Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 4505690 | CIF | C13 H10 Co0.5 N5 S | C m c a | 17.868; 18.614; 7.794 90; 90; 90 | 2592.2 | Son, Seung Uk; Park, Kang Hyun; Kim, Bo Yun; Chung, Young Keun Construction of Cylindrical Nanotubular Materials by Self-Assembly of Co(NCS)2with Bent-Building Blocks Having Diimidazole Rings Crystal Growth & Design, 2003, 3, 507 |
| 4505691 | CIF | C12 H9 Co0.5 N6 S | P 1 21/n 1 | 11.123; 9.217; 12.868 90; 95.967; 90 | 1312.1 | Son, Seung Uk; Park, Kang Hyun; Kim, Bo Yun; Chung, Young Keun Construction of Cylindrical Nanotubular Materials by Self-Assembly of Co(NCS)2with Bent-Building Blocks Having Diimidazole Rings Crystal Growth & Design, 2003, 3, 507 |
| 4505692 | CIF | C12 H10 Ag N5 O3 | P 1 21/c 1 | 15.025; 13.434; 6.742 90; 97.575; 90 | 1348.97 | Patra, Goutam Kumar; Goldberg, Israel Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials Crystal Growth & Design, 2003, 3, 321 |
| 4505693 | CIF | C15 H18 Ag Cl N4 O5 | P 1 21/c 1 | 8.273; 9.115; 23.483 90; 92.115; 90 | 1769.61 | Patra, Goutam Kumar; Goldberg, Israel Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials Crystal Growth & Design, 2003, 3, 321 |
| 4505694 | CIF | C43 H52 Ag2 B2 F8 N8 O2 | P 21 21 21 | 13.689; 15.624; 22.147 90; 90; 90 | 4736.73 | Patra, Goutam Kumar; Goldberg, Israel Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials Crystal Growth & Design, 2003, 3, 321 |
| 4505695 | CIF | C22 H34 Ag2 Cl2 N6 O8 | P b c a | 11.474; 15.117; 33.857 90; 90; 90 | 5872.58 | Patra, Goutam Kumar; Goldberg, Israel Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials Crystal Growth & Design, 2003, 3, 321 |
| 4505696 | CIF | C17 H20 Ag1.5 Cl1.5 N4 O6 | C 1 2/c 1 | 20.361; 12.998; 15.501 90; 98.549; 90 | 4056.8 | Patra, Goutam Kumar; Goldberg, Israel Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials Crystal Growth & Design, 2003, 3, 321 |
| 4505697 | CIF | C19 H21.5 Ag0.5 F3 N4.5 P0.5 | P -4 c 2 | 10.595; 10.595; 18.558 90; 90; 90 | 2083.21 | Patra, Goutam Kumar; Goldberg, Israel Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials Crystal Growth & Design, 2003, 3, 321 |
| 4505698 | CIF | C70 H60 Ag3 Cl3 N14 O12 | C 1 c 1 | 24.094; 18.061; 17.902 90; 119.257; 90 | 6796.5 | Patra, Goutam Kumar; Goldberg, Israel Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials Crystal Growth & Design, 2003, 3, 321 |
| 4505699 | CIF | C68 H48 Ag Cl N12 O4 | I 41/a :2 | 11.453; 11.453; 49.674 90; 90; 90 | 6515.8 | Patra, Goutam Kumar; Goldberg, Israel Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials Crystal Growth & Design, 2003, 3, 321 |
| 4505700 | CIF | C34 H24 N6 | C 1 2/c 1 | 26.311; 9.331; 11.778 90; 115.072; 90 | 2619.13 | Patra, Goutam Kumar; Goldberg, Israel Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials Crystal Growth & Design, 2003, 3, 321 |
