Crystallography Open Database
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Searching journal of publication like 'Chemical Science' volume of publication is 12
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1559636 | CIF | C32 H33 N3 O2 S | I 1 2/a 1 | 18.90952; 10.14583; 28.4275 90; 93.3559; 90 | 5444.54 | Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines. Chemical science, 2020, 12, 1479-1485 |
| 1559637 | CIF | C32 H33 N3 O2 S | P -1 | 10.9678; 15.3212; 17.9064 111.225; 98.183; 98.485 | 2710.92 | Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines. Chemical science, 2020, 12, 1479-1485 |
| 1559638 | CIF | C26 H25 N3 O2 | I b a 2 | 18.50216; 21.27952; 10.92519 90; 90; 90 | 4301.43 | Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines. Chemical science, 2020, 12, 1479-1485 |
| 1559639 | CIF | C25 H24 N2 | P b c a | 21.3021; 7.7181; 23.5444 90; 90; 90 | 3871 | Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines. Chemical science, 2020, 12, 1479-1485 |
| 1559640 | CIF | C52 H33 Cl2 N O | P 1 21/n 1 | 9.2787; 14.567; 28.3208 90; 96.297; 90 | 3804.8 | Wu, Lin; Wang, Kai; Wang, Cheng; Fan, Xiao-Chun; Shi, Yi-Zhong; Zhang, Xiang; Zhang, Shao-Li; Ye, Jun; Zheng, Cai-Jun; Li, Yan-Qing; Yu, Jia; Ou, Xue-Mei; Zhang, Xiao-Hong Using fluorene to lock electronically active moieties in thermally activated delayed fluorescence emitters for high-performance non-doped organic light-emitting diodes with suppressed roll-off. Chemical science, 2020, 12, 1495-1502 |
| 1559641 | CIF | C51 H33 N O | P -1 | 12.0934; 13.1272; 13.4509 118.019; 90.255; 105.741 | 1792.4 | Wu, Lin; Wang, Kai; Wang, Cheng; Fan, Xiao-Chun; Shi, Yi-Zhong; Zhang, Xiang; Zhang, Shao-Li; Ye, Jun; Zheng, Cai-Jun; Li, Yan-Qing; Yu, Jia; Ou, Xue-Mei; Zhang, Xiao-Hong Using fluorene to lock electronically active moieties in thermally activated delayed fluorescence emitters for high-performance non-doped organic light-emitting diodes with suppressed roll-off. Chemical science, 2020, 12, 1495-1502 |
| 1559642 | CIF | C40 H41 Fe N13 O14 | P -1 | 10.01048; 13.6732; 17.5596 73.5259; 85.7741; 69.1588 | 2153.01 | Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053 |
| 1559643 | CIF | C40 H41 Fe N13 O14 | P -1 | 13.5851; 18.7551; 19.6424 64.608; 71.048; 71.168 | 4176.3 | Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053 |
| 1559644 | CIF | C40 H41 Fe N13 O14 | P -1 | 9.99242; 13.64829; 17.4977 73.5796; 85.7654; 69.0385 | 2136.52 | Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053 |
| 1559645 | CIF | C40 H41 Fe N13 O14 | P -1 | 9.9614; 13.577; 17.271 103.019; 94.103; 111.28 | 2090.2 | Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053 |
| 1559646 | CIF | C40 H41 Fe N13 O14 | P -1 | 9.9719; 13.5419; 17.0957 76.716; 85.858; 110.386 | 2076.54 | Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053 |
| 1559647 | CIF | C40 H41 Fe N13 O14 | P -1 | 9.9677; 13.5502; 17.0822 76.876; 85.729; 110.376 | 2076.34 | Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053 |
| 1559648 | CIF | C40 H41 Fe N13 O14 | P -1 | 9.9726; 13.6198; 17.4815 73.5194; 85.7393; 69.1085 | 2126.23 | Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053 |
| 1559649 | CIF | C40 H41 Fe N13 O14 | P -1 | 9.9402; 13.5461; 17.384 73.959; 85.95; 68.735 | 2095.3 | Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053 |
| 1559650 | CIF | C40 H41 Fe N13 O14 | P -1 | 10.008; 13.653; 17.13 76.955; 85.823; 110.551 | 2105.2 | Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053 |
