Crystallography Open Database
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Searching space group like 'R -3'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4001424 | CIF | Cu3.02 Mg2.27 Mo18 S24 | R -3 | 9.594; 9.594; 10.435 90; 90; 120 | 831.8 | Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M. Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction Chemistry of Materials, 2007, 19, 5131 |
| 4001425 | CIF | Cu4.66 Mg3.31 Mo18 S24 | R -3 | 9.724; 9.724; 10.392 90; 90; 120 | 851 | Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M. Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction Chemistry of Materials, 2007, 19, 5131 |
| 4001426 | CIF | Cu1.21 Mg5.4 Mo18 S24 | R -3 | 9.705; 9.705; 10.405 90; 90; 120 | 848.7 | Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M. Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction Chemistry of Materials, 2007, 19, 5131 |
| 4001427 | CIF | Cu3.06 Mg0.2 Mo18 S24 | R -3 | 9.448; 9.448; 10.392 90; 90; 120 | 803.4 | Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M. Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction Chemistry of Materials, 2007, 19, 5131 |
| 4001428 | CIF | Cu2.56 Mg0.77 Mo18 S24 | R -3 | 9.462; 9.462; 10.434 90; 90; 120 | 809 | Levi, E.; Mitelman, A.; Aurbach, D.; Brunelli, M. Structural Mechanism of the Phase Transitions in the Mg−Cu−Mo6S8System Probed by ex Situ Synchrotron X-ray Diffraction Chemistry of Materials, 2007, 19, 5131 |
| 4001596 | CIF | Mg Mo6 S8 | R -3 | 9.4592714; 9.4592714; 10.5588446 90; 90; 120 | 818.206 | Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Ceder, G.; Morgan, D.; Isnard, O. Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 1. Crystal Structure of the Sulfides Chemistry of Materials, 2006, 18, 5492 |
| 4001597 | CIF | Mg2 Mo6 S8 | R -3 | 9.7630596; 9.7630596; 10.3689375 90; 90; 120 | 855.927 | Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Ceder, G.; Morgan, D.; Isnard, O. Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 1. Crystal Structure of the Sulfides Chemistry of Materials, 2006, 18, 5492 |
| 4032898 | CIF | C19 H19 N O4 | R -3 | 35.153; 35.153; 8.9968 90; 90; 120 | 9628.2 | Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun [3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones. The Journal of organic chemistry, 2017, 82, 10680-10686 |
| 4079804 | CIF | C101.36 H87.69 Cl6.39 Fe6 Ga2 N3 O13.56 | R -3 | 68.226; 68.226; 12.7521 90; 90; 120 | 51406 | Raja, Muthukrishna; Iyer, Ratnasabapathy G.; Gwengo, Chengeto; Reger, Daniel L.; Pellechia, Perry J.; Smith, Mark D.; Pascui, Andrea E. Design, Synthesis, and Structural Characterization of a New Class of Ferrocene-Containing Heterometallic Triple-Stranded Helicates Organometallics, 2013, 32, 95 |
| 4079805 | CIF | C107.61 H103.36 Cl4.33 Fe6 In2 N3 O15.29 | R -3 | 67.44; 67.44; 12.8588 90; 90; 120 | 50648 | Raja, Muthukrishna; Iyer, Ratnasabapathy G.; Gwengo, Chengeto; Reger, Daniel L.; Pellechia, Perry J.; Smith, Mark D.; Pascui, Andrea E. Design, Synthesis, and Structural Characterization of a New Class of Ferrocene-Containing Heterometallic Triple-Stranded Helicates Organometallics, 2013, 32, 95 |