| 4505701 | CIF | C39 H27 Cl3 O2 | C 1 2/c 1 | 29.977; 10.782; 19.184 90; 92.81; 90 | 6193 | Sumarna, Omay; Seidel, Jürgen; Weber, Edwin; Seichter, Wilhelm; Ibragimov, Bakhtiyar T.; Beketov, Kayrat M. Crystal Structure, Thermal Decomposition Behavior, and Order−Disorder Transition of the Guest Component of Concomitant Pseudodimorphic Clathrates between 2,2‘-Bis(9-hydroxy-9-fluorenyl)biphenyl Host and Chloroform Guest Crystal Growth & Design, 2003, 3, 541 |
| 4505702 | CIF | C40 H28 Cl6 O2 | C 1 2/c 1 | 29.741; 13.62; 18.123 90; 107.05; 90 | 7018 | Sumarna, Omay; Seidel, Jürgen; Weber, Edwin; Seichter, Wilhelm; Ibragimov, Bakhtiyar T.; Beketov, Kayrat M. Crystal Structure, Thermal Decomposition Behavior, and Order−Disorder Transition of the Guest Component of Concomitant Pseudodimorphic Clathrates between 2,2‘-Bis(9-hydroxy-9-fluorenyl)biphenyl Host and Chloroform Guest Crystal Growth & Design, 2003, 3, 541 |
| 4505703 | CIF | C9.5 H9.5 Er O9.5 | P 1 21/c 1 | 8.457; 17.225; 9.69 90; 112.22; 90 | 1306.7 | Michaelides, Adonis; Skoulika, Stavroula; Bakalbassis, Evangelos G.; Mrozinski, Jerzy Cyclic Water Hexamers and Decamers in a Porous Lanthanide−Organic Framework: Correlation between Some Physical Properties and Crystal Structure Crystal Growth & Design, 2003, 3, 487 |
| 4505704 | CIF | C6 H9 Cl N6 O3 | P 1 21/a 1 | 9.845; 24.574; 4.0392 90; 94.412; 90 | 974.3 | Kabir, Md. Khayrul; Tobita, Hiroshi; Matsuo, Hiroshi; Nagayoshi, Kunimitsu; Yamada, Koichi; Adachi, Keiichi; Sugiyama, Yuichi; Kitagawa, Susumu; Kawata, Satoshi Crystal Engineering Using the Versatility of 2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone with Organic and Metal Complex Partners Crystal Growth & Design, 2003, 3, 791 |
| 4505705 | CIF | C24 H16 Cl2 N6 O5 | P -1 | 12.6615; 10.93; 9.8978 63.737; 98.955; 113.111 | 1129.5 | Kabir, Md. Khayrul; Tobita, Hiroshi; Matsuo, Hiroshi; Nagayoshi, Kunimitsu; Yamada, Koichi; Adachi, Keiichi; Sugiyama, Yuichi; Kitagawa, Susumu; Kawata, Satoshi Crystal Engineering Using the Versatility of 2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone with Organic and Metal Complex Partners Crystal Growth & Design, 2003, 3, 791 |
| 4505706 | CIF | C36 H34 Cl2 Fe N6 O10 | P -1 | 8.987; 8.997; 22.177 95.714; 91.701; 90.42 | 1783.4 | Kabir, Md. Khayrul; Tobita, Hiroshi; Matsuo, Hiroshi; Nagayoshi, Kunimitsu; Yamada, Koichi; Adachi, Keiichi; Sugiyama, Yuichi; Kitagawa, Susumu; Kawata, Satoshi Crystal Engineering Using the Versatility of 2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone with Organic and Metal Complex Partners Crystal Growth & Design, 2003, 3, 791 |
| 4505707 | CIF | C12 H6 Cl2 O4 S4 | C 1 2/m 1 | 13.2793; 13.5889; 9.2486 90; 118.691; 90 | 1464 | Kabir, Md. Khayrul; Tobita, Hiroshi; Matsuo, Hiroshi; Nagayoshi, Kunimitsu; Yamada, Koichi; Adachi, Keiichi; Sugiyama, Yuichi; Kitagawa, Susumu; Kawata, Satoshi Crystal Engineering Using the Versatility of 2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone with Organic and Metal Complex Partners Crystal Growth & Design, 2003, 3, 791 |
| 4505708 | CIF | C24 H20 O4 Si | I 41/a :2 | 17.1641; 17.1641; 7.2676 90; 90; 90 | 2141.08 | Fournier, Jean-Hugues; Maris, Thierry; Simard, Michel; Wuest, James D. Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane Crystal Growth & Design, 2003, 3, 535 |
| 4505709 | CIF | C29 H28 O6 | P 1 21/c 1 | 10.243; 15.673; 15.412 90; 100.86; 90 | 2429.9 | Fournier, Jean-Hugues; Maris, Thierry; Simard, Michel; Wuest, James D. Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane Crystal Growth & Design, 2003, 3, 535 |
| 4505710 | CIF | C24 H22 O5 Si | C 1 2/c 1 | 14.962; 15.855; 19.697 90; 111.49; 90 | 4348 | Fournier, Jean-Hugues; Maris, Thierry; Simard, Michel; Wuest, James D. Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane Crystal Growth & Design, 2003, 3, 535 |
| 4505711 | CIF | C44 H72 N2 O4 | C 1 2/c 1 | 37.165; 5.0701; 23.508 90; 101.754; 90 | 4336.7 | Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J. Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides Crystal Growth & Design, 2003, 3, 555 |
| 4505712 | CIF | C44 H64 N2 O4 | P 1 21/c 1 | 13.5437; 10.0983; 15.0488 90; 93.253; 90 | 2054.88 | Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J. Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides Crystal Growth & Design, 2003, 3, 555 |
| 4505713 | CIF | C51 H70 N2 O4 | P 1 21/c 1 | 21.1142; 13.4289; 16.6656 90; 95.151; 90 | 4706.3 | Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J. Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides Crystal Growth & Design, 2003, 3, 555 |
| 4505714 | CIF | C52 H72 N2 O4 | P 1 21/n 1 | 6.1229; 13.001; 29.596 90; 92.197; 90 | 2354.2 | Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J. Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides Crystal Growth & Design, 2003, 3, 555 |
| 4505715 | CIF | C54 H76 N2 O4 | P -1 | 7.9247; 10.2438; 16.805 103.332; 93.4; 108.454 | 1246.19 | Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J. Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides Crystal Growth & Design, 2003, 3, 555 |
| 4505716 | CIF | C42 H36 N2 O4 | C 1 2/c 1 | 22.47; 9.0645; 19.9526 90; 123.935; 90 | 3371.7 | Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J. Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides Crystal Growth & Design, 2003, 3, 555 |
| 4505717 | CIF | C27 H30 N3 O6 | P 1 21/c 1 | 11.0067; 11.8485; 19.9299 90; 94.444; 90 | 2591.3 | Bhogala, Balakrishna R.; Nangia, Ashwini Cocrystals of 1,3,5-Cyclohexanetricarboxylic Acid with 4,4‘-Bipyridine Homologues: Acid···Pyridine Hydrogen Bonding in Neutral and Ionic Complexes Crystal Growth & Design, 2003, 3, 547 |
| 4505718 | CIF | C29 H32 N2 O6 | P 21 21 21 | 8.2623; 8.2625; 37.064 90; 90; 90 | 2530.3 | Bhogala, Balakrishna R.; Nangia, Ashwini Cocrystals of 1,3,5-Cyclohexanetricarboxylic Acid with 4,4‘-Bipyridine Homologues: Acid···Pyridine Hydrogen Bonding in Neutral and Ionic Complexes Crystal Growth & Design, 2003, 3, 547 |
