Crystallography Open Database
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Searching year of publication is 2021
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1559953 | CIF | C15 H19 F3 N2 O5 Pt S | P 1 21/n 1 | 11.3867; 13.3132; 12.4183 90; 92.717; 90 | 1880.42 | Pal, Shrinwantu; Nozaki, Kyoko; Vedernikov, Andrei N.; Love, Jennifer A. Reversible PtII‒CH3 deuteration without methane loss: metal‒ligand cooperation vs. ligand-assisted PtII-protonation Chemical Science, 2021, 12, 2960-2969 |
| 1559954 | CIF | C10 H13 F2 N O4 S2 | P 1 21 1 | 6.9704; 8.0097; 11.9695 90; 100.105; 90 | 657.9 | Rossi, Maria-Agustina; Martinez, Veronica; Hinchliffe, Philip; Mojica, Maria F.; Castillo, Valerie; Moreno, Diego M.; Smith, Ryan; Spellberg, Brad; Drusano, George L.; Banchio, Claudia; Bonomo, Robert A.; Spencer, James; Vila, Alejandro J.; Mahler, Graciela 2-Mercaptomethyl-thiazolidines use conserved aromatic‒S interactions to achieve broad-range inhibition of metallo-β-lactamases Chemical Science, 2021, 12, 2898-2908 |
| 1559955 | CIF | C224 H252 Au44 S28 | R -3 c :H | 45.692; 45.692; 77.435 90; 90; 120 | 140007 | Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan Cd-driven surface reconstruction and photodynamics in gold nanoclusters Chemical Science, 2021, 12, 3290-3294 |
| 1559956 | CIF | C240 H270 Au38 Cd4 S30 | P -1 | 35.243; 36.193; 46.321 78.898; 74.68; 79.183 | 55332 | Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan Cd-driven surface reconstruction and photodynamics in gold nanoclusters Chemical Science, 2021, 12, 3290-3294 |
| 1559957 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.7488; 7.1526; 29.1812 90; 93.7725; 90 | 3904.8 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559958 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.747; 7.1519; 29.1807 90; 93.7723; 90 | 3903.97 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559959 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.6705; 7.123; 29.1292 90; 93.6645; 90 | 3865.97 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559960 | CIF | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.5979; 7.0922; 29.0731 90; 93.5819; 90 | 3827.25 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559961 | CIF | C7 H4 N Na O4.875 S | C -1 | 18.5729; 7.0819; 29.0233 89.9808; 93.511; 89.9763 | 3810.31 | Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate IUCrJ, 2021, 8, 139-147 |
| 1559963 | CIF | Ba O3 Ti | P m -3 m | 4.03542; 4.03542; 4.03542 90; 90; 90 | 65.715 | Aimi, A.; Horiuchi, K.; Yamaguchi, Y.; Ito, S.; Fujimoto, K. Disordered off-center direction of Ti4+ in pseudo-cubic type BaTiO3 prepared by mixed hydroxide process Journal of the Ceramic Society of Japan, 2021, 129, 73-78 |
| 1559964 | CIF | Ba O3 Ti | P 4 m m | 3.99048; 3.99048; 4.02303 90; 90; 90 | 64.062 | Aimi, A.; Horiuchi, K.; Yamaguchi, Y.; Ito, S.; Fujimoto, K. Disordered off-center direction of Ti4+ in pseudo-cubic type BaTiO3 prepared by mixed hydroxide process Journal of the Ceramic Society of Japan, 2021, 129, 73-78 |
| 1559965 | CIF | O7 Ti2 Y2 | F d -3 m :2 | 10.0975; 10.0975; 10.0975 90; 90; 90 | 1029.54 | Takano, M.; Matsudaira, T.; Kawai, E.; Kawashima, N.; Matsumoto, U.; Ogawa, T.; Takeuchi, M.; Kitaoka, S. Effect of chemical composition on mass transfer in Y2Ti2O7 under oxygen potential gradient at high temperatures Journal of the Ceramic Society of Japan, 2021, 129, 22-31 |
| 1559971 | CIF | C20 H30 Fe N2 O4 Si2 | P 1 21/n 1 | 8.4055; 18.3319; 15.0466 90; 92.57; 90 | 2316.2 | Cingolani, Andrea; Gualandi, Isacco; Scavetta, Erika; Cesari, Cristiana; Zacchini, Stefano; Tonelli, Domenica; Zanotti, Valerio; Franchi, Paola; Lucarini, Marco; Sicilia, Emilia; Mazzone, Gloria; Nanni, Daniele; Mazzoni, Rita Cyclopentadienone‒NHC iron(0) complexes as low valent electrocatalysts for water oxidation Catalysis Science & Technology, 2021, 11, 1407-1418 |
| 1559978 | CIF | C30 H36 N2 S2 | P -1 | 7.0096; 11.6756; 17.1032 96.573; 98.931; 99.536 | 1349.48 | Sinclair, Geoffrey S.; Claridge, Robert C. M.; Kukor, Andrew J.; Hopkins, W. Scott; Schipper, Derek J. N-Oxide S‒O chalcogen bonding in conjugated materials Chemical Science, 2021, 12, 2304-2312 |
| 1559979 | CIF | C30 H36 N2 O S2 | P -1 | 6.7333; 7.2344; 14.884 85.396; 80.658; 74.043 | 687.4 | Sinclair, Geoffrey S.; Claridge, Robert C. M.; Kukor, Andrew J.; Hopkins, W. Scott; Schipper, Derek J. N-Oxide S‒O chalcogen bonding in conjugated materials Chemical Science, 2021, 12, 2304-2312 |
| 1559980 | CIF | C18 H15 N O3 | P 1 21/c 1 | 5.974; 16.697; 14.741 90; 91.617; 90 | 1469.8 | Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)‒Pd(ii) catalysis vs. Pd(ii) catalysis Chemical Science, 2021, 12, 3216-3225 |
| 1559981 | CIF | C18 H15 N O3 | P -1 | 8.1516; 8.1871; 11.8093 96.901; 107.557; 92.751 | 743.01 | Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)–Pd(ii) catalysis vs. Pd(ii) catalysis Chemical Science, 2021, 12, 3216-3225 |
| 1559982 | CIF | C285 H325 Ag21 Au B2 Cl2 Fe3 O2 P6 S12 | P -1 | 21.3948; 27.211; 29.938 80.347; 70.094; 67.283 | 15103 | Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts Chemical Science, 2021, 12, 3660-3667 |
| 1559983 | CIF | C298 H333 Ag22 B2 Fe3 P6 S12 | P -1 | 21.412; 27.2727; 29.7612 79.123; 70.493; 66.956 | 15040.9 | Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts Chemical Science, 2021, 12, 3660-3667 |
| 1559992 | CIF | C29 H21 N3 O Pt | P 1 21/n 1 | 10.309; 13.9097; 15.4326 90; 101.658; 90 | 2167.31 | Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281 |
| 1559993 | CIF | C29 H17 F4 N3 O Pd | P -1 | 11.8675; 12.4514; 17.2457 94.655; 96.279; 113.088 | 2308.6 | Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281 |
| 1559994 | CIF | C29 H19 F2 N3 O Pt | P -1 | 9.3869; 11.7589; 11.9012 117.792; 105.826; 94.593 | 1084.42 | Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281 |
| 1559995 | CIF | C29 H17 F4 N3 O Pt | P 1 2/c 1 | 22.8339; 9.8626; 22.7576 90; 117.704; 90 | 4537.52 | Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281 |
| 1559996 | CIF | C29 H17 F4 N3 O Pt | P -1 | 9.6007; 11.7181; 12.0959 118.283; 95.325; 104.556 | 1123.48 | Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A. Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters Chemical Science, 2021, 12, 3270-3281 |
| 1560013 | CIF | C26 H30 N2 O4 | P 1 21/c 1 | 5.2406; 6.5334; 31.137 90; 91.691; 90 | 1065.6 | Goudappagouda, ?; Nidhankar, Aakash D.; Nayak, Rashmi A.; Santhosh Babu, Sukumaran Aggregation-induced phosphorescence of an anthraquinone based emitter. Organic & biomolecular chemistry, 2021, 19, 1004-1008 |
| 1560014 | CIF HKL Paper | C17 H12 N2 O | P 1 21/n 1 | 7.4548; 22.976; 8.3149 90; 115.866; 90 | 1281.5 | Chen, Lin; Hu, Jin; Sun, Hong-Shun 7,8-Dimethyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxalin-11-one IUCrData, 2021, 6, x210018 |
| 1560015 | CIF | C18 H24 O2 | P -1 | 8.3649; 10.0504; 10.2831 73.682; 70.348; 86.635 | 780.74 | Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement Chemical Science, 2021, 12, 2816-2822 |
| 1560016 | CIF | C12 H21 N O2 S | P -1 | 6.3005; 10.5228; 10.9791 65.837; 82.374; 88.124 | 658.07 | Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement Chemical Science, 2021, 12, 2816-2822 |
| 1560017 | CIF | C22 H26 O2 | P 1 21/n 1 | 10.5885; 8.3629; 20.6387 90; 99.927; 90 | 1800.21 | Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement Chemical Science, 2021, 12, 2816-2822 |
| 1560018 | CIF | C35 H35 N2 O P | P -1 | 8.9009; 10.4501; 17.0815 104.343; 91.133; 112.507 | 1410.37 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560019 | CIF | C33 H30 N O P | P -1 | 8.2229; 12.4346; 13.1943 108.632; 96.25; 93.485 | 1264.24 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560020 | CIF | C32 H22 F3 O4 P S | P 1 21/c 1 | 7.4114; 15.707; 22.5898 90; 92.536; 90 | 2627.1 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560021 | CIF | C33 H25 F3 N O3 P S | P n a 21 | 8.0035; 27.389; 12.6664 90; 90; 90 | 2776.6 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560022 | CIF | C34 H29 F3 N O3 P S | P 1 21/c 1 | 8.9602; 11.4072; 28.9126 90; 93.074; 90 | 2950.9 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560023 | CIF | C33 H25 F3 N O3 P S | P 1 21/c 1 | 16.162; 12.9217; 14.4246 90; 107.362; 90 | 2875.2 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560024 | CIF | C36 H34 F3 N2 O3 P S | P 1 21/c 1 | 11.0775; 19.2817; 15.3042 90; 104; 90 | 3171.8 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560025 | CIF | C33 H29 Au B Cl F4 N P | P 1 21 1 | 8.2171; 20.0635; 9.9302 90; 111.472; 90 | 1523.51 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560026 | CIF | C36 H33 Au B2 F8 N P S | P 1 21/c 1 | 16.5012; 15.8634; 13.7254 90; 92.673; 90 | 3588.9 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560027 | CIF | C37 H37 Au B2 F8 N P S | P 1 21 1 | 8.2911; 15.0763; 14.2431 90; 97.96; 90 | 1763.2 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560028 | CIF | C39 H42 Au B2 F8 N2 P S | P 1 21/n 1 | 10.2268; 8.5127; 45.347 90; 94.336; 90 | 3936.5 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560029 | CIF | C35 H34 Au B Cl F4 N2 P | P 1 21/c 1 | 20.6017; 8.5026; 20.569 90; 118.012; 90 | 3180.9 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560030 | CIF | C36 H32 Au B2 Cl2 F8 O P S | P -1 | 8.0106; 12.2124; 19.0728 99.359; 93.578; 101.894 | 1792.6 | Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P. Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity Chemical Science, 2021, 12, 3929-3936 |
| 1560031 | CIF | C52 H96 O Si8 U2 | P 21 21 21 | 10.5444; 18.4631; 31.5083 90; 90; 90 | 6134.1 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560032 | CIF | C26 H50 O Si4 U | P 1 21/n 1 | 17.5935; 9.977; 18.6747 90; 110.001; 90 | 3080.27 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560033 | CIF | C58.34 H113.47 O Si9 U2 | P -4 | 20.3708; 20.3708; 16.6734 90; 90; 90 | 6918.95 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560034 | CIF | C84 H168 Si12 U2 | P 1 21/c 1 | 26.7057; 15.99077; 26.5612 90; 117.35; 90 | 10074.9 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560035 | CIF | C24 H44 Si4 U | I 41/a :2 | 31.8409; 31.8409; 11.0234 90; 90; 90 | 11176 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560036 | CIF | C28 H52 O Si4 U | P 21 21 21 | 11.40224; 16.98119; 17.03377 90; 90; 90 | 3298.14 | Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A. Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes Chemical Science, 2021, 12, 2948-2954 |
| 1560037 | CIF | C34 H48 N4 P2 | P -1 | 7.5552; 9.5169; 11.8279 76.651; 84.11; 72.543 | 788.85 | Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915 |
| 1560038 | CIF | C48 H58 N4 Si2 | C 1 2/c 1 | 25.072; 9.1667; 19.7603 90; 99.889; 90 | 4474 | Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915 |
| 1560039 | CIF | C34 H48 N4 Ni P2 | P -1 | 10.1955; 10.3773; 16.0898 76.412; 80.446; 88.451 | 1631.6 | Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915 |
| 1560040 | CIF | C55 H66 N4 Ni Si2 | P 1 21/m 1 | 9.1662; 26.4418; 9.8935 90; 90.567; 90 | 2397.8 | Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst Chemical Science, 2021, 12, 2909-2915 |
| 1560041 | CIF Paper | C20 H22 N4 O8 | P 1 | 7.7162; 8.9727; 16.9089 86.559; 78.838; 66.314 | 1051.59 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560042 | CIF | C18 H23 N4 O4 | P -1 | 7.658; 9.277; 15.152 79.304; 82.008; 65.214 | 958 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560043 | CIF | C32 H23 N3 O3.99 | P -1 | 9.2447; 14.4694; 19.3202 93.232; 102.634; 97.795 | 2488.6 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560044 | CIF | C12 H13 N3 O4 | C 1 2/c 1 | 8.7482; 14.926; 10.2464 90; 110.165; 90 | 1255.9 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560045 | CIF | C19 H15 N3 O4 | P -1 | 7.7638; 8.5897; 12.723 105.585; 102.978; 95.062 | 786.4 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560046 | CIF | C26 H21 N5 O4 | P -1 | 7.3217; 11.6513; 13.9987 105.915; 102.665; 91.242 | 1116.2 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560047 | CIF | C42 H34 N8 O8 | P -1 | 7.4323; 9.1138; 14.562 106.397; 103.133; 90.486 | 918.7 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560048 | CIF | C18 H17 N3 O4 | P 1 21/c 1 | 17.802; 7.5355; 12.5671 90; 91.187; 90 | 1685.5 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560049 | CIF | C18 H15 N3 O4 | P 1 21/c 1 | 17.9122; 7.4259; 12.1765 90; 92.337; 90 | 1618.3 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560050 | CIF | C16 H13 N5 O4 | P 1 21/c 1 | 18.213; 7.2967; 11.94 90; 92.967; 90 | 1584.6 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560051 | CIF | C20 H25 N5 O4 | P -1 | 7.7563; 8.1082; 16.24 97.387; 95.164; 95.007 | 1003.7 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560052 | CIF | C13 H15 N3 O4 | P 1 21/n 1 | 10.1301; 12.6967; 10.3338 90; 99.17; 90 | 1312.1 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560053 | CIF | C29 H26 N3 O4 | P 1 21 1 | 7.7925; 12.885; 12.398 90; 104.054; 90 | 1207.6 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560054 | CIF | C58 H50 N6 O8 | P -1 | 13.337; 13.504; 16.069 75.831; 66.422; 67.934 | 2442.9 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560055 | CIF | C40 H46 N8 O8 | P -1 | 7.5319; 8.6425; 15.3925 78.729; 75.782; 89.099 | 951.99 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560056 | CIF | C38 H42 N8 O8 | P -1 | 7.4104; 8.8964; 15.7722 95.531; 101.446; 111.676 | 930.47 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560057 | CIF | C22 H23 N3 O4 S2 | P -1 | 7.6512; 8.9495; 18.121 87.883; 78.725; 65.728 | 1108 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560058 | CIF | C62 H50 N6 O8 | P -1 | 7.684; 9.266; 18.043 96.343; 94.419; 107.054 | 1212.5 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560059 | CIF | C50 H52 N8 O8 | P -1 | 7.7634; 8.9486; 16.368 83.021; 82.842; 88.111 | 1119.7 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560060 | CIF | C42 H42 N8 O8 | P -1 | 7.5543; 8.914; 14.713 85.797; 88.497; 89.487 | 987.7 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560061 | CIF | C42 H40 N8 O8 | P -1 | 7.504; 9.428; 14.102 94.052; 91.192; 90.498 | 994.9 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560062 | CIF | C40 H40 N6 O8 S2 | P -1 | 7.489; 9.107; 14.187 97.784; 93.611; 90.872 | 956.5 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560063 | CIF | C40 H38 N6 O8 S2 | P -1 | 7.514; 9.272; 13.852 83.832; 89.887; 88.173 | 959 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560064 | CIF | C41 H41 N7 O8 S | P -1 | 7.4741; 9.2215; 14.295 96.245; 92.609; 92.314 | 977.4 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560065 | CIF | C41 H39 N7 O8 S | P -1 | 7.4078; 9.3192; 13.815 94.239; 91.445; 90.299 | 950.8 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560066 | CIF | C14 H16 Cl2 N2 O2 | P 1 21/n 1 | 9.302; 9.394; 17.66 90; 104.075; 90 | 1496.9 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560067 | CIF | C72 H48 Cl4 N10 O4 | P -1 | 10.807; 12.145; 12.466 108.22; 104.061; 101.072 | 1442.4 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560068 | CIF | C12 H12 Cl2 N2 O2 | P 1 21/c 1 | 8.188; 15.73; 11.247 90; 110.491; 90 | 1357 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560069 | CIF | C44 H42 Cl4 N4 O4 | C 1 2/c 1 | 42.727; 8.899; 22.92 90; 114.062; 90 | 7958 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560070 | CIF | C84 H54 Cl4 N4 O4 | C 1 2/c 1 | 33.873; 10.374; 18.332 90; 91.186; 90 | 6440 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560071 | CIF | C28 H22 Cl2 N2 O2 | P -1 | 8.8453; 10.4891; 12.694 94.129; 94.866; 98.239 | 1157.1 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560072 | CIF | C80 H66 Cl8 N8 O8 | P 1 21 1 | 17.219; 22.693; 18.331 90; 91.312; 90 | 7161 | Rajkumar, Madhu; Desiraju, Gautam R. Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol IUCrJ, 2021, 8, 178-185 |
| 1560073 | CIF | C18 H18 O3 | P 1 21 1 | 5.656; 8.202; 16.2422 90; 92.949; 90 | 752.49 | Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME Catalysis Science & Technology, 2021, 11, 2306-2315 |
| 1560074 | CIF | C18 H18 O2 | P 21 21 21 | 6.5109; 8.5749; 26.234 90; 90; 90 | 1464.7 | Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME Catalysis Science & Technology, 2021, 11, 2306-2315 |
| 1560075 | CIF | C23 H27 Al N2 O6 | P 1 21/c 1 | 8.9958; 12.8818; 19.2304 90; 96.615; 90 | 2213.62 | Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K. Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide Catalysis Science & Technology, 2021, 11, 1737-1745 |
| 1560076 | CIF | C23 H27 Co N2 O6 | P 1 21/c 1 | 8.9996; 12.8364; 19.0472 90; 96.745; 90 | 2185.15 | Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K. Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide Catalysis Science & Technology, 2021, 11, 1737-1745 |
| 1560077 | CIF | C23 H29 Al N2 O4 | P 21 21 21 | 7.869; 15.7511; 17.6113 90; 90; 90 | 2182.84 | Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K. Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide Catalysis Science & Technology, 2021, 11, 1737-1745 |
| 1560078 | CIF | C19 H13 N O | P 21 21 21 | 17.214; 14.4042; 5.5668 90; 90; 90 | 1380.3 | Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586 |
| 1560079 | CIF | C19 H12 F N O | P b c a | 11.8585; 10.3783; 22.8559 90; 90; 90 | 2812.9 | Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586 |
| 1560080 | CIF | C19 H12 F N O | P 1 21/n 1 | 14.608; 5.4287; 18.371 90; 107.996; 90 | 1385.6 | Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586 |
| 1560081 | CIF | C19 H12 F N O | P 1 21/c 1 | 8.9406; 22.597; 7.0302 90; 91.313; 90 | 1419.9 | Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime Chemical Science, 2021, 12, 3580-3586 |
| 1560082 | CIF | C56 H63 N5 O4 | P 1 21/c 1 | 14.7734; 17.4936; 18.6427 90; 90.2338; 90 | 4817.98 | Villarón, David; Siegler, Maxime A.; Wezenberg, Sander J. A photoswitchable strapped calix[4]pyrrole receptor: highly effective chloride binding and release Chemical Science, 2021, 12, 3188-3193 |
| 1560083 | CIF | C108 H98 Mn4 Mo9 N3 O43 P5 | P -1 | 16.1432; 18.3888; 24.571 94.772; 109.004; 106.661 | 6480.2 | Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters Chemical Science, 2021, 12, 1240-1244 |
| 1560084 | CIF | C174 H174 Cl20 Mn6 Mo18 O74 P8 | P -1 | 17.3006; 19.39; 20.7716 95.31; 112.975; 99.33 | 6236.6 | Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters Chemical Science, 2021, 12, 1240-1244 |
| 1560085 | CIF | C22 H33 Ir | P 1 21/n 1 | 8.01647; 16.3246; 15.049 90; 92.985; 90 | 1966.73 | Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G. Selective cleavage of unactivated arene ring C‒C bonds by iridium: key roles of benzylic C‒H activation and metal‒metal cooperativity Chemical Science, 2021, 12, 3568-3579 |
| 1560086 | CIF | C20 H23 Ir | C 1 c 1 | 22.2884; 22.2818; 26.1267 90; 97.5244; 90 | 12863.5 | Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G. Selective cleavage of unactivated arene ring C–C bonds by iridium: key roles of benzylic C–H activation and metal–metal cooperativity Chemical Science, 2021, 12, 3568-3579 |
| 1560087 | CIF | C83 H116 N4 O4 Zn2 | P -1 | 9.5822; 13.6635; 15.4413 98.426; 105.508; 99.504 | 1882.26 | Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096 |
| 1560088 | CIF | C30 H36 Cl2 Mg N2 O2 | P 1 21/c 1 | 9.9229; 14.2743; 20.5348 90; 95.319; 90 | 2896.08 | Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D. Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters Polymer Chemistry, 2021, 12, 1086-1096 |
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