| 4080387 | CIF | C94 H90 O8 Si8 | R -3 | 68.514; 68.514; 10.822 90; 90; 120 | 43994 | Panisch, Robin; Bassindale, Alan R.; Korlyukov, Alexander A.; Pitak, Mateusz B.; Coles, Simon J.; Taylor, Peter G. Selective Derivatization and Characterization of Bifunctional “Janus-Type” Cyclotetrasiloxanes Organometallics, 2013, 32, 1732 |
| 4081903 | CIF | C24 H33.33 Cl Ir N3 | R -3 | 21.557; 21.557; 26.611 90; 90; 120 | 10709 | Specht, Zephen G.; Grotjahn, Douglas B.; Moore, Curtis E.; Rheingold, Arnold L. Effects of Hindrance in N-Pyridyl Imidazolylidenes Coordinated to Iridium on Structure and Catalysis Organometallics, 2013, 32, 6400 |
| 4083592 | CIF | C25 H22 F3 N4 O3 S | R -3 | 34.2772; 34.2772; 14.1208 90; 90; 120 | 14368.1 | Mejuto, Carmen; Guisado-Barrios, Gregorio; Peris, Eduardo Novel Rhodium and Iridium Complexes Coordinated toC3-Symmetric Tris-NHC Ligands Based on a 1,3,5-Triphenylbenzene Core. Electronic and Catalytic Properties Organometallics, 2014, 33, 3205 |
| 4086585 | CIF | C76 H103 Cl4 P4 Rh | R -3 | 31.949; 31.949; 42.298 90; 90; 120 | 37391 | Miura-Akagi, Preston M.; Nakashige, Mika L.; Maile, Caitlin K.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Royappa, A. Timothy; Krause, Colleen E.; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F. Synthesis of a Tris(phosphaalkene)phosphine Ligand and Fundamental Organometallic Reactions on Its Sterically Shielded Metal Complexes Organometallics, 2016, 35, 2224 |
| 4106314 | CIF | C20 H36 Cl Cu F5 K N6 O3 | R -3 | 26.038; 26.038; 21.702 90; 90; 120 | 12742 | Ilya Popov; Sergey Lindeman; Olafs Daugulis Copper-Catalyzed Arylation of 1H-Perfluoroalkanes Journal of the American Chemical Society, 2011, 133, 9286-9289 |
| 4122608 | CIF | C45 H53 B Fe N7 P | R -3 | 29.0822; 29.0822; 32.064 90; 90; 120 | 23485.7 | Lin, Hsiu-Jung; Siretanu, Diana; Dickie, Diane A.; Subedi, Deepak; Scepaniak, Jeremiah J.; Mitcov, Dmitri; Clérac, Rodolphe; Smith, Jeremy M. Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes. Journal of the American Chemical Society, 2014, 136, 13326-13332 |
| 4124286 | CIF | C44.67 H37 N6.33 | R -3 | 22.2705; 22.2705; 17.9544 90; 90; 120 | 7711.9 | Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser Redox Control of the Binding Modes of an Organic Receptor. Journal of the American Chemical Society, 2015, 137, 11057-11068 |
| 4124287 | CIF | C122 H117 N19 | R -3 | 22.3679; 22.3679; 17.9046 90; 90; 120 | 7757.9 | Frasconi, Marco; Fernando, Isurika R.; Wu, Yilei; Liu, Zhichang; Liu, Wei-Guang; Dyar, Scott M.; Barin, Gokhan; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser Redox Control of the Binding Modes of an Organic Receptor. Journal of the American Chemical Society, 2015, 137, 11057-11068 |
| 4124544 | CIF | C56 H42 F3 N5 O4 P2 Ru | R -3 | 35.8458; 35.8458; 23.382 90; 90; 120 | 26018.9 | Geri, Jacob B.; Szymczak, Nathaniel K. A Proton-Switchable Bifunctional Ruthenium Complex That Catalyzes Nitrile Hydroboration. Journal of the American Chemical Society, 2015, 137, 12808-12814 |
| 4125162 | CIF | C192 Cu24 N24 O168 | R -3 | 36.076; 36.076; 29.2307 90; 90; 120 | 32946 | Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M. Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra. Journal of the American Chemical Society, 2016, 138, 9646-9654 |