| 4505719 | CIF | C15 H17 N O6 | P 1 21/c 1 | 12.43; 5.0616; 22.779 90; 90.41; 90 | 1433.1 | Bhogala, Balakrishna R.; Nangia, Ashwini Cocrystals of 1,3,5-Cyclohexanetricarboxylic Acid with 4,4‘-Bipyridine Homologues: Acid···Pyridine Hydrogen Bonding in Neutral and Ionic Complexes Crystal Growth & Design, 2003, 3, 547 |
| 4505720 | CIF | C19 H20 N O6 | P 1 21/c 1 | 4.7854; 14.251; 24.648 90; 95.48; 90 | 1673.2 | Bhogala, Balakrishna R.; Nangia, Ashwini Cocrystals of 1,3,5-Cyclohexanetricarboxylic Acid with 4,4‘-Bipyridine Homologues: Acid···Pyridine Hydrogen Bonding in Neutral and Ionic Complexes Crystal Growth & Design, 2003, 3, 547 |
| 4505721 | CIF | C26 H30 Fe0.5 N O3 | P 1 21/c 1 | 8.0056; 10.0879; 28.566 90.016; 91.989; 90.023 | 2305.6 | Lee, In Su; Shin, Dong Mok; Chung, Young Keun Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids Crystal Growth & Design, 2003, 3, 521 |
| 4505722 | CIF | C54 H64 Fe N2 O6 | P -1 | 10.6119; 16.01; 16.438 64.011; 76.227; 74.387 | 2394.3 | Lee, In Su; Shin, Dong Mok; Chung, Young Keun Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids Crystal Growth & Design, 2003, 3, 521 |
| 4505723 | CIF | C32 H26 Fe N2 O4 | P -1 | 10.512; 10.6129; 11.9898 99.491; 104.692; 92.19 | 1271.7 | Lee, In Su; Shin, Dong Mok; Chung, Young Keun Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids Crystal Growth & Design, 2003, 3, 521 |
| 4505724 | CIF | C32 H30 Fe N2 O6 | P -1 | 9.4041; 9.801; 16.376 91.8; 102.506; 106.834 | 1403.2 | Lee, In Su; Shin, Dong Mok; Chung, Young Keun Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids Crystal Growth & Design, 2003, 3, 521 |
| 4505725 | CIF | C34 H30 Fe N2 O4 | P -1 | 9.4294; 11.1365; 14.5979 71.618; 76.482; 82.086 | 1411.01 | Lee, In Su; Shin, Dong Mok; Chung, Young Keun Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids Crystal Growth & Design, 2003, 3, 521 |
| 4505726 | CIF | C68 H64 Fe2 N4 O10 | P 1 | 9.396; 10.246; 16.126 99.329; 101.505; 106.72 | 1416.6 | Lee, In Su; Shin, Dong Mok; Chung, Young Keun Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids Crystal Growth & Design, 2003, 3, 521 |
| 4505727 | CIF | C34 H30 Fe N2 O4 | P -1 | 10.238; 10.514; 14.621 76.225; 85.982; 63.954 | 1372.26 | Lee, In Su; Shin, Dong Mok; Chung, Young Keun Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids Crystal Growth & Design, 2003, 3, 521 |
| 4505728 | CIF | C98 H88 Fe3 N6 O16 | C 1 2/c 1 | 27.972; 19.622; 17.275 90; 112.206; 90 | 8778.4 | Lee, In Su; Shin, Dong Mok; Chung, Young Keun Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids Crystal Growth & Design, 2003, 3, 521 |
| 4505729 | CIF | C7 H5 N3 O6 | P 1 21/a 1 | 14.9113; 6.034; 20.8815 90; 110.365; 90 | 1761.37 | Vrcelj, Ranko M.; Sherwood, John N.; Kennedy, Alan R.; Gallagher, Hugh G.; Gelbrich, Thomas Polymorphism in 2-4-6 Trinitrotoluene Crystal Growth & Design, 2003, 3, 1027 |
| 4505730 | CIF | C7 H5 N3 O6 | P c a 21 | 14.91; 6.0341; 19.68 90; 90; 90 | 1770.6 | Vrcelj, Ranko M.; Sherwood, John N.; Kennedy, Alan R.; Gallagher, Hugh G.; Gelbrich, Thomas Polymorphism in 2-4-6 Trinitrotoluene Crystal Growth & Design, 2003, 3, 1027 |