| 1559651 | CIF | C40 H41 Fe N13 O14 | P -1 | 13.5877; 18.7535; 19.6264 64.662; 71.098; 71.086 | 4174.4 | Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053 |
| 1559652 | CIF | C40 H41 Fe N13 O14 | P -1 | 9.9953; 13.6057; 17.1602 76.844; 85.77; 110.502 | 2098.13 | Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053 |
| 1559653 | CIF | C40 H41 Fe N13 O14 | P -1 | 13.63358; 18.8075; 19.6686 64.7142; 71.0809; 71.0628 | 4210.47 | Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M. Interplay between spin crossover and proton migration along short strong hydrogen bonds. Chemical science, 2020, 12, 1038-1053 |
| 1559654 | CIF | C31 H53 N O3 Si | P 21 21 21 | 13.1243; 15.2075; 16.3433 90; 90; 90 | 3261.92 | Homma, Chihiro; Takeshima, Aika; Kano, Taichi; Maruoka, Keiji Construction of chiral α-<i>tert</i>-amine scaffolds <i>via</i> amine-catalyzed asymmetric Mannich reactions of alkyl-substituted ketimines. Chemical science, 2020, 12, 1445-1450 |
| 1559655 | CIF | C17 H14 O4 | P 1 21/n 1 | 8.047; 11.508; 14.43 90; 90.23; 90 | 1336.3 | Gollapelli, Krishna Kumar; Patil, Vaibhav B.; Vinaykumar, Allam; Chegondi, Rambabu Rh(i)-catalyzed stereoselective desymmetrization of prochiral cyclohexadienones <i>via</i> highly <i>exo</i>-selective Huisgen-type [3 + 2] cycloaddition. Chemical science, 2020, 12, 1544-1550 |
| 1559656 | CIF | C51 H52 Dy N5 O8 P2 S3 | P 1 21/m 1 | 10.081; 24.946; 11.246 90; 107.46; 90 | 2697.8 | Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Jia, Jia-Ge; Zheng, Li-Min Thermo- and light-triggered reversible interconversion of dysprosium-anthracene complexes and their responsive optical, magnetic and dielectric properties. Chemical science, 2020, 12, 929-937 |
| 1559657 | CIF | C51 H52 Dy N5 O8 P2 S3 | P -1 | 9.592; 11.701; 26.2 90.03; 91.86; 112.38 | 2717 | Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Jia, Jia-Ge; Zheng, Li-Min Thermo- and light-triggered reversible interconversion of dysprosium-anthracene complexes and their responsive optical, magnetic and dielectric properties. Chemical science, 2020, 12, 929-937 |
| 1559664 | CIF | In Li3 P2 | I 41/a c d :2 | 12.0065; 12.0065; 23.9165 90; 90; 90 | 3447.71 | Restle, Tassilo M. F.; Deringer, Volker L.; Meyer, Jan; Raudaschl-Sieber, Gabriele; Fässler, Thomas F Supertetrahedral polyanionic network in the first lithium phosphidoindate Li<sub>3</sub>InP<sub>2</sub> - structural similarity to Li<sub>2</sub>SiP<sub>2</sub> and Li<sub>2</sub>GeP<sub>2</sub> and dissimilarity to Li<sub>3</sub>AlP<sub>2</sub> and Li<sub>3</sub>GaP<sub>2</sub>. Chemical science, 2020, 12, 1278-1285 |
| 1559665 | CIF | C26 H30 B11 P | P 1 21/c 1 | 14.029; 9.9593; 20.562 90; 92.648; 90 | 2869.8 | Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science, 2020, 12, 1745-1749 |
| 1559666 | CIF | C62 H75 B11 N3 P | P -1 | 14.553; 14.829; 15.99 69.051; 79.173; 70.065 | 3021 | Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science, 2020, 12, 1745-1749 |
| 1559667 | CIF | C58 H67 B11 N3 P | P -1 | 11.524; 14.772; 20.643 77.743; 77.242; 71.242 | 3207.1 | Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science, 2020, 12, 1745-1749 |
| 1559668 | CIF | C36 H41 B11 N P | P 1 21/n 1 | 11.512; 22.661; 14.8847 90; 95.426; 90 | 3865.6 | Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science, 2020, 12, 1745-1749 |
| 1559669 | CIF | C54 H65 B11 N O2 P | P -1 | 13.061; 13.363; 17.006 91.902; 112.387; 107.918 | 2572.9 | Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science, 2020, 12, 1745-1749 |
