Crystallography Open Database
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Searching space group like 'P 21 3'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1546121 | CIF | C130 H160.5 N24 O15.25 | P 21 3 | 24.318; 24.318; 24.318 90; 90; 90 | 14381 | Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I. Chirality as a tool for function in porous organic cages. Nanoscale, 2017, 9, 6783-6790 |
| 1546271 | CIF | As4 H6 Na6 O19 Zn3 | P 21 3 | 12.243; 12.243; 12.243 90; 90; 90 | 1835.1 | Grey, Ian E.; Madsen, Ian C.; Jones, David J.; Smith, Peter W. The structure of Na6Zn3(AsO4)4.3H2O and its relationship to the garnet and other Ia3d-derived structures Journal of Solid State Chemistry, 1989, 82, 52-59 |
| 1546967 | CIF | C85 H121.45 Er K N2 O10 | P 21 3 | 19.7501; 19.7501; 19.7501 90; 90; 90 | 7703.9 | Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J. Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment Chem. Sci., 2017 |
| 1546968 | CIF | C85 H121.6 Dy K N2 O10.6 | P 21 3 | 19.773; 19.773; 19.773 90; 90; 90 | 7730.7 | Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J. Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment Chem. Sci., 2017 |
| 1546970 | CIF | C85 H121.35 Gd K N2 O10 | P 21 3 | 19.7291; 19.7291; 19.7291 90; 90; 90 | 7679.3 | Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J. Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment Chem. Sci., 2017 |
| 1546976 | CIF | C85 H121.37 Dy K N2 O10 | P 21 3 | 19.798; 19.798; 19.798 90; 90; 90 | 7760 | Fieser, Megan E.; Palumbo, Chad T.; La Pierre, Henry Storms; Halter, Dominik P.; Voora, Vamsee K.; Ziller, Joseph W.; Furche, Filipp; Meyer, Karsten; Evans, William J. Comparisons of Lanthanide / Actinide +2 Ions in a Tris(aryloxide)arene Coordination Environment Chem. Sci., 2017 |
| 1546996 | CIF | C8 H8 Cd2 N20 | P 21 3 | 18.6598; 18.6598; 18.6598 90; 90; 90 | 6497.1 | He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment Chem. Sci., 2017 |
| 1549077 | CIF | C21 H18 Cl N3 | P 21 3 | 13.484; 13.484; 13.484 90; 90; 90 | 2451.6 | Xu, Jiaxi; Liu, Jingjing; Li, Zhenjiang; Xu, Songquan; Wang, Haixin; Guo, Tianfo; Gao, Yu; Zhang, Lei; Zhang, Chan; Guo, Kai Opposite-charge repulsive cation and anion pair cooperative organocatalysis in ring-opening polymerization Polymer Chemistry, 2018, 9, 2183 |
| 1550126 | CIF | C36 H60 K6 N12 O68 Rh4 S12 Zn4 | P 21 3 | 23.5257; 23.5257; 23.5257 90; 90; 90 | 13020.5 | Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals Chemical Science, 2019 |
| 1550127 | CIF | C36 H60 N12 Na O79 Rh4 S12 Zn4 | P 21 3 | 23.574; 23.574; 23.574 90; 90; 90 | 13101 | Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals Chemical Science, 2019 |
| 1550128 | CIF | C36 H60 N12 O77.5 Rh4 S12 Zn4 | P 21 3 | 23.55; 23.55; 23.55 90; 90; 90 | 13061 | Yoshinari, Nobuto; Yamashita, Satoshi; Fukuda, Yosuke; Nakazawa, Yasuhiro; Konno, Takumi Mobility of hydrated alkali metal ions in metallosupramolecular ionic crystals Chemical Science, 2019 |
| 1552025 | CIF | C86 H123 K N2 O10 U | P 21 3 | 19.8738; 19.8738; 19.8738 90; 90; 90 | 7849.5 | Dominik P. Halter; Frank W. Heinemann; Laurent Maron; Karsten Meyer The role of uranium-arene bonding in H2O reduction catalysis Nature Chemistry, 2018, 10, 259-267 |
| 1554597 | CIF | C153 H132 Cd4 F69 N32 O3 S Sb7 | P 21 3 | 26.441; 26.441; 26.441 90; 90; 90 | 18486 | Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R. Waterproof architectures through subcomponent self-assembly. Chemical science, 2019, 10, 2006-2018 |
