Crystallography Open Database
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Searching journal of publication like 'Chemical Science' volume of publication is 1
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1515761 | CIF | C70 H128 O23 V6 | P -1 | 11.232; 13.693; 14.106 96.27; 91.4; 90.45 | 2155.8 | Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L. Low-valent vanadium catecholate clusters Chemical Science, 2010, 1, 221 |
| 1515762 | CIF | C98 H124 O24 V6 | P 1 21/n 1 | 11.486; 28.417; 14.966 90; 100.286; 90 | 4806 | Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L. Low-valent vanadium catecholate clusters Chemical Science, 2010, 1, 221 |
| 1515763 | CIF | C62 H98 O11 V2 | P -1 | 11.2421; 14.0373; 21.6847 105.957; 93.77; 95.885 | 3257 | Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L. Low-valent vanadium catecholate clusters Chemical Science, 2010, 1, 221 |
| 1515764 | CIF | C67 H120 O24 V6 | P -1 | 13.52; 18.22; 19.29 89.59; 74.53; 82.69 | 4540.6 | Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L. Low-valent vanadium catecholate clusters Chemical Science, 2010, 1, 221 |
| 1515765 | CIF | C62 H98 O13 V2 | P 1 21/c 1 | 13.7603; 11.8807; 20.3294 90; 95.249; 90 | 3309.6 | Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L. Low-valent vanadium catecholate clusters Chemical Science, 2010, 1, 221 |
| 1515766 | CIF | C24 H16 S2 | P 1 21 1 | 11.686; 7.737; 10.674 90; 114.187; 90 | 880.4 | Kang, Myeong Jin; Yamamoto, Tatsuya; Shinamura, Shoji; Miyazaki, Eigo; Takimiya, Kazuo Unique three-dimensional (3D) molecular array in dimethyl-DNTT crystals: a new approach to 3D organic semiconductors Chemical Science, 2010, 1, 179 |
| 1515767 | CIF | C24 H16 S2 | P 1 21/n 1 | 6.148; 7.535; 18.559 90; 97.924; 90 | 851.5 | Kang, Myeong Jin; Yamamoto, Tatsuya; Shinamura, Shoji; Miyazaki, Eigo; Takimiya, Kazuo Unique three-dimensional (3D) molecular array in dimethyl-DNTT crystals: a new approach to 3D organic semiconductors Chemical Science, 2010, 1, 179 |
| 1515770 | CIF | C21 H34 B Cl3 Ga2 N6 S3 | R -3 :H | 15.7834; 15.7834; 21.1015 90; 90; 120 | 4552.4 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515771 | CIF | C27 H40 B Ga2 I3 N6 S3 | P 1 21/c 1 | 17.1401; 11.9049; 19.0672 90; 100.615; 90 | 3824.1 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515772 | CIF | C25 H40 B Ga2 I3 N8 S3 | P -1 | 11.0854; 11.1373; 16.5062 76.455; 83.638; 80.982 | 1950.9 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515773 | CIF | C50 H80 B2 Ga4 I5 N16 S6 | P 1 21/c 1 | 30.236; 10.3955; 27.107 90; 110.589; 90 | 7976 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515774 | CIF | C46 H74 B2 Ga3 I3 N14 S6 | P b a 2 | 14.953; 20.106; 11.2381 90; 90; 90 | 3378.7 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515775 | CIF | C56 H84 B2 Ga I N12 S6 | C 1 2/c 1 | 28.73; 11.539; 19.666 90; 102.55; 90 | 6363.8 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515776 | CIF | C45 H43 B2 F15 Ga N9 S3 | P -3 | 16.5444; 16.5444; 11.2559 90; 90; 120 | 2668.2 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515777 | CIF | C27 H40 B Cl3 Ga2 N6 S4 | P 1 21/c 1 | 15.8552; 12.7781; 18.4005 90; 100.18; 90 | 3669.2 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515778 | CIF | C23 H37 B Cl5 Ga2 N7 S3 | P 1 21/n 1 | 16.0697; 17.5534; 26.6647 90; 95.197; 90 | 7490.6 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515779 | CIF | C23 H36 B Cl11 Ga2 N6 S3 | P -1 | 11.0927; 14.4146; 16.1852 98.23; 107.155; 112.117 | 2194.38 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515780 | CIF | C33 H46 B