| 4505731 | CIF | C51 H43 K4 N5 O15 Pd | C 1 2/c 1 | 26.021; 25.774; 8.346 90; 98.301; 90 | 5538.73 | Shmilovits, Michaela; Diskin-Posner, Yael; Vinodu, Mikki; Goldberg, Israel Crystal Engineering of “Porphyrin Sieves” Based on Coordination Polymers of Pd- and Pt-tetra(4-carboxyphenyl)porphyrin Crystal Growth & Design, 2003, 3, 855 |
| 4505732 | CIF | C53 H41 K4 N5 O14 Pt | C 1 2/c 1 | 26.161; 25.768; 8.332 90; 97.593; 90 | 5567.49 | Shmilovits, Michaela; Diskin-Posner, Yael; Vinodu, Mikki; Goldberg, Israel Crystal Engineering of “Porphyrin Sieves” Based on Coordination Polymers of Pd- and Pt-tetra(4-carboxyphenyl)porphyrin Crystal Growth & Design, 2003, 3, 855 |
| 4505733 | CIF | C65.5 H43.5 Cu1.5 N7.5 Na1.5 O9 Pd | P -1 | 12.874; 13.079; 16.471 86.193; 85.954; 80.815 | 2726.7 | Shmilovits, Michaela; Diskin-Posner, Yael; Vinodu, Mikki; Goldberg, Israel Crystal Engineering of “Porphyrin Sieves” Based on Coordination Polymers of Pd- and Pt-tetra(4-carboxyphenyl)porphyrin Crystal Growth & Design, 2003, 3, 855 |
| 4505734 | CIF | C65.5 H43.5 Cu1.5 N7.5 Na1.5 O9 Pt | P -1 | 12.924; 13.137; 16.6 85.575; 85.426; 80.098 | 2761.78 | Shmilovits, Michaela; Diskin-Posner, Yael; Vinodu, Mikki; Goldberg, Israel Crystal Engineering of “Porphyrin Sieves” Based on Coordination Polymers of Pd- and Pt-tetra(4-carboxyphenyl)porphyrin Crystal Growth & Design, 2003, 3, 855 |
| 4505735 | CIF | C48 H68 Cu2 N16 O12 Pt | C 1 2/m 1 | 16.194; 35.132; 6.693 90; 106.638; 90 | 3648.4 | Shmilovits, Michaela; Diskin-Posner, Yael; Vinodu, Mikki; Goldberg, Israel Crystal Engineering of “Porphyrin Sieves” Based on Coordination Polymers of Pd- and Pt-tetra(4-carboxyphenyl)porphyrin Crystal Growth & Design, 2003, 3, 855 |
| 4505736 | CIF | C12 H20 Cl2 N4 O2 S | P 1 21/n 1 | 6.9928; 20.6631; 11.7695 90; 98.699; 90 | 1681.05 | Te, Ruth L.; Griesser, Ulrich J.; Morris, Kenneth R.; Byrn, Stephen R.; Stowell, Joseph G. X-ray Diffraction and Solid-State NMR Investigation of the Single-Crystal to Single-Crystal Dehydration of Thiamine Hydrochloride Monohydrate Crystal Growth & Design, 2003, 3, 997 |
| 4505737 | CIF | C12 H18 Cl2 N4 O S | P 1 21/n 1 | 7.0994; 19.808; 11.6378 90; 101.529; 90 | 1603.5 | Te, Ruth L.; Griesser, Ulrich J.; Morris, Kenneth R.; Byrn, Stephen R.; Stowell, Joseph G. X-ray Diffraction and Solid-State NMR Investigation of the Single-Crystal to Single-Crystal Dehydration of Thiamine Hydrochloride Monohydrate Crystal Growth & Design, 2003, 3, 997 |
| 4505738 | CIF | C30 H38 N4 O7 S3 | C 1 2 1 | 16.526; 10.3837; 12.3259 90; 130.402; 90 | 1610.7 | Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A. Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid Crystal Growth & Design, 2003, 3, 811 |
| 4505739 | CIF | C21 H19 N3 O3 | P 1 21 1 | 11.042; 6.121; 13.549 90; 104.805; 90 | 885.3 | Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A. Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid Crystal Growth & Design, 2003, 3, 811 |
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