| 1559616 | CIF | Bi K3 S3 | P 21 3 | 9.44906; 9.44906; 9.44906 90; 90; 90 | 843.657 | McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G. Mechanistic insight of KBiQ<sub>2</sub> (Q = S, Se) using panoramic synthesis towards synthesis-by-design. Chemical science, 2020, 12, 1378-1391 |
| 1560110 | CIF | K2 Ni2 O12 S3 | P 21 3 | 9.843; 9.843; 9.843 90; 90; 90 | 953.636 | Speer, D. Phase transitions in langbeinites I: Crystal chemistry and structures of K-double sulfates of the langbeinite type M2(2+) K2 (S O4)3, M(2+) = Mg, Ni, Co, Zn, Ca Physics and Chemistry of Minerals, 1986, 17 |
| 1561064 | CIF | As7 Ba2 I | P 21 3 | 10.5584; 10.5584; 10.5584 90; 90; 90 | 1177.05 | Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters Journal of Solid State Chemistry, 2018, 263, 195-202 |
| 1561065 | CIF | As7 Ba1.77 I Sr0.23 | P 21 3 | 10.5195; 10.5195; 10.5195 90; 90; 90 | 1164.09 | Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters Journal of Solid State Chemistry, 2018, 263, 195-202 |
| 1561066 | CIF | Eu2 I P7 | P 21 3 | 9.8268; 9.8268; 9.8268 90; 90; 90 | 948.93 | Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters Journal of Solid State Chemistry, 2018, 263, 195-202 |
| 1561067 | CIF | Ba0.72 Br Eu1.28 P7 | P 21 3 | 9.8547; 9.8547; 9.8547 90; 90; 90 | 957.04 | Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters Journal of Solid State Chemistry, 2018, 263, 195-202 |
| 1561068 | CIF | Br Eu2 P7 | P 21 3 | 9.7013; 9.7013; 9.7013 90; 90; 90 | 913.04 | Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters Journal of Solid State Chemistry, 2018, 263, 195-202 |
| 1561069 | CIF | As7 I Sr2 | P 21 3 | 10.261; 10.261; 10.261 90; 90; 90 | 1080.4 | Dolyniuk, Juli-Anna; Lee, Shannon; Tran, Nhon; Wang, Jian; Wang, Lin-Lin; Kovnir, Kirill Eu2P7X and Ba2As7X (X = Br, I): Chiral double-Zintl salts containing heptapnictotricyclane clusters Journal of Solid State Chemistry, 2018, 263, 195-202 |
| 1561366 | CIF | B3 Ba2 Cs2 Li3 O24 P6 | P 21 3 | 12.853; 12.853; 12.853 90; 90; 90 | 2123.31 | Khan, Muhammad Ali; Li, Yan-Yan; Lin, Hua; Zhang, Li-Jun; Liu, Peng-Fei; Zhao, Hua-Jun; Duan, Rui-Huan; Wang, Jin-Qiu; Chen, Ling Syntheses of six and twelve membered borophosphate ring structure with nonlinear optical activity Journal of Solid State Chemistry, 2016, 243, 259-266 |
| 1561667 | CIF | Dy Hf K2 O12 P3 | P 21 3 | 10.2733; 10.2733; 10.2733 90; 90; 90 | 1084.25 | Zhang, Shi-Rui; Zhao, Dan; Fan, Yun-Chang; Ma, Zhao; Xue, Ya-Li; Li, Ya-Nan Color tunability and energy transfer studies of a new Eu3+ doped langbeinite-type phosphate phosphor for lighting applications Journal of Solid State Chemistry, 2019, 279, 120965 |
| 1565826 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.91895; 9.91895; 9.91895 90; 90; 90 | 975.882 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1565827 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.91895; 9.91895; 9.91895 90; 90; 90 | 975.882 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1565828 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.91977; 9.91977; 9.91977 90; 90; 90 | 976.124 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1565829 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.91977; 9.91977; 9.91977 90; 90; 90 | 976.124 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1565830 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.9045; 9.9045; 9.9045 90; 90; 90 | 971.623 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1565831 | CIF | K2 Mg2 O12 S3 | P 21 3 | 9.9045; 9.9045; 9.9045 90; 90; 90 | 971.623 | Gajda, Roman; Zhang, Dongzhou; Parafiniuk, Jan; Dera, Przemysław; Woźniak, Krzysztof Tracing electron density changes in langbeinite under pressure IUCrJ, 2022, 9, 146-162 |
