Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1514125 | CIF | C39 H48 Cl2 Fe P2 | P b c a | 13.4011; 21.5414; 48.6745 90; 90; 90 | 14051.3 | Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations. The journal of physical chemistry. A, 2014, 118, 2316-2331 |
| 1514126 | CIF | C38 H58 Fe P2 | P -1 | 11.9515; 12.1683; 14.2621 110.684; 97.566; 114.389 | 1670.91 | Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations. The journal of physical chemistry. A, 2014, 118, 2316-2331 |
| 1514127 | CIF | C14 H15 N3 O3 | P -1 | 10.16; 10.3036; 14.0553 99.674; 96.774; 97.811 | 1422 | Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B, 2014, 118, 3267-3280 |
| 1514128 | CIF | C13 H15 N3 O5 | P -1 | 10.2543; 10.4086; 13.709 98.774; 96.171; 98.962 | 1415.5 | Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B, 2014, 118, 3267-3280 |
| 1514129 | CIF | C13 H14 Cl2 N2 O3 | P 1 21/n 1 | 8.698; 11.9681; 14.259 90; 97.47; 90 | 1471.74 | Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B, 2014, 118, 3267-3280 |
| 1514130 | CIF | C14 H16 N2 O4 | P 1 21/n 1 | 6.86417; 11.9645; 16.6842 90; 98.071; 90 | 1356.64 | Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B, 2014, 118, 3267-3280 |
| 1514131 | CIF | C16 H20 N2 O5 | P 1 21/n 1 | 10.6052; 10.5502; 14.681 90; 92.028; 90 | 1641.58 | Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B, 2014, 118, 3267-3280 |
| 1514132 | CIF | C16 H20 N2 O5 | P 1 21/c 1 | 17.639; 10.4165; 18.374 90; 108.281; 90 | 3205.6 | Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B, 2014, 118, 3267-3280 |
| 1514133 | CIF | C37 H28 Al F15 N2 | P -1 | 9.8638; 10.5358; 18.0155 81.532; 77.639; 84.01 | 1803.74 | Jia, Yin-Bao; Wang, Yan-Bo; Ren, Wei-Min; Xu, Tieqi; Wang, Jing; Lu, Xiao-Bing Mechanistic Aspects of Initiation and Deactivation inN-Heterocyclic Olefin Mediated Polymerization of Acrylates with Alane as Activator Macromolecules, 2014, 47, 1966 |
| 1514134 | CIF | C46 H38 Al F15 N2 | P -1 | 11.277; 11.709; 18 105; 103.215; 102.156 | 2141 | Jia, Yin-Bao; Wang, Yan-Bo; Ren, Wei-Min; Xu, Tieqi; Wang, Jing; Lu, Xiao-Bing Mechanistic Aspects of Initiation and Deactivation inN-Heterocyclic Olefin Mediated Polymerization of Acrylates with Alane as Activator Macromolecules, 2014, 47, 1966 |
| 1514135 | CIF | C40 H26 Al F15 N2 | P 1 21/c 1 | 10.2014; 17.3415; 20.5293 90; 96.982; 90 | 3604.9 | Jia, Yin-Bao; Wang, Yan-Bo; Ren, Wei-Min; Xu, Tieqi; Wang, Jing; Lu, Xiao-Bing Mechanistic Aspects of Initiation and Deactivation inN-Heterocyclic Olefin Mediated Polymerization of Acrylates with Alane as Activator Macromolecules, 2014, 47, 1966 |
| 1514137 | CIF | C27 H35 Cl3 Fe N2 O | P b c a | 15.98; 14.393; 24.368 90; 90; 90 | 5604.6 | Hennessy, Elisabeth T.; Liu, Richard Y.; Iovan, Diana A.; Duncan, Ryan A.; Betley, Theodore A. Iron-mediated intermolecular N-group transfer chemistry with olefinic substrates Chemical Science, 2014, 5, 1526 |
| 1514138 | CIF | C18 H17 Cl O4 | P 1 21 1 | 6.6348; 11.6431; 10.7797 90; 99.155; 90 | 822.12 | Manna, Madhu Sudan; Mukherjee, Santanu Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione Chemical Science, 2014, 5, 1627 |
| 1514139 | CIF | C17 H18 O2 | P 21 21 21 | 6.569; 13.286; 17.05 90; 90; 90 | 1488 | Manna, Madhu Sudan; Mukherjee, Santanu Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione Chemical Science, 2014, 5, 1627 |
| 1514140 | CIF | C18 H15 Cl O4 | P 21 21 21 | 6.465; 16.927; 29.143 90; 90; 90 | 3189 | Manna, Madhu Sudan; Mukherjee, Santanu Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione Chemical Science, 2014, 5, 1627 |
| 1514143 | CIF | C26 H21 Co F6 N5 O6 S2 | P -1 | 8.0983; 12.4502; 15.5631 105.76; 103.114; 101.124 | 1415.5 | Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N. Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts Energy & Environmental Science, 2014, 7, 1477 |
| 1514144 | CIF | C33 H26.5 Co F12 N7.5 O6 S2 | P -1 | 16.288; 16.463; 17.02 62.683; 83.145; 83.634 | 4017.8 | Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N. Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts Energy & Environmental Science, 2014, 7, 1477 |
| 1514145 | CIF | C27 H22 Co F6 N6 O7 S2 | P -1 | 8.3555; 13.6865; 15.1917 116.451; 94.117; 90.678 | 1549.54 | Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N. Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts Energy & Environmental Science, 2014, 7, 1477 |
| 1514146 | CIF | C25 H20 Co F6 N4 O6 S2 | P 1 21/n 1 | 12.0052; 17.117; 13.5392 90; 99.567; 90 | 2743.5 | Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N. Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts Energy & Environmental Science, 2014, 7, 1477 |
| 1514147 | CIF | C27 H23 Co F6 N5 O6 S2 | P 1 21/c 1 | 12.8142; 16.9334; 13.8652 90; 98.362; 90 | 2976.6 | Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N. Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts Energy & Environmental Science, 2014, 7, 1477 |
| 1514148 | CIF | C26 H28 Co F6 N4 O9 S2 | P -1 | 9.6468; 11.9557; 14.9502 105.694; 105.787; 100.066 | 1538.89 | Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N. Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts Energy & Environmental Science, 2014, 7, 1477 |
| 1514149 | CIF | C30.5 H27 Co F6 N6 O6 S2 | I 1 2/a 1 | 24.9411; 11.4329; 26.1884 90; 116.585; 90 | 6678.1 | Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N. Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts Energy & Environmental Science, 2014, 7, 1477 |
| 1514150 | CIF | C30 H30 Cu3 O24 | P -3 m 1 | 18.65; 18.65; 6.8329 90; 90; 120 | 2058.2 | McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A. The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework. Nanoscale, 2014, 6, 4163-4173 |
| 1514151 | CIF | C34.5 H36 Cu3 O22.5 | P -3 m 1 | 18.695; 18.695; 6.9489 90; 90; 120 | 2103.3 | McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A. The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework. Nanoscale, 2014, 6, 4163-4173 |
| 1514152 | CIF | C33.5 H32 Cu3 O21.5 | P -3 m 1 | 18.7034; 18.7034; 6.878 90; 90; 120 | 2083.69 | McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A. The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework. Nanoscale, 2014, 6, 4163-4173 |
| 1514153 | CIF | C35 H38 Cu3 O23 | P -3 m 1 | 18.6631; 18.6631; 6.9006 90; 90; 120 | 2081.5 | McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A. The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework. Nanoscale, 2014, 6, 4163-4173 |
| 1514154 | CIF | C38 H50 Cu3 O26 | P -3 m 1 | 18.5495; 18.5495; 6.8063 90; 90; 120 | 2028.2 | McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A. The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework. Nanoscale, 2014, 6, 4163-4173 |
| 1514155 | CIF | C33 H32 Cu3 O22 | P -3 m 1 | 18.577; 18.577; 6.8406 90; 90; 120 | 2044.4 | McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A. The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework. Nanoscale, 2014, 6, 4163-4173 |
| 1514156 | CIF | C36 H40 Cu3 O23 | P -3 m 1 | 18.459; 18.459; 6.7489 90; 90; 120 | 1991.5 | McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A. The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework. Nanoscale, 2014, 6, 4163-4173 |
| 1514157 | CIF | C30 H37 Cu3 O27.5 | P -3 m 1 | 18.623; 18.623; 6.8973 90; 90; 120 | 2071.6 | McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A. The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework. Nanoscale, 2014, 6, 4163-4173 |
| 1514158 | CIF | C37 H32.5 Cu3 N3.5 O20 | P -3 m 1 | 18.5488; 18.5488; 6.9375 90; 90; 120 | 2067.1 | McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A. The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework. Nanoscale, 2014, 6, 4163-4173 |
| 1514159 | CIF | C35 H31 Cu3 N2.5 O21 | P -3 m 1 | 18.5877; 18.5877; 6.874 90; 90; 120 | 2056.8 | McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A. The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework. Nanoscale, 2014, 6, 4163-4173 |
| 1514160 | CIF | C33 H35 Cu3 N O21.5 | P -3 m 1 | 18.626; 18.626; 6.8687 90; 90; 120 | 2063.7 | McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A. The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework. Nanoscale, 2014, 6, 4163-4173 |
| 1514161 | CIF | C32 H32 Cu3 N O22 | P -3 m 1 | 18.577; 18.577; 6.841 90; 90; 120 | 2044.6 | McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A. The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework. Nanoscale, 2014, 6, 4163-4173 |
| 1514162 | CIF | C38 H40 Cu3 O25 | P -3 m 1 | 18.542; 18.542; 6.8114 90; 90; 120 | 2028.1 | McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A. The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework. Nanoscale, 2014, 6, 4163-4173 |
| 1514163 | CIF | C42 H48 Cu3 O27 | P -3 m 1 | 18.2591; 18.2591; 6.6274 90; 90; 120 | 1913.5 | McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A. The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework. Nanoscale, 2014, 6, 4163-4173 |
| 1514164 | CIF | C34 H32 Cu3 O23 | P -3 m 1 | 17.991; 17.991; 6.5371 90; 90; 120 | 1832.4 | McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A. The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework. Nanoscale, 2014, 6, 4163-4173 |
| 1514165 | CIF | C18 H26 Cu3 O22 | F m -3 m | 26.315; 26.315; 26.315 90; 90; 90 | 18223 | McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A. The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework. Nanoscale, 2014, 6, 4163-4173 |
| 1514166 | CIF | C18 H38 Cu3 O28 | F m -3 m | 26.37; 26.37; 26.37 90; 90; 90 | 18337 | McKellar, Scott C.; Graham, Alexander J.; Allan, David R.; Mohideen, M Infas H; Morris, Russell E.; Moggach, Stephen A. The effect of pressure on the post-synthetic modification of a nanoporous metal-organic framework. Nanoscale, 2014, 6, 4163-4173 |
| 1514167 | CIF | C21 H20 N9 O10 Sm | P 1 21/c 1 | 6.0157; 21.542; 18.412 90; 92.247; 90 | 2384.2 | Ahmad, Waqar; Zhang, Lijuan; Zhou, Yunshan A series of mononuclear lanthanide complexes featuring 3-D supramolecular networks: synthesis, characterization and luminescent properties for sensing guest molecules. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 660-670 |
| 1514168 | CIF | C21 H20 N9 O10 Tb | P 1 21/c 1 | 5.9758; 21.4942; 18.3468 90; 91.887; 90 | 2355.3 | Ahmad, Waqar; Zhang, Lijuan; Zhou, Yunshan A series of mononuclear lanthanide complexes featuring 3-D supramolecular networks: synthesis, characterization and luminescent properties for sensing guest molecules. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 660-670 |
| 1514169 | CIF | C20 H19 O7 P | P -1 | 9.2111; 9.985; 10.545 95.976; 90.822; 105.171 | 930.09 | Morel, Flavien L.; Ranocchiari, Marco; van Bokhoven, Jeroen A. Synthesis and Characterization of Phosphine-Functionalized Metal–Organic Frameworks Based on MOF-5 and MIL-101 Topologies Industrial & Engineering Chemistry Research, 2014, 53, 9120 |
| 1514170 | CIF | C28 H38 O10 | P 1 21 1 | 14.8427; 12.9239; 15.4124 90; 118.131; 90 | 2607.2 | Xia, Hong-Min; Li, Chuang-Jun; Yang, Jing-Zhi; Ma, Jie; Chen, Xiao-Guang; Zhang, Dan; Li, Li; Zhang, Dong-Ming A,D-seco-Limonoids from the Stems of Clausena emarginata. Journal of natural products, 2014, 77, 784-791 |
| 1514171 | CIF | C29.679 H32.144 O11.107 | P 1 21/c 1 | 10.8156; 19.5038; 13.2864 90; 93.594; 90 | 2797.2 | Nagasawa, Ikuko; Kaneko, Akira; Suzuki, Toshihiro; Nishio, Kazuto; Kinoshita, Kaoru; Shiro, Motto; Koyama, Kiyotaka Potential Anti-angiogenesis Effects of p-Terphenyl Compounds from Polyozellus multiplex. Journal of natural products, 2014, 77, 963-968 |
| 1514172 | CIF | C9 H13 Cl O4 | P 1 21 1 | 9.6443; 4.7764; 11.5683 90; 94.929; 90 | 530.92 | Chang, Ya-Chih; Lu, Chung-Kuang; Chiang, Yin-Ru; Wang, Guei-Jane; Ju, Yu-Ming; Kuo, Yueh-Hsiung; Lee, Tzong-Huei Diterpene Glycosides and Polyketides from Xylotumulus gibbisporus. Journal of natural products, 2014, 77, 751-757 |
| 1514173 | CIF | C20 H20 O6 | P 1 21 1 | 10.8732; 6.6552; 12.7886 90; 105.053; 90 | 893.67 | Bautista, Elihú; Toscano, Rubén A; Ortega, Alfredo 5,10-seco-neo-Clerodanes and neo-Clerodanes from Salvia microphylla. Journal of natural products, 2014, 77, 1088-1092 |
| 1514174 | CIF | C20 H28 O4 | P 21 21 21 | 8.227; 11.0537; 18.858 90; 90; 90 | 1714.9 | Feng, Yu; Ren, Fengxia; Niu, Shubin; Wang, Lin; Li, Li; Liu, Xingzhong; Che, Yongsheng Guanacastane Diterpenoids from the Plant Endophytic Fungus Cercospora sp. Journal of natural products, 2014, 77, 873-881 |
| 1514175 | CIF | C40 H50 O8 | C 1 2 1 | 12.8255; 11.1968; 12.6545 90; 107.183; 90 | 1736.13 | Feng, Yu; Ren, Fengxia; Niu, Shubin; Wang, Lin; Li, Li; Liu, Xingzhong; Che, Yongsheng Guanacastane Diterpenoids from the Plant Endophytic Fungus Cercospora sp. Journal of natural products, 2014, 77, 873-881 |
| 1514176 | CIF | C21 H22 O10 | C 1 c 1 | 4.3655; 49.452; 8.9782 90; 91.731; 90 | 1937.4 | Li, Hanxiang; Jiang, Jieyi; Liu, Zhaoming; Lin, Shaoe; Xia, Guoping; Xia, Xuekui; Ding, Bo; He, Lei; Lu, Yongjun; She, Zhigang Peniphenones A-D from the Mangrove Fungus Penicillium dipodomyicola HN4-3A as Inhibitors of Mycobacterium tuberculosis Phosphatase MptpB. Journal of natural products, 2014, 77, 800-806 |
| 1514177 | CIF | C15 H16 O6 | P 21 21 21 | 4.5279; 15.4658; 19.9377 90; 90; 90 | 1396.19 | Li, Hanxiang; Jiang, Jieyi; Liu, Zhaoming; Lin, Shaoe; Xia, Guoping; Xia, Xuekui; Ding, Bo; He, Lei; Lu, Yongjun; She, Zhigang Peniphenones A-D from the Mangrove Fungus Penicillium dipodomyicola HN4-3A as Inhibitors of Mycobacterium tuberculosis Phosphatase MptpB. Journal of natural products, 2014, 77, 800-806 |
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