| 4125164 | CIF | C36 Cu4 O20 | R -3 | 35.66; 35.66; 30.219 90; 90; 120 | 33279 | Chen, Teng-Hao; Wang, Le; Trueblood, Jonathan V.; Grassian, Vicki H.; Cohen, Seth M. Poly(isophthalic acid)(ethylene oxide) as a Macromolecular Modulator for Metal-Organic Polyhedra. Journal of the American Chemical Society, 2016, 138, 9646-9654 |
| 4125391 | CIF | C379 H345 Ag63 B Cl6 F71.41 P8 S36 | R -3 | 25.3369; 25.3369; 114.6628 90; 90; 120 | 63747 | Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes. Journal of the American Chemical Society, 2017, 139, 31-34 |
| 4125392 | CIF | C315 Ag63 Br F72 P8 S36 | R -3 | 25.2879; 25.2879; 114.758 90; 90; 120 | 63553.5 | Yang, Huayan; Yan, Juanzhu; Wang, Yu; Su, Haifeng; Gell, Lars; Zhao, Xiaojing; Xu, Chaofa; Teo, Boon K.; Häkkinen, Hannu; Zheng, Nanfeng Embryonic Growth of Face-Center-Cubic Silver Nanoclusters Shaped in Nearly Perfect Half-Cubes and Cubes. Journal of the American Chemical Society, 2017, 139, 31-34 |
| 4125482 | CIF | C324 H216 N40 Ru6 | R -3 | 30.4451; 30.4451; 96.083 90; 90; 120 | 77128 | Chakraborty, Sourav; Hong, Wei; Endres, Kevin J.; Xie, Ting-Zheng; Wojtas, Lukasz; Moorefield, Charles N.; Wesdemiotis, Chrys; Newkome, George R. Terpyridine-Based, Flexible Tripods: From a Highly Symmetric Nanosphere to Temperature-Dependent, Irreversible, 3D Isomeric Macromolecular Nanocages. Journal of the American Chemical Society, 2017, 139, 3012-3020 |
| 4125590 | CIF | C23 H29 B F4 O2 | R -3 | 27.2965; 27.2965; 16.2071 90; 90; 120 | 10458 | Lange, Ralph Z.; Hofer, Gregor; Weber, Thomas; Schlüter, A Dieter A Two-Dimensional Polymer Synthesized through Topochemical [2 + 2]-Cycloaddition on the Multigram Scale. Journal of the American Chemical Society, 2017, 139, 2053-2059 |
| 4125712 | CIF | C23 H28.16 B F4 O1.75 | R -3 | 27.0338; 27.0338; 16.1483 90; 90; 120 | 10220.5 | Lange, Ralph Z.; Hofer, Gregor; Weber, Thomas; Schlüter, A Dieter A Two-Dimensional Polymer Synthesized through Topochemical [2 + 2]-Cycloaddition on the Multigram Scale. Journal of the American Chemical Society, 2017, 139, 2053-2059 |
| 4126184 | CIF | C7.5 H4 Cl0.5 N4.25 O0.5 Zn | R -3 | 26.9457; 26.9457; 26.763 90; 90; 120 | 16828.5 | Yang, Jingjing; Zhang, Yue-Biao; Liu, Qi; Trickett, Christopher A.; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Cong, Hengjiang; Aldossary, Abdulrahman; Deng, Hexiang; Yaghi, Omar M. Principles of Designing Extra-Large Pore Openings and Cages in Zeolitic Imidazolate Frameworks. Journal of the American Chemical Society, 2017, 139, 6448-6455 |
| 4126524 | CIF | C58 H82 Ga2 N4 P8 | R -3 | 39.4235; 39.4235; 31.194 90; 90; 120 | 41987 | Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J. Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus. Journal of the American Chemical Society, 2017 |
| 4126610 | CIF | C11.78 H9.57 Co2 O6 | R -3 | 25.72; 25.72; 6.853 90; 90; 120 | 3926 | Bachman, Jonathan E.; Kapelewski, Matthew T.; Reed, Douglas A.; Gonzalez, Miguel I.; Long, Jeffrey R. M2(m-dobdc) (M = Mn, Fe, Co, Ni) Metal-Organic Frameworks as Highly-Selective, High-Capacity Adsorbents for Olefin/Paraffin Separations. Journal of the American Chemical Society, 2017 |