| 1569795 | CIF | C30 H84 Ag5 Cl2 N6 O32 S6 Tb | P 21 3 | 20.285; 20.285; 20.285 90; 90; 90 | 8347 | He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence. Nanoscale, 2023, 15, 15730-15738 |
| 1569796 | CIF | C30 H90 Ag5 Cl2 Eu N6 O35 S6 | P 21 3 | 20.2017; 20.2017; 20.2017 90; 90; 90 | 8244.5 | He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence. Nanoscale, 2023, 15, 15730-15738 |
| 1569797 | CIF | C30 H90 Ag5 Cl2 Gd N6 O35 S6 | P 21 3 | 20.2194; 20.2194; 20.2194 90; 90; 90 | 8266.2 | He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence. Nanoscale, 2023, 15, 15730-15738 |
| 1569798 | CIF | C30 H82 Ag5 Cl2 N6 O31 S6 Tb | P 21 3 | 20.241; 20.241; 20.241 90; 90; 90 | 8292.7 | He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence. Nanoscale, 2023, 15, 15730-15738 |
| 1569799 | CIF | C30 H108 Ag5 Cl2 Eu N6 O44 S6 | P 21 3 | 20.2305; 20.2305; 20.2305 90; 90; 90 | 8279.8 | He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence. Nanoscale, 2023, 15, 15730-15738 |
| 1569800 | CIF | C30 H84 Ag5 Cl2 Gd N6 O32 S6 | P 21 3 | 20.354; 20.354; 20.354 90; 90; 90 | 8432 | He, Sheng-Rong; Xu, Han; Chen, Cheng; Wang, Xue-Tao; Lu, Tian-Qi; Cao, Lingyun; Zheng, Jun; Zheng, Xiu-Ying Chiral lanthanide-silver(I) cluster-based metal-organic frameworks exhibiting solvent stability, and tunable photoluminescence. Nanoscale, 2023, 15, 15730-15738 |
| 1570812 | CIF | C4 H12 Br5 F26 N | P 21 3 | 13.389; 13.389; 13.389 90; 90; 90 | 2400.2 | Möbs, Martin; Graubner, Tim; Karttunen, Antti J.; Kraus, Florian [Br<sub>4</sub>F<sub>21</sub>]<sup>-</sup> - a unique molecular tetrahedral interhalogen ion containing a μ<sub>4</sub>-bridging fluorine atom surrounded by BrF<sub>5</sub> molecules. Chemical science, 2024, 15, 3273-3278 |
| 1571750 | CIF | C192 H144 Cl F18 Fe2 N36 O4 P3 | P 21 3 | 26.5187; 26.5187; 26.5187 90; 90; 90 | 18649 | Risa, Arnau; Barrios, Leoní A; Diego, Rosa; Roubeau, Olivier; Aleshin, Dmitry Y.; Nelyubina, Yulia; Novikov, Valentin; Teat, Simon J.; Ribas-Ariño, Jordi; Aromí, Guillem Engineered π⋯π interactions favour supramolecular dimers X@[FeL<sub>3</sub>]<sub>2</sub> (X = Cl, Br, I): solid state and solution structure. Chemical science, 2024, 15, 9047-9053 |
| 1571751 | CIF | C192 H144 Br F18 Fe2 N36 O4 P3 | P 21 3 | 26.5373; 26.5373; 26.5373 90; 90; 90 | 18688.3 | Risa, Arnau; Barrios, Leoní A; Diego, Rosa; Roubeau, Olivier; Aleshin, Dmitry Y.; Nelyubina, Yulia; Novikov, Valentin; Teat, Simon J.; Ribas-Ariño, Jordi; Aromí, Guillem Engineered π⋯π interactions favour supramolecular dimers X@[FeL<sub>3</sub>]<sub>2</sub> (X = Cl, Br, I): solid state and solution structure. Chemical science, 2024, 15, 9047-9053 |
| 1571752 | CIF | C195 H152 F15.66 Fe2 I2.17 N36 O6 P2.61 | P 21 3 | 26.532; 26.532; 26.532 90; 90; 90 | 18677 | Risa, Arnau; Barrios, Leoní A; Diego, Rosa; Roubeau, Olivier; Aleshin, Dmitry Y.; Nelyubina, Yulia; Novikov, Valentin; Teat, Simon J.; Ribas-Ariño, Jordi; Aromí, Guillem Engineered π⋯π interactions favour supramolecular dimers X@[FeL<sub>3</sub>]<sub>2</sub> (X = Cl, Br, I): solid state and solution structure. Chemical science, 2024, 15, 9047-9053 |
| 1575256 | CIF | C120 H96 Cu8 F12 N8 P8 | P 21 3 | 23.0137; 23.0137; 23.0137 90; 90; 90 | 12188.8 | Lin, Yan-Yan; Luo, Jian; Dai, Bo-Wen; Yao, Jun-Fei; Xu, Liang-Jin; Lei, Zhen; Wei, Qiao-Hua Lantern-like Cu8 cluster for high-efficiency electrically driven light-emitting diodes. Dalton transactions (Cambridge, England : 2003), 2025, 54, 13483-13491 |
| 2000180 | CIF Paper | C18 H21 Cl3 N4 O12 | P 21 3 | 13.289; 13.289; 13.289 90; 90; 90 | 2346.8 | Britton, D.; Norman, R. E.; Que, Jnr, L. Tris[(2-pyridinium)methyl]amine perchlorate Acta Crystallographica Section C, 1991, 47, 2415-2417 |
| 2001033 | CIF Paper | C3 Fe N O4 Tl | P 21 3 | 8.853; 8.853; 8.853 90; 90; 90 | 693.86 | Clarkson, L. M.; Clegg, W.; Hockless, D. C. R.; Norman, N. C. Structure of a thallium(I) transition-metal carbonyl salt Tl[Fe(CO)~3~(NO)] Acta Crystallographica Section C, 1992, 48, 236-239 |
| 2002897 | CIF | Al1.45 Na1.45 O4 Si0.55 | P 21 3 | 14.553; 14.553; 14.553 90; 90; 90 | 3082 | Withers, Ray L.; Thompson, John G.; Melnitchenko, Alexandra; Palethorpe, Stephen R. Cristobalite-related phases in the NaAlO2-NaAlSiO4 system II. A commensurately modulated cubic structure Acta Crystallographica, Section B, 1998, 54, 547-557 |
| 2002948 | CIF | O8 W2 Zr | P 21 3 | 9.179989; 9.179989; 9.179989 90; 90; 90 | 773.6 | Evans, J. S. O.; David, W. I. F.; Sleight, A. W. Structural investigation of the negative-thermal-expansion material ZrW~2~O~8~ Acta Crystallographica, Section B, 1999, 55, 333-340 |
| 2003005 | CIF Paper | Ag7 P Se6 | P 21 3 | 10.772; 10.772; 10.772 90; 90; 90 | 1249.9 | Evain, M.; Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F. Structures and Phase Transitions of the <i>A</i>~7~PSe~6~ (<i>A</i> = Ag, Cu) Argyrodite-Type Ionic Conductors. I. Ag~7~PSe~6~ Acta Crystallographica Section B, 1998, 54, 376-383 |
| 2005698 | CIF | Be3 F12 K2 Mn2 | P 21 3 | 10.075; 10.075; 10.075 90; 90; 90 | 1022.7 | Guelylah A; Breczewski T; Madariaga G A New Langbeinite: Dipotassium Dimanganese Tetrafluoroberyllate Acta Crystallographica C, 1996, 52, 2951-2954 |
| 2005699 | CIF Paper | Cd2 O12 S3 Tl2 | P 21 3 | 10.421; 10.421; 10.421 90; 90; 90 | 1131.69 | Guelylah, A.; Madariaga, G.; Breczewski, T. Langbeinite-Type Cubic Dithallium Dicadmium Sulfate Acta Crystallographica Section C, 1996, 52, 2954-2956 |
| 2006647 | CIF Paper | H6 Na6 O19 P4 Zn3 | P 21 3 | 11.9931; 11.9931; 11.9931 90; 90; 90 | 1725.02 | Xianhui Bu; Thurman E. Gier; William T. A. Harrison; Galen D. Stucky A Cubic Hydrated Sodium Zinc Phosphate with a Tetrahedral-Triangular Framework Topology, Na~6~Zn~3~(PO~4~)~4~.3H~2~O Acta Crystallographica Section C, 1997, 53, 1517-1519 |
| 2007234 | CIF Paper | C14 H47 Bi1.6667 Na2 O25 | P 21 3 | 21.2245; 21.2245; 21.2245 90; 90; 90 | 9561.2 | Klüfers, Peter; Mayer, Peter Polyol‒Metal Complexes. 26. A Three-Dimensional Triply-Connected Alkoxo‒Metal Net in a Carbohydrate‒Bismuth(III) Complex Acta Crystallographica Section C, 1998, 54, 583-586 |
| 2008724 | CIF Paper | C36 H24 N6 Na O12 Ru2 | P 21 3 | 15.556; 15.556; 15.556 90; 90; 90 | 3764.4 | Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W. Three anionic polymeric networks: sodium(I)–ruthenium(III), sodium(I)–rhodium(III) and sodium(I)–aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations Acta Crystallographica Section C, 1999, 55, 1075-1079 |
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