H2 Mg O5 S | C 1 2/c 1 | 6.856; 7.6675; 7.6008 90; 117.821; 90 | 353.38 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565936 | CIF | Fe0 H2 Mg O5 S | C 1 2/c 1 | 6.8648; 7.6684; 7.6055 90; 117.792; 90 | 354.18 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565937 | CIF | Fe0 H2 Mg O5 S | C 1 2/c 1 | 6.8717; 7.6629; 7.6098 90; 117.833; 90 | 354.35 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565938 | CIF | Fe0 H2 Mg O5 S | C 1 2/c 1 | 6.8815; 7.6534; 7.6172 90; 117.884; 90 | 354.6 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565939 | CIF | Fe0 H2 Mg O5 S | C 1 2/c 1 | 6.8937; 7.6466; 7.6275 90; 117.943; 90 | 355.2 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565940 | CIF | Fe0 H2 Mg O5 S | C 1 2/c 1 | 6.907; 7.6356; 7.6373 90; 118.021; 90 | 355.57 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565941 | CIF | Fe0 H2 Mg O5 S | C 1 2/c 1 | 6.9227; 7.6212; 7.6488 90; 118.112; 90 | 355.94 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565942 | CIF | Fe H2 O5 S | C 1 2/c 1 | 7.0304; 7.5789; 7.7374 90; 118.314; 90 | 362.95 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565943 | CIF | Fe H2 O5 S | C 1 2/c 1 | 7.032; 7.5783; 7.7396 90; 118.328; 90 | 363.06 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565944 | CIF | Fe H2 O5 S | C 1 2/c 1 | 7.0337; 7.5789; 7.7406 90; 118.325; 90 | 363.23 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565945 | CIF | Fe H2 Mg0 O5 S | C 1 2/c 1 | 7.0404; 7.5756; 7.745 90; 118.368; 90 | 363.48 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565946 | CIF | Fe H2 Mg0 O5 S | C 1 2/c 1 | 7.0482; 7.5706; 7.7498 90; 118.404; 90 | 363.74 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565947 | CIF | Fe H2 Mg0 O5 S | C 1 2/c 1 | 7.058; 7.5663; 7.7576 90; 118.454; 90 | 364.23 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565948 | CIF | Fe H2 Mg0 O5 S | C 1 2/c 1 | 7.0696; 7.562; 7.7669 90; 118.515; 90 | 364.85 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565949 | CIF | Fe H2 Mg0 O5 S | C 1 2/c 1 | 7.0802; 7.5565; 7.7755 90; 118.579; 90 | 365.31 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565950 | CIF | Fe H2 Mg0 O5 S | C 1 2/c 1 | 7.0923; 7.5523; 7.7848 90; 118.648; 90 | 365.93 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565951 | CIF | Co H2 O5 S | C 1 2/c 1 | 6.9143; 7.629; 7.5815 90; 118.191; 90 | 352.48 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
| 1565952 | CIF | Co H2 O5 S | C 1 2/c 1 | 6.9142; 7.6267; 7.581 90; 118.179; 90 | 352.38 | Wildner, Manfred; Zakharov, Boris A.; Bogdanov, Nikita E.; Talla, Dominik; Boldyreva, Elena V.; Miletich, Ronald Crystallography relevant to Mars and Galilean icy moons: crystal behavior of kieserite-type monohydrate sulfates at extraterrestrial conditions down to 15 K IUCrJ, 2022, 9, 194-203 |
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