Cl5 Ga2 N6 S3 | P -1 | 11.9637; 13.0055; 16.595 99.187; 102.166; 113.54 | 2226.7 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515781 | CIF | C54 H86 B2 Ga2 I2 N18 S6 | P -3 | 11.4967; 11.4967; 16.993 90; 90; 120 | 1945.1 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515782 | CIF | C48 H80 B2 Cl8 Ga4 N12 O2 S6 | P -1 | 11.241; 11.857; 15.252 110.582; 107.533; 94.069 | 1778.7 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515783 | CIF | C27 H40 B Ga I2 N6 S3 | P 1 21/n 1 | 11.6794; 16.382; 19.208 90; 91.443; 90 | 3673.9 | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment Chemical Science, 2010, 1, 210 |
| 1515784 | CIF | C24 H8 Cl Fe4 N32 O4 | P m -3 m | 18.8235; 18.8235; 18.8235 90; 90; 90 | 6669.6 | Sumida, Kenji; Horike, Satoshi; Kaye, Steven S.; Herm, Zoey R.; Queen, Wendy L.; Brown, Craig M.; Grandjean, Fernande; Long, Gary J.; Dailly, Anne; Long, Jeffrey R. Hydrogen storage and carbon dioxide capture in an iron-based sodalite-type metal‒organic framework (Fe-BTT) discovered via high-throughput methods Chemical Science, 2010, 1, 184 |
| 1515785 | CIF | C104 H151 N11 O10 | P 1 | 8.932; 12.45; 22.583 93.679; 100.549; 98.64 | 2429.96 | Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E. Acyclic indole and carbazole-based sulfate receptors Chemical Science, 2010, 1, 215 |
| 1515786 | CIF | C67 H99 N10 O7 P | P 1 21/n 1 | 14.786; 17.7836; 25.6491 90; 103.512; 90 | 6557.7 | Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E. Acyclic indole and carbazole-based sulfate receptors Chemical Science, 2010, 1, 215 |
| 1515787 | CIF | C67 H98 N10 O7 S | P -1 | 8.7802; 16.9156; 22.1638 88.1703; 85.7351; 82.7653 | 3255.72 | Gale, Philip A.; Hiscock, Jennifer R.; Jie, Chen Zhu; Hursthouse, Michael B.; Light, Mark E. Acyclic indole and carbazole-based sulfate receptors Chemical Science, 2010, 1, 215 |
| 1515788 | CIF | C9 H19 O4 P Si | P 1 21 1 | 9.5228; 7.4316; 9.7945 90; 103.092; 90 | 675.14 | Uraguchi, Daisuke; Ito, Takaki; Nakamura, Shinji; Ooi, Takashi Catalytic asymmetric hydrophosphonylation of ynones Chemical Science, 2010, 1, 488 |
| 1515789 | CIF | C6 H5 Cu Se | P 42/n :2 | 17.1243; 17.1243; 4.1859 90; 90; 90 | 1227.5 | Low, Kam-Hung; Li, Cheng-Hui; Roy, Vellaisamy A. L.; Chui, Stephen Sin-Yin; Chan, Sharon Lai-Fung; Che, Chi-Ming Homoleptic copper(i) phenylselenolate polymer as a single-source precursor for Cu2Se nanocrystals. Structure, photoluminescence and application in field-effect transistor Chemical Science, 2010, 1, 515 |
| 1515790 | CIF | C50 H58 O4.5 P | P 41 21 2 | 16.2608; 16.2608; 34.648 90; 90; 90 | 9161.4 | Rueping, Magnus; Theissmann, Thomas Asymmetric Brønsted acid catalysis in aqueous solution Chemical Science, 2010, 1, 473 |
| 1515791 | CIF | C48.5 H29 Cl O4 P Pd0.25 | C 1 2 1 | 25.774; 17.105; 22.731 90; 121.38; 90 | 8555 | Rueping, Magnus; Theissmann, Thomas Asymmetric Brønsted acid catalysis in aqueous solution Chemical Science, 2010, 1, 473 |
| 1515792 | CIF | C10 H22.32 F2 N2 O97 Si48 | P n m a | 19.959; 19.89; 13.407 90; 90; 90 | 5322 | Wheatley, Paul S.; Allan, Phoebe K.; Teat, Simon J.; Ashbrook, Sharon E.; Morris, Russell E. Task specific ionic liquids for the ionothermal synthesis of siliceous zeolites Chemical Science, 2010, 1, 483 |
| 1515793 | CIF | O16 Si8 | C m c 21 | 13.824; 17.42; 5.052 90; 90; 90 | 1216.59 | Wheatley, Paul S.; Allan, Phoebe K.; Teat, Simon J.; Ashbrook, Sharon E.; Morris, Russell E. Task specific ionic liquids for the ionothermal synthesis of siliceous zeolites Chemical Science, 2010, 1, 483 |
| 1515794 | CIF | C68 H88 Cl2 Ge2 O2 | I 1 2/m 1 | 14.3831; 10.975; 19.628 90; 95.579; 90 | 3083.7 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515795 | CIF | C72 H84 Cl2 Sn2 | I 1 2/m 1 | 14.908; 11.003; 19.38 90; 98.493; 90 | 3144.1 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515796 | CIF | C78 H102 Ge2 Sn2 | P 1 21/c 1 | 12.753; 11.666; 23.95 90; 90.305; 90 | 3563.1 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515797 | CIF | C67 H92.5 Ge2 O0.25 Si2 | P 1 21/c 1 | 12.915; 45.098; 22.5681 90; 98.67; 90 | 12994.4 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515798 | CIF | C80 H106 Si2 Sn2 | P 1 21/c 1 | 12.7007; 11.7079; 24.3198 90; 90.138; 90 | 3616.3 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515799 | CIF | C76 H94 O2 Sn2 | P -1 | 10.851; 12.507; 13.88 96.444; 97.785; 114.634 | 1666.5 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515800 | CIF | C82 H106 Sn2 | P -1 | 10.5215; 12.0825; 15.337 103.218; 107.001; 91.541 | 1805.9 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515801 | CIF | C203 H284 Ge4 | P 1 21/c 1 | 15.153; 22.6; 26.212 90; 100.842; 90 | 8816 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515802 | CIF | C84.6667 H123.6667 O0.16667 Sn2 | P -1 | 15.1577; 22.7946; 36.174 75.115; 84.218; 78.732 | 11829.5 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515803 | CIF | C60 H72 Cl4 Sn2 | P c c n | 20.3965; 15.7884; 17.1574 90; 90; 90 | 5525.2 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515804 | CIF | C80 H106 Cl2 Si2 Sn2 | P -1 | 11.3422; 12.9163; 15.1478 112.053; 103.247; 103.156 | 1877.18 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515805 | CIF | C76 H94 Cl2 O2 Sn2 | C 1 2/c 1 | 23.035; 10.8053; 27.61 90; 98.801; 90 | 6791.2 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515806 | CIF | C84 H122 Cl0.13 Ge2 I1.87 | P -1 | 11.9294; 18.4084; 20.7414 114.657; 105.431; 90.806 | 3949.4 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515807 | CIF | C42 H61 Cl Sn | C 1 2/c 1 | 16.5067; 9.4895; 26.1959 90; 108.267; 90 | 3896.6 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515808 | CIF | C80 H106 Cl1.7 Ge2 I0.3 Sn2 | P -1 | 11.4346; 12.9085; 15.1952 111.709; 103.674; 103.032 | 1899.2 | Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P. Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers Chemical Science, 2010, 1, 461 |
| 1515809 | CIF | C35 H52 N3 O6.5 Si2 | P -1 | 10.129; 18.6652; 21.536 75.478; 88.638; 78.94 | 3867 | Goldup, Stephen M.; Leigh, David A.; McBurney, Roy T.; McGonigal, Paul R.; Plant, Andrew Ligand-assisted nickel-catalysed sp3‒sp3 homocoupling of unactivated alkyl bromides and its application to the active template synthesis of rotaxanes Chemical Science, 2010, 1, 383 |
| 1515810 | CIF | C44.5 H65 N2 P2 V | P 1 21/c 1 | 14.3987; 10.4231; 28.2627 90; 98.277; 90 | 4197.5 | Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J. Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex Chemical Science, 2010, 1, 351 |
| 1515811 | CIF | C100 H155 N5 P6 V2 | C 1 2/c 1 | 32.471; 10.7761; 28.001 90; 95.454; 90 | 9753 | Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J. Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex Chemical Science, 2010, 1, 351 |
| 1515812 | CIF | C38 H50 N P2 V | P b c a | 18.1601; 19.1808; 20.2261 90; 90; 90 | 7045.3 | Andino, José G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J. Intermolecular C‒H bond activation of benzene and pyridines by a vanadium(iii) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex Chemical Science, 2010, 1, 351 |
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