| 1559670 | CIF | C56 H63 B11 N3 P | P 1 21/c 1 | 15.0697; 14.0752; 29.446 90; 98.86; 90 | 6171.2 | Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science, 2020, 12, 1745-1749 |
| 1559671 | CIF | C51 H55 B11 N O2 P | P 1 21/c 1 | 12.189; 21.845; 22.102 90; 102.623; 90 | 5743 | Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science, 2020, 12, 1745-1749 |
| 1559672 | CIF | C78 H91 B11 N3 O2 P | P -1 | 14.84; 15.233; 17.153 78.44; 77.68; 74.344 | 3605.4 | Zhang, Jian; Xie, Zuowei Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template. Chemical science, 2020, 12, 1745-1749 |
| 1559673 | CIF | C14 H11 N O2 | P 1 21/n 1 | 5.0451; 13.6147; 15.6358 90; 93.956; 90 | 1071.43 | Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products. Chemical science, 2020, 12, 1528-1534 |
| 1559674 | CIF | C14 H10 Cl N O2 | P 1 21/n 1 | 8.6415; 14.2584; 9.2288 90; 97.831; 90 | 1126.51 | Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products. Chemical science, 2020, 12, 1528-1534 |
| 1559675 | CIF | C21 H15 N O2 | P -1 | 10.184; 11.0563; 14.3733 69.266; 87.583; 89.765 | 1512.13 | Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products. Chemical science, 2020, 12, 1528-1534 |
| 1559727 | CIF | C58 H60 B2 F24 N4 O2 Pt | P 1 21/c 1 | 13.9627; 24.4797; 20.1924 90; 109.711; 90 | 6497.4 | Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador Reversible carbon-boron bond formation at platinum centers through σ-BH complexes. Chemical science, 2020, 12, 1647-1655 |
| 1559728 | CIF | C58 H54 B2 F24 N6 Pt | P -1 | 17.784; 19.3314; 19.4985 77.056; 83.793; 71.134 | 6177.4 | Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador Reversible carbon-boron bond formation at platinum centers through σ-BH complexes. Chemical science, 2020, 12, 1647-1655 |
| 1559729 | CIF | C58 H54 B2 F24 N6 Pt | P -1 | 12.8046; 13.6804; 18.4265 96.145; 98.035; 91.631 | 3174.7 | Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador Reversible carbon-boron bond formation at platinum centers through σ-BH complexes. Chemical science, 2020, 12, 1647-1655 |
| 1559730 | CIF | C63 H69 B2 F24 N5 O2 Pt | P 1 21/c 1 | 13.001; 26.3167; 21.0636 90; 101.229; 90 | 7068.8 | Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador Reversible carbon-boron bond formation at platinum centers through σ-BH complexes. Chemical science, 2020, 12, 1647-1655 |
| 1559731 | CIF | C55.17 H44.33 N4 O P Zn | P 61 | 28.129; 28.129; 10.2773 90; 90; 120 | 7042.4 | Chakraborty, Debarshi; Gholami, Hadi; Sarkar, Aritra; Joyce, Leo A.; Jackson, James E.; Borhan, Babak A chiroptical approach for the absolute stereochemical determination of <i>P</i>-stereogenic centers. Chemical science, 2020, 12, 1750-1755 |
| 1559733 | CIF | C16 H23 Cl N2 O3 | P 1 21 1 | 10.6148; 5.0773; 15.8871 90; 104.929; 90 | 827.33 | Steigerwald, Daniel C.; Soltanzadeh, Bardia; Sarkar, Aritra; Morgenstern, Cecilia C.; Staples, Richard J.; Borhan, Babak Ritter-enabled catalytic asymmetric chloroamidation of olefins. Chemical science, 2020, 12, 1834-1842 |
| 1559734 | CIF | C15 H20 Br Cl N2 O2 | P 1 | 4.9505; 8.582; 19.942 88.027; 85.435; 89.121 | 843.98 | Steigerwald, Daniel C.; Soltanzadeh, Bardia; Sarkar, Aritra; Morgenstern, Cecilia C.; Staples, Richard J.; Borhan, Babak Ritter-enabled catalytic asymmetric chloroamidation of olefins. Chemical science, 2020, 12, 1834-1842 |
