Crystallography Open Database
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Searching space group like 'P b c n'
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|---|---|---|---|---|---|---|
| 7241311 | CIF | C40 H29 N4 O7 Re2 | P b c n | 20.7375; 13.4812; 25.4131 90; 90; 90 | 7104.6 | Kia, Reza; Taghavi, Tahereh; Raithby, Paul R. Supramolecular Assembly Through Intermolecular n →π* Interactions through a Coordinated Perrhenate Formed via Superoxidation of Re(I) to Re(VII) in the Formation of Substituted Re(CO)3 Complexes Bearing Diimine Ligands CrystEngComm, 2020 |
| 7241671 | CIF | C16 H16 N5 | P b c n | 16.876; 8.689; 19.621 90; 90; 90 | 2877.14 | Ciou, Ji-Ming; Zhu, Hong-Feng; Chang, Chia-Wen; Chen, Jing-Yun; Lin, Ya-Fan Physical organic studies and dynamic covalent chemistry of picolyl heterocyclic amino aminals RSC Advances, 2020, 10, 40421-40427 |
| 7241894 | CIF | C13 H22 N2 O5 | P b c n | 10.9462; 13.6297; 19.4386 90; 90; 90 | 2900.1 | Li, Zihan; Xu, Mengjie; Liu, Haodong; Wen, Qingshi; Fu, Jinqiu; Zhuang, Wei; Yang, Pengpeng; Wu, Jinglan; Ying, Hanjie Monohydrate and anhydrate of nylon 5I monomer 1,5-pentanediamine–isophthalate RSC Advances, 2020, 10, 44774-44784 |
| 7241927 | CIF | C62 H48 Cu N4 O11 S2 | P b c n | 12.4189; 20.0829; 28.0298 90; 90; 90 | 6990.8 | Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J. Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies CrystEngComm, 2021, 23, 684-693 |
| 7241928 | CIF | C5 H12 | P b c n | 3.7996; 8.2477; 14.205 90; 90; 90 | 445.16 | Liu, X.; Pulham, C. R. Pressure-induced phase separation of miscible liquids: 1 : 1 n-pentane/iso-pentane CrystEngComm, 2020, 22, 8251-8255 |
| 7242117 | CIF | C22 H20 N4 Ni O5 | P b c n | 15.3304; 17.4349; 15.9678 90; 90; 90 | 4267.9 | Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers CrystEngComm, 2021, 23, 1616-1627 |
| 7242137 | CIF | C6 H12 N10 O7 | P b c n | 13.067; 14.398; 6.5342 90; 90; 90 | 1229.3 | Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering CrystEngComm, 2021, 23, 1544-1549 |
| 7242199 | CIF | C14 H16 N6 O4 | P b c n | 35.3301; 10.8822; 7.5873 90; 90; 90 | 2917.08 | Li, Fengcai; Xu, Hao; Xu, Xinwei; Cang, Hui; Xu, Jiaying; Chen, Song Supramolecular salts assembled by melamine and two organic hydroxyl acids: synthesis, structure, hydrogen bonds, and luminescent property CrystEngComm, 2021, 23, 2235-2248 |
| 7242826 | CIF | C22 H114 Cl7 Cr2 Dy5 O90 | P b c n | 19.3983; 23.5501; 18.7638 90; 90; 90 | 8571.9 | Yin, Jia-Jia; Lu, Tian-Qi; Chen, Cheng; Shi, Hai-Yan; Zhuang, Gui-Lin; Zheng, Jun; Fang, Xiaolong; Zheng, Xiu-Ying A new family of decanuclear Ln7Cr3 clusters exhibiting a magnetocaloric effect RSC Advances, 2021, 11, 17346-17351 |
| 7242827 | CIF | C22 H138 Cl7 Cr2 Gd5 O102 | P b c n | 19.483; 23.488; 18.895 90; 90; 90 | 8646.67 | Yin, Jia-Jia; Lu, Tian-Qi; Chen, Cheng; Shi, Hai-Yan; Zhuang, Gui-Lin; Zheng, Jun; Fang, Xiaolong; Zheng, Xiu-Ying A new family of decanuclear Ln7Cr3 clusters exhibiting a magnetocaloric effect RSC Advances, 2021, 11, 17346-17351 |
| 7242832 | CIF | C24 H16 F3 I3 N2 | P b c n | 5.511; 18.5899; 23.7423 90; 90; 90 | 2432.4 | Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes CrystEngComm, 2021, 23, 4247-4251 |
| 7242898 | CIF | C20 H16 O6 | P b c n | 14.6312; 12.0469; 18.6651 90; 90; 90 | 3289.9 | Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin CrystEngComm, 2021, 23, 5780-5787 |
| 7242954 | CIF | C22.67 H21.33 O4 | P b c n | 21.1712; 15.3453; 11.4218 90; 90; 90 | 3710.7 | Barton, Benita; Senekal, Ulrich; Hosten, Eric C. Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests CrystEngComm, 2021, 23, 4560-4572 |
| 7243031 | CIF | C11 H10 Cl Cu N2 S2 | P b c n | 3.8383; 22.1816; 14.0252 90; 90; 90 | 1194.1 | Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M. Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane CrystEngComm, 2021, 23, 4658-4666 |
| 7243035 | CIF | C23 H21 N | P b c n | 11.1052; 16.1802; 9.2208 90; 90; 90 | 1656.8 | Jamshaid, Sana; Mohandoss, Sonaimuthu; Lee, Yong Rok Indium(iii)-catalyzed solvent-free multicomponent [2 + 2 + 1 + 1]-annulation to polycyclic functionalized fused pyridines as potential optical chemosensors Green Chemistry, 2021, 23, 5113-5119 |
| 7243161 | CIF | C8 H2 N18 O8 | P b c n | 17.283; 7.552; 13.411 90; 90; 90 | 1750.4 | Gulyaev, Dmitry A.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Fedyanin, Ivan V.; Lempert, David B.; Kosareva, Ekaterina K.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Tartakovsky, Vladimir A. [(3-Nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans: energetic materials containing an N(O)N‒N fragment RSC Advances, 2021, 11, 24013-24021 |
| 7243480 | CIF | C30 H22 I6 N6 Pb3 | P b c n | 22.4598; 12.1864; 14.4057 90; 90; 90 | 3942.9 | Yuan, Yaxuan; Xian, Yeming; Long, Yi; Zhang, Yangyi; Rahman, Naveed Ur; Zhang, Yongli; Fan, Jiandong; Li, Wenzhe Terpyridine-derived perovskite single crystals with tunable structures and electronic dimensionality RSC Advances, 2021, 11, 24816-24821 |
| 7243619 | CIF | C23 H21 N | P b c n | 11.0913; 16.1163; 9.1839 90; 90; 90 | 1641.6 | Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations Green Chemistry, 2021, 23, 7950-7955 |
| 7243652 | CIF | Fe2.667 O8 W1.333 | P b c n | 4.57964; 5.58662; 4.9692 90; 90; 90 | 127.136 | Quarez, Éric; Espinosa-Angeles, Julio César; Crosnier, Olivier; Joubert, Olivier; Brousse, Thierry Revisiting the five-decade-old structure of the Fe2WO6 powder with incommensurate modulations CrystEngComm, 2021, 23, 7298-7304 |
| 7243744 | CIF | C15 H14 Fe O7 | P b c n | 11.3484; 7.4781; 36.737 90; 90; 90 | 3117.67 | Krause, Bernhard Markus; Bauer, Britta; Neudoerfl, Joerg; Wieder, Thomas; Schmalz, Hans Günther ItaCORMs: Conjugation with a CO-releasing Unit greatly Enhances the Anti-inflammatory Activity of Itaconates RSC Medicinal Chemistry, 2021 |
| 7244051 | CIF | C6 H4 Cl N O3 Pb | P b c n | 13.0104; 7.1278; 17.3503 90; 90; 90 | 1608.99 | Aboutorabi, Leila; Morsali, Ali Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale CrystEngComm, 2022, 24, 1049-1055 |
| 7244052 | CIF | C6 H4 I N O3 Pb | P b c n | 13.7536; 6.8778; 17.8671 90; 90; 90 | 1690.13 | Aboutorabi, Leila; Morsali, Ali Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale CrystEngComm, 2022, 24, 1049-1055 |
| 7244053 | CIF | C6 H4 Br N O3 Pb | P b c n | 13.2594; 7.0293; 17.5526 90; 90; 90 | 1635.98 | Aboutorabi, Leila; Morsali, Ali Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale CrystEngComm, 2022, 24, 1049-1055 |
| 7244096 | CIF | C130 H194 N14 O48 S8 Zn6 | P b c n | 31.887; 23.216; 23.261 90; 90; 90 | 17220 | Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study CrystEngComm, 2022, 24, 628-638 |
| 7244190 | CIF | C6 H14 Cl6 N2 Sn2 | P b c n | 19.2189; 13.7924; 11.7827 90; 90; 90 | 3123.3 | Jung, Mi-Hee The dual band and white-light emission from piperazine halide perovskites CrystEngComm, 2022, 24, 1413-1423 |
| 7244376 | CIF | C48 H34 O4 S4 | P b c n | 14.0945; 12.8981; 20.6753 90; 90; 90 | 3758.61 | zigon, nicolas; Avarvari, Narcis [4]Helicene based anions in electrocrystallization with tetrachalcogenafulvalene donors CrystEngComm, 2022 |
| 7244771 | CIF | C50 H28 Cd N6 O18 S2 U2 | P b c n | 16.3215; 17.453; 18.0785 90; 90; 90 | 5149.8 | He, Pei-Pei; Xu, Qiao-Yan; Li, Shao-Heng; Wei, Su-Mu; Li, Hao-Hong Luminescent Uranium-Thiophene Dicarboxylate Frameworks Supported by Transition-Metal-Organic Cations: Dimensionality and Luminescence Control in Uranyl Speciation CrystEngComm, 2022 |
| 7244774 | CIF | C12.5 H12 Cd N6 O7.5 | P b c n | 13.4405; 16.5001; 14.9111 90; 90; 90 | 3306.83 | Mitoraj, Mariusz Paweł; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Khandar, AliAkbar; White, Jonathan; Maniukiewicz, Waldemar; Babashkina, Maria G.; Sagan, Filip; Safin, Damir Coordination polymers fabricated from Cd(NO3)2 and N,N',O-pincer type isonicotinoylhydrazone based polytopyc ligands – an insight from experimental and theoretical investigations CrystEngComm, 2022 |
| 7244792 | CIF | C11 H18 O | P b c n | 18.7366; 9.0758; 21.2147 90; 90; 90 | 3607.55 | Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds CrystEngComm, 2022 |
| 7244794 | CIF | C11 H18 O | P b c n | 18.9657; 9.2178; 21.3293 90; 90; 90 | 3728.83 | Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds CrystEngComm, 2022 |
| 7244795 | CIF | C11 H18 O | P b c n | 18.9092; 9.1761; 21.2981 90; 90; 90 | 3695.49 | Salvatori, Alejandro; Négrier, Philippe; Massip, Stephane; Munoz-Duque, Antoni; Lloveras, Pol; Barrio, Maria; Tamarit, Josep Lluis Polymorphism and Solid-Solid Phase Transitions of Hydrogen Bonded 2-adamantanol and 2-methyl-2-adamantanol Compounds CrystEngComm, 2022 |
| 7245142 | CIF | C80 H78 Mo12 N4 Nd O47 P5 | P b c n | 21.4967; 17.7167; 27.0552 90; 90; 90 | 10304 | Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes CrystEngComm, 2022 |
| 7245143 | CIF | C80 H90 Dy Mo12 O51 P5 | P b c n | 21.507; 17.6612; 27.356 90; 90; 90 | 10390.9 | Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes CrystEngComm, 2022 |
| 7245144 | CIF | C8.89 H9.89 Er0.11 Mo1.33 O5.67 P0.56 | P b c n | 21.49; 17.646; 27.381 90; 90; 90 | 10383 | Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes CrystEngComm, 2022 |
| 7245145 | CIF | C80 H90 Ho Mo12 O51 P5 | P b c n | 21.5225; 17.6625; 27.352 90; 90; 90 | 10397.6 | Jin, Guan-Yu; Zhang, Lan; Hu, Fu-Zhen; Hu, Cong; Lu, Yan-Lei; Li, Ying-Yu; Han, Hong-Liang; Liu, Jian-Ming; Yang, Yu-Ping; Jin, Qiong-Hua; Li, Xing-Ru Photocatalysis, terahertz time domain spectroscopy and weak interactions of six polyoxometalate-based lanthanide phosphine oxide complexes CrystEngComm, 2022 |
| 7245168 | CIF | C19 H16 B F2 I3 N2 | P b c n | 10.7772; 13.5103; 15.027 90; 90; 90 | 2188 | Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks CrystEngComm, 2022 |
| 7245534 | CIF | C45 H18 Cl F24 I4 N3 | P b c n | 15.6729; 20.0722; 32.1725 90; 90; 90 | 10121.1 | Stoesser, Julian; Engelage, Elric; Huber, Stefan Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides CrystEngComm, 2022 |
| 7245536 | CIF | C45 H18 F24 I5 N3 | P b c n | 20.5688; 7.552; 65.85 90; 90; 90 | 10229 | Stoesser, Julian; Engelage, Elric; Huber, Stefan Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides CrystEngComm, 2022 |
| 7246007 | CIF | C42 H42 Cd4 N6 O12 S2 | P b c n | 20.758; 11.022; 21.396 90; 90; 90 | 4895 | Majumdar, Dhrubajyoti; Roy, Sourav; Frontera, Antonio The importance of tetrel bonding interactions with carbon in two arrestive iso-structural Cd(ii)–Salen coordination complexes: a comprehensive DFT overview in crystal engineering RSC Advances, 2022, 12, 35860-35872 |
| 7246008 | CIF | C44 H46 Cd4 N6 O12 S2 | P b c n | 20.758; 11.022; 21.396 90; 90; 90 | 4895 | Majumdar, Dhrubajyoti; Roy, Sourav; Frontera, Antonio The importance of tetrel bonding interactions with carbon in two arrestive iso-structural Cd(ii)–Salen coordination complexes: a comprehensive DFT overview in crystal engineering RSC Advances, 2022, 12, 35860-35872 |
| 7246364 | CIF | C22.5 H20.5 N0.5 O4 | P b c n | 21.0161; 15.2805; 11.3726 90; 90; 90 | 3652.2 | Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C. Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines CrystEngComm, 2023, 25, 1740-1754 |
| 7246365 | CIF | C22 H20.333 N0.333 O4 | P b c n | 21.2925; 15.5355; 11.4506 90; 90; 90 | 3787.7 | Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C. Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines CrystEngComm, 2023, 25, 1740-1754 |
| 7246367 | CIF | C46 H43 N O8 | P b c n | 21.396; 15.5788; 11.3832 90; 90; 90 | 3794.3 | Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C. Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines CrystEngComm, 2023, 25, 1740-1754 |
| 7246763 | CIF | C70 H110 Co2 Mn4 N4 O22 | P b c n | 14.1256; 23.1528; 28.0634 90; 90; 90 | 9178.1 | Yang, ZhiWei; Du, LongChao Novel Mn4-Co2 nanocluster@photosensitizers/SalenCo(iii) catalyze the copolymerization of carbon dioxide and propylene oxide RSC Advances, 2023, 13, 13930-13939 |
| 7246968 | CIF | C11 H17 B F4 Mo O2 S2 | P b c n | 13.2549; 14.9295; 16.5899 90; 90; 90 | 3283 | Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function RSC Advances, 2023, 13, 19746-19756 |
| 7246972 | CIF | C18 H19 B F4 O2 S W | P b c n | 20.4942; 12.2026; 15.1267 90; 90; 90 | 3782.9 | Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function RSC Advances, 2023, 13, 19746-19756 |
| 7247100 | CIF | C14 H11 N O5 S | P b c n | 23.24; 13.0799; 13.2996 90; 90; 90 | 4042.8 | Christoff, Rebecca M.; Al Bayer, Mohammad; Soares da Costa, Tatiana P.; Perugini, Matthew A.; Abbott, Belinda M. Enhancing allosteric inhibition of dihydrodipicolinate synthase through the design and synthesis of novel dimeric compounds RSC Medicinal Chemistry, 2023 |
| 7247440 | CIF | C33 H25 Fe N O2 | P b c n | 16.5928; 7.2752; 39.3538 90; 90; 90 | 4750.6 | Angela, Varghese Maria; Harshini, Deivendran; Imran, Predhanekar Mohamed; Bhuvanesh, Nattamai. S. P.; Nagarajan, Samuthira Efficient ternary WORM memory devices from quinoline-based D–A systems by varying the redox behavior of ferrocene RSC Advances, 2023, 13, 28416-28425 |
| 7247483 | CIF | C26 H42 Cl Co N10 O8 | P b c n | 12.8143; 17.6436; 14.6798 90; 90; 90 | 3319 | Bera, Susovan; Bhunia, Sudip; Gomila, Rosa M.; Drew, Michael G. B.; Frontera, Antonio; Chattopadhyay, Shouvik Structure-directing role of CH⋯X (X = C, N, S, Cl) interactions in three ionic cobalt complexes: X-ray investigation and DFT study using QTAIM Vr predictor to eliminate the effect of pure Coulombic forces RSC Advances, 2023, 13, 29568-29583 |
| 7247529 | CIF | C20 H20 O6 S | P b c n | 13.8459; 10.3707; 26.6399 90; 90; 90 | 3825.27 | Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes Green Chemistry, 2023, 25, 9086-9091 |
| 7248760 | CIF | C28 H25 Cl F2 N6 O4 | P b c n | 22.17; 7.54141; 34.4865 90; 90; 90 | 5765.9 | Patel, Upendra Kumar; Tiwari, Punit; Tilak, Ragini; Joshi, