Crystallography Open Database
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Searching year of publication is 2016
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1540035 | CIF | C40 H44 F6 N8 O4 Zn | P 1 21/n 1 | 14.5768; 8.9341; 15.9047 90; 103.294; 90 | 2015.8 | Nakatake, Daiki; Yokote, Yuki; Matsushima, Yoshimasa; Yazaki, Ryo; Ohshima, Takashi A highly stable but highly reactive zinc catalyst for transesterification supported by a bis(imidazole) ligand Green Chem., 2016, 18, 1524 |
| 1540036 | CIF | C18 H14 F6 N4 O4 Zn | P -1 | 9.7675; 11.262; 11.576 98.815; 107.953; 112.944 | 1059.8 | Nakatake, Daiki; Yokote, Yuki; Matsushima, Yoshimasa; Yazaki, Ryo; Ohshima, Takashi A highly stable but highly reactive zinc catalyst for transesterification supported by a bis(imidazole) ligand Green Chem., 2016, 18, 1524 |
| 1540182 | CIF | C28 H20 B2 Cu2 Mn4 O8 | P 1 21/c 1 | 12.657; 17.3227; 13.6878 90; 91.065; 90 | 3000.6 | Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters Chem. Sci., 2016, 7, 109 |
| 1540183 | CIF | C28 H20 Au2 B2 Mn4 O8 | C 1 2/c 1 | 17.4662; 12.1607; 15.4013 90; 119.822; 90 | 2838.1 | Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters Chem. Sci., 2016, 7, 109 |
| 1540184 | CIF | C50 H76 B Cu Mn2 O4 P2 Pt | P -1 | 11.174; 11.176; 19.8602 83.931; 83.831; 75.995 | 2384.3 | Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters Chem. Sci., 2016, 7, 109 |
| 1540185 | CIF | C70 H83 B Cu Mn2 N2 O4 P Pt | P -1 | 12.516; 13.405; 19.099 100.262; 97.963; 95.107 | 3101.4 | Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters Chem. Sci., 2016, 7, 109 |
| 1540186 | CIF | C138 H112 Cu2 N4 S | C 1 c 1 | 20.1366; 18.5935; 28.856 90; 95.5214; 90 | 10753.8 | Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D. Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S) Chem. Sci., 2016, 7, 589 |
| 1540187 | CIF | C70 H59 Cl2 Cu N2 S | P 1 21/c 1 | 12.65; 18.177; 23.842 90; 91.587; 90 | 5480 | Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D. Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S) Chem. Sci., 2016, 7, 589 |
| 1540188 | CIF | C27 H37 Cu N2 S | P c c n | 12.6538; 10.6947; 19.3375 90; 90; 90 | 2616.9 | Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D. Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S) Chem. Sci., 2016, 7, 589 |
| 1540189 | CIF | C15 H31 B2 N O4 | P -1 | 6.3072; 12.4643; 12.5184 101.141; 100.174; 103.802 | 911.73 | Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci., 2016, 7, 628 |
| 1540190 | CIF | C37 H49 Mg N3 O | P 1 21/n 1 | 12.741; 12.948; 20.76 90; 92.575; 90 | 3421.33 | Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci., 2016, 7, 628 |
| 1540191 | CIF | C74 H98 Mg2 N6 O2 | P 1 21/n 1 | 22.747; 13.264; 24.917 90; 115.512; 90 | 6784.83 | Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci., 2016, 7, 628 |
| 1540192 | CIF | C40 H64 B Mg N3 O | P 1 21/c 1 | 13.7058; 13.1659; 22.9509 90; 96.1775; 90 | 4117.42 | Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci., 2016, 7, 628 |
| 1540193 | CIF | C102 H132 B Mg2 N6 O2 | C 1 c 1 | 12.3279; 30.1877; 26.5175 90; 102.622; 90 | 9630 | Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F. Magnesium-catalysed nitrile hydroboration Chem. Sci., 2016, 7, 628 |
| 1540390 | CIF | C66 H56 | R -3 :H | 37.115; 37.115; 8.929 90; 90; 120 | 10652 | Maekawa, Takehisa; Ueno, Hiroshi; Segawa, Yasutomo; Haley, Michael M.; Itami, Kenichiro Synthesis of open-shell ladder π-systems by catalytic C‒H annulation of diarylacetylenes Chem. Sci., 2016, 7, 650 |
| 1540391 | CIF | C84 H72 O2 | P 1 21/n 1 | 14.623; 14.269; 15.12 90; 109.197; 90 | 2979 | Maekawa, Takehisa; Ueno, Hiroshi; Segawa, Yasutomo; Haley, Michael M.; Itami, Kenichiro Synthesis of open-shell ladder π-systems by catalytic C‒H annulation of diarylacetylenes Chem. Sci., 2016, 7, 650 |
| 1540417 | CIF | C56 H73 Cl2 N2 P Ru | P 1 21/n 1 | 11.7833; 32.7044; 13.6983 90; 111.821; 90 | 4900.6 | Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts Catal. Sci. Technol., 2016, 6, 2092 |
| 1540418 | CIF | C61 H76 Cl2 F N2 P Ru | P 1 21/c 1 | 18.3485; 16.9164; 17.4629 90; 100.428; 90 | 5330.8 | Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts Catal. Sci. Technol., 2016, 6, 2092 |
| 1540419 | CIF | C56 H73 Cl2 N2 P Ru | P 21 21 21 | 14.15; 14.3631; 24.5735 90; 90; 90 | 4994.27 | Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts Catal. Sci. Technol., 2016, 6, 2092 |
| 1540420 | CIF | C21 H16 O3 S | P -1 | 9.8165; 12.2268; 14.5725 100.954; 94.518; 103.585 | 1655.1 | Zhang, Yun; Lam, Jacky W. Y.; Tang, Ben Zhong Palladium-catalyzed alkyne polyannulation of diphenols and unactivated internal diynes: a new synthetic route to functional heterocyclic polymers Polym. Chem., 2016, 7, 330 |
| 1540421 | CIF | C44 H56 Cl2 N2 O2 S2 | P 1 21/n 1 | 9.6299; 4.8972; 42.482 90; 95.129; 90 | 1995.4 | Zhao, Na; Ai, Na; Cai, Mian; Wang, Xiao; Pei, Jian; Wan, Xiaobo Thiophene-fused isoindigo based conjugated polymers for ambipolar organic field-effect transistors Polym. Chem., 2016, 7, 235 |
| 1540422 | CIF | C22 H27 Br Cl N O2 S | P -1 | 15.2293; 17.6141; 19.9261 110.314; 90.518; 114.615 | 4482.6 | Zhao, Na; Ai, Na; Cai, Mian; Wang, Xiao; Pei, Jian; Wan, Xiaobo Thiophene-fused isoindigo based conjugated polymers for ambipolar organic field-effect transistors Polym. Chem., 2016, 7, 235 |
| 1540423 | CIF | C22 H25 Br2 N O2 S2 Si | P -1 | 9.117; 9.259; 16.283 86.352; 86.17; 69.853 | 1286.3 | Liu, Lijie; Song, Jinsheng; Lu, Heng; Wang, Hua; Bo, Zhishan Novel dithienosilole-based conjugated copolymers and their application in bulk heterojunction solar cells Polym. Chem., 2016, 7, 319 |
| 1540424 | CIF | C20 H26 N2 S2 Si3 | P 1 21/c 1 | 12.979; 12.411; 15.532 90; 92.684; 90 | 2499 | Liu, Lijie; Song, Jinsheng; Lu, Heng; Wang, Hua; Bo, Zhishan Novel dithienosilole-based conjugated copolymers and their application in bulk heterojunction solar cells Polym. Chem., 2016, 7, 319 |
| 1540427 | CIF | C78 H96 Cl16 Fe2 N8 O18 | P 1 2/c 1 | 31.467; 9.589; 30.77 90; 91.556; 90 | 9281 | Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication Chem. Sci., 2016, 7, 1212 |
| 1540428 | CIF | C76 H92 Cl14 Fe4 N8 | P 1 21/n 1 | 15.165; 18.236; 15.623 90; 103.044; 90 | 4209 | Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication Chem. Sci., 2016, 7, 1212 |
| 1540429 | CIF | K2 S7 Sn3 | C m c m | 3.6831; 25.8877; 16.8155 90; 90; 90 | 1603.31 | Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G. K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions Chem. Sci., 2016, 7, 1121 |
| 1540430 | CIF | K1.92 S7.04 Sn3.04 | P 1 21/c 1 | 13.092; 16.882; 7.3748 90; 98.1; 90 | 1613.7 | Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G. K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions Chem. Sci., 2016, 7, 1121 |
| 1540431 | CIF | C72 H74 As N4 | P -1 | 10.8398; 16.34; 17.69 85.439; 75.15; 82.111 | 2996.8 | Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci., 2016, 7, 745 |
| 1540432 | CIF | C60 H62 As N3 P | P -1 | 10.6316; 12.8458; 20.4651 85.732; 82.704; 66.749 | 2546.3 | Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci., 2016, 7, 745 |
| 1540433 | CIF | C60 H62 As N3 P | P -1 | 10.6707; 12.7933; 20.5386 85.861; 82.563; 67.099 | 2560.3 | Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci., 2016, 7, 745 |
| 1540434 | CIF | C65.25 H71.25 As N3 P2 | P 1 21/c 1 | 24.123; 12.4043; 39.14 90; 106.871; 90 | 11207.8 | Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci., 2016, 7, 745 |
| 1540435 | CIF | C29 H37 Ir O P2 S2 | P 1 21/c 1 | 13.5212; 15.0131; 16.025 90; 116.716; 90 | 2905.73 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540436 | CIF | C32.5 H40 Ir O2 P2 S2 | P -1 | 12.8155; 14.1374; 19.4358 105.409; 103.594; 93.729 | 3269 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540437 | CIF | C36 H44 Br Ir O P2 S2 | P 1 21/n 1 | 14.5417; 11.2071; 22.7055 90; 106.959; 90 | 3539.41 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540438 | CIF | C36 H44 Cl3 Ir P2 S2 | P 1 21/c 1 | 12.4862; 13.6671; 23.602 90; 118.383; 90 | 3543.52 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540439 | CIF | C31 H36 Cl F6 Ir O6 P2 S4 | C 1 2/c 1 | 29.3975; 17.9182; 23.5916 90; 122.649; 90 | 10463.3 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540440 | CIF | C31 H38 Cl F6 Ir O7 P2 S4 | C 1 2/c 1 | 27.4764; 20.4688; 18.4422 90; 112.874; 90 | 9556.4 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540441 | CIF | C15.19 H10.98 Ca O6 S | P 1 21/n 1 | 11.8013; 5.5827; 22.723 90; 100.092; 90 | 1473.9 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540442 | CIF | C14.6 H9.36 Ca O6 S | P 1 21/n 1 | 11.7292; 5.5685; 22.792 90; 100.493; 90 | 1463.7 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540443 | CIF | C14.63 H9.47 Ca O6 S | P 1 21/n 1 | 11.715; 5.5679; 22.8208 90; 100.532; 90 | 1463.48 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540444 | CIF | C15.58 H11.8 Ca O6 S | P 1 21/n 1 | 11.8767; 5.5769; 22.486 90; 99.893; 90 | 1467.2 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540445 | CIF | C14.5 H9.34 Ca O6 S | P 1 21/n 1 | 11.7073; 5.5647; 22.83 90; 100.586; 90 | 1462 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540446 | CIF | C15.31 H11.5 Ca O6 S | P 1 21/n 1 | 11.6426; 5.5574; 22.8446 90; 100.681; 90 | 1452.5 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540447 | CIF | C14.72 H9.79 Ca O6 S | P 1 21/n 1 | 11.6884; 5.5643; 22.8159 90; 100.691; 90 | 1458.14 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540448 | CIF | C16 H14 B N3 O4 | P 1 21/c 1 | 9.7329; 14.233; 11.6251 90; 106.694; 90 | 1542.5 | Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter, 2016, 12, 588-593 |
| 1540449 | CIF | C16 H15 B N2 O2 | P 1 21/n 1 | 8.0935; 8.3643; 20.7488 90; 94.35; 90 | 1400.57 | Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter, 2016, 12, 588-593 |
| 1540450 | CIF | C29 H27 B N2 O2 | P 21 21 21 | 6.049; 14.0088; 27.989 90; 90; 90 | 2371.8 | Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter, 2016, 12, 588-593 |
| 1540451 | CIF | C16 H13 B Cl2 N2 O2 | P 1 21/n 1 | 11.0667; 14.2602; 11.2083 90; 112.988; 90 | 1628.35 | Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter, 2016, 12, 588-593 |
| 1540452 | CIF | C24 H25 B N2 O2 | P 1 21 1 | 6.0264; 14.0749; 12.3126 90; 94.934; 90 | 1040.5 | Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter, 2016, 12, 588-593 |
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