| 1559735 | CIF | C39 H35 Cl N2 O4 | P -1 | 7.0556; 11.2701; 21.8311 76.95; 80.721; 83.88 | 1664.53 | Yan, Lipeng; Ma, Weixin; Lan, Jingbo; Cheng, Hu; Bin, Zhengyang; Wu, Di; You, Jingsong Molecular engineering enabling reversible transformation between helical and planar conformations by cyclization of alkynes. Chemical science, 2020, 12, 2419-2426 |
| 1559736 | CIF | C39 H26 N2 | P 1 21/n 1 | 11.61201; 15.7662; 16.56274 90; 96.2696; 90 | 3014.13 | Yan, Lipeng; Ma, Weixin; Lan, Jingbo; Cheng, Hu; Bin, Zhengyang; Wu, Di; You, Jingsong Molecular engineering enabling reversible transformation between helical and planar conformations by cyclization of alkynes. Chemical science, 2020, 12, 2419-2426 |
| 1559742 | CIF | C123.64 H127.46 F9 Lu N9.82 O29 S3 | P 21 21 21 | 13.2976; 25.7772; 38.6074 90; 90; 90 | 13233.6 | Song, Yiwei; Schaufelberger, Fredrik; Ashbridge, Zoe; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Leigh, David A. Effects of turn-structure on folding and entanglement in artificial molecular overhand knots. Chemical science, 2020, 12, 1826-1833 |
| 1559743 | CIF | C32 H18 N2 | P -1 | 7.3505; 9.1897; 17.0347 94.567; 91.046; 113.509 | 1050.24 | Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Kershaw Cook, Laurence J.; Manning, Troy D.; Gaultois, Michael W.; Wood, Peter A.; Kurlin, Vitaliy; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J. One class classification as a practical approach for accelerating π-π co-crystal discovery. Chemical science, 2020, 12, 1702-1719 |
| 1559744 | CIF | C42 H26 O4 | P 1 21/c 1 | 8.295; 16.3146; 21.1379 90; 91.514; 90 | 2859.6 | Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Kershaw Cook, Laurence J.; Manning, Troy D.; Gaultois, Michael W.; Wood, Peter A.; Kurlin, Vitaliy; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J. One class classification as a practical approach for accelerating π-π co-crystal discovery. Chemical science, 2020, 12, 1702-1719 |
| 1559745 | CIF | C18 H18 Al0.5 Mo6 N3 O34.25 P4 | P 1 21/c 1 | 11.438; 23.034; 15.788 90; 95.203; 90 | 4142.4 | Zhang, Ya-Qi; Zhou, Lai-Yun; Ma, Yuan-Yuan; Dastafkan, Kamran; Zhao, Chuan; Wang, Lan-Zhi; Han, Zhan-Gang Stable monovalent aluminum(i) in a reduced phosphomolybdate cluster as an active acid catalyst. Chemical science, 2020, 12, 1886-1890 |
| 1559746 | CIF | C132 H114 Al6 Mo36 N22 O201 P24 | C 1 2/c 1 | 48.173; 13.8607; 47.347 90; 117.571; 90 | 28024 | Zhang, Ya-Qi; Zhou, Lai-Yun; Ma, Yuan-Yuan; Dastafkan, Kamran; Zhao, Chuan; Wang, Lan-Zhi; Han, Zhan-Gang Stable monovalent aluminum(i) in a reduced phosphomolybdate cluster as an active acid catalyst. Chemical science, 2020, 12, 1886-1890 |
| 1559747 | CIF | C199 H530 Ce6 Cl8 N36 Si36 | P -1 | 17.4036; 20.6957; 24.9538 103.801; 102.939; 109.687 | 7749.8 | Qiao, Yusen; Yin, Haolin; Moreau, Liane M.; Feng, Rulin; Higgins, Robert F.; Manor, Brian C.; Carroll, Patrick J.; Booth, Corwin H.; Autschbach, Jochen; Schelter, Eric J. Cerium(iv) complexes with guanidinate ligands: intense colors and anomalous electronic structures. Chemical science, 2020, 12, 3558-3567 |
| 1559748 | CIF | C64 H94 B Ce F24 N7 Si6 | P 1 21/c 1 | 18.6937; 18.0533; 26.789 90; 91.191; 90 | 9038.9 | Qiao, Yusen; Yin, Haolin; Moreau, Liane M.; Feng, Rulin; Higgins, Robert F.; Manor, Brian C.; Carroll, Patrick J.; Booth, Corwin H.; Autschbach, Jochen; Schelter, Eric J. Cerium(iv) complexes with guanidinate ligands: intense colors and anomalous electronic structures. Chemical science, 2020, 12, 3558-3567 |
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