| 4126638 | CIF | C88 H48 | R -3 | 30.7121; 30.7121; 35.4811 90; 90; 120 | 28983.2 | Berezhnaia, Veronika; Roy, Myriam; Vanthuyne, Nicolas; Villa, Marco; Naubron, Jean-Valère; Rodriguez, Jean; Coquerel, Yoann; Gingras, Marc A Chiral Nanographene Propeller Embedding Six Enantiomerically Stable [5]Helicene Units. Journal of the American Chemical Society, 2017 |
| 4126752 | CIF | C2 H8.67 Mn0.67 N0.67 O4 P2 | R -3 | 9.886; 9.886; 41.171 90; 90; 120 | 3484.7 | Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K. [Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand. Journal of the American Chemical Society, 2017 |
| 4126913 | CIF | C18 Cl18 N6 O79 Rb3 Ti12 | R -3 | 18.3578; 18.3578; 62.096 90; 90; 120 | 18123.2 | Zhang, Guanyun; Li, Wenyun; Liu, Caiyun; Jia, Jiong; Tung, Chen-Ho; Wang, Yifeng Titanium-Oxide Host Clusters with Exchangeable Guests. Journal of the American Chemical Society, 2017 |
| 4303147 | CIF | Mn3 Mo18 S24 | R -3 | 9.467; 9.467; 10.523 90; 90; 120 | 816.8 | Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility Inorganic Chemistry, 2009, 48, 8751-8758 |
| 4303148 | CIF | Mo6 Na S8 | R -3 | 9.231; 9.231; 11.237 90; 90; 120 | 829.2 | Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility Inorganic Chemistry, 2009, 48, 8751-8758 |
| 4303149 | CIF | Mo6 Na Se8 | R -3 | 9.572; 9.572; 11.716 90; 90; 120 | 929.6 | Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility Inorganic Chemistry, 2009, 48, 8751-8758 |
| 4303150 | CIF | Cd3 Mo18 S24 | R -3 | 9.424; 9.424; 10.75 90; 90; 120 | 826.8 | Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility Inorganic Chemistry, 2009, 48, 8751-8758 |
| 4303151 | CIF | Cd3 Mo18 Se24 | R -3 | 9.793; 9.793; 11.192 90; 90; 120 | 929.5 | Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility Inorganic Chemistry, 2009, 48, 8751-8758 |
| 4303152 | CIF | Mo18 S24 Zn3 | R -3 | 9.545; 9.545; 10.296 90; 90; 120 | 812.4 | Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility Inorganic Chemistry, 2009, 48, 8751-8758 |
| 4303153 | CIF | Mo18 Se24 Zn3 | R -3 | 9.91; 9.91; 10.732 90; 90; 120 | 912.8 | Elena Levi; Gregory Gershinsky; Doron Aurbach; Olivier Isnard Crystallography of Chevrel Phases, MMo6T8 (M = Cd, Na, Mn, and Zn, T = S, Se) and Their Cation Mobility Inorganic Chemistry, 2009, 48, 8751-8758 |
| 4337903 | CIF | C28 H45 Bi N2 Si | R -3 | 28.7503; 28.7503; 9.8541 90; 90; 120 | 7053.9 | Schwamm, Ryan J.; Day, Benjamin M.; Coles, Martyn P.; Fitchett, Christopher M. Low-Coordinate Bismuth Cations. Inorganic chemistry, 2014, 53, 3778 |
| 4338060 | CIF | C12 H15 Cu2 I2 N7 | R -3 | 31.9572; 31.9572; 9.5202 90; 90; 120 | 8420 | Haldón, Estela; Delgado-Rebollo, Manuela; Prieto, Auxiliadora; Alvarez, Eleuterio; Maya, Celia; Nicasio, M. Carmen; Pérez, Pedro J Synthesis, Structural Characterization, Reactivity, and Catalytic Properties of Copper(I) Complexes with a Series of Tetradentate Tripodal Tris(pyrazolylmethyl)amine Ligands. Inorganic chemistry, 2014, 53, 4192-4201 |
| 4338513 | CIF | F31 K7 U6 | R -3 | 15.1426; 15.1426; 10.3856 90; 90; 120 | 2062.4 | Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua; Möller, Angela; Zur Loye, Hans-Conrad Mild Hydrothermal Crystal Growth, Structure, and Magnetic Properties of Ternary U(IV) Containing Fluorides: LiUF5, KU2F9, K7U6F31, RbUF5, RbU2F9, and RbU3F13. Inorganic chemistry, 2014, 53, 6289-6298 |
| 4338840 | CIF | Mg3 Mo18 Se24 | R -3 | 9.8489; 9.8489; 11.0567 90; 90; 120 | 928.82 | Levi, E.; Mitelman, A.; Aurbach, D.; Isnard, O. On the mechanism of triclinic distortion in Chevrel Phase as probed by in-situ neutron diffraction. Inorganic chemistry, 2007, 46, 7528-7535 |
| 4340372 | CIF | C53 H53 Cl6 Cu3 N3 O12 | R -3 | 31.932; 31.932; 38.4178 90; 90; 120 | 33924.6 | Rancan, Marzio; Tessarolo, Jacopo; Casarin, Maurizio; Zanonato, Pier Luigi; Quici, Silvio; Armelao, Lidia Double level selection in a constitutional dynamic library of coordination driven supramolecular polygons. Inorganic chemistry, 2014, 53, 7276-7287 |
| 4340374 | CIF | C20 H22 Cl6 Cu N O4.33 P0.33 | R -3 | 22.1525; 22.1525; 31.1429 90; 90; 120 | 13235.3 | Rancan, Marzio; Tessarolo, Jacopo; Casarin, Maurizio; Zanonato, Pier Luigi; Quici, Silvio; Armelao, Lidia Double level selection in a constitutional dynamic library of coordination driven supramolecular polygons. Inorganic chemistry, 2014, 53, 7276-7287 |
| 4342142 | CIF | C21 H21 Ga2 N3 | R -3 | 19.2352; 19.2352; 33.3633 90; 90; 120 | 10690.4 | Maheswari, K.; Rao, A. Ramakrishna; Reddy, N. Dastagiri Insertion of benzonitrile into Al-N and ga-N bonds: formation of fused carbatriaza-gallanes/alanes and their subsequent synthesis from amidines and trimethyl-gallium/aluminum. Inorganic chemistry, 2015, 54, 2000-2008 |
| 4342488 | CIF | C540 H471 B24 Co12 F96 N108 O37.5 | R -3 | 44.705; 44.705; 68.621 90; 90; 120 | 118768 | Cullen, William; Hunter, Christopher A.; Ward, Michael D. An Interconverting Family of Coordination Cages and a meso-Helicate; Effects of Temperature, Concentration, and Solvent on the Product Distribution of a Self-Assembly Process. Inorganic chemistry, 2015, 54, 2626-2637 |
| 4343342 | CIF | C48 H36 O13.5 Zn2.83 | R -3 | 29.923; 29.923; 37.639 90; 90; 120 | 29186 | Wang, Rongming; Zhang, Minghui; Liu, Xiaobin; Zhang, Liangliang; Kang, Zixi; Wang, Wen; Wang, Xiaoqing; Dai, Fangna; Sun, Daofeng Tuning the Dimensionality of Interpenetration in a Pair of Framework-Catenation Isomers To Achieve Selective Adsorption of CO2 and Fluorescent Sensing of Metal Ions. Inorganic chemistry, 2015, 54, 6084-6086 |
| 4343343 | CIF | C15.89 H12.89 O4.17 Zn1.33 | R -3 | 29.706; 29.706; 7.8313 90; 90; 120 | 5984.8 | Wang, Rongming; Zhang, Minghui; Liu, Xiaobin; Zhang, Liangliang; Kang, Zixi; Wang, Wen; Wang, Xiaoqing; Dai, Fangna; Sun, Daofeng Tuning the Dimensionality of Interpenetration in a Pair of Framework-Catenation Isomers To Achieve Selective Adsorption of CO2 and Fluorescent Sensing of Metal Ions. Inorganic chemistry, 2015, 54, 6084-6086 |
| 4344413 | CIF | C116 H110 Cl2 N42 Ni8 O9 | R -3 | 15.1763; 15.1763; 47.0687 90; 90; 120 | 9388.5 | Luo, Dong; Zhou, Xiao-Ping; Li, Dan Solvothermal Subcomponent Self-Assembly of Cubic Metal-Imidazolate Cages and Their Coordination Polymers. Inorganic chemistry, 2015, 54, 10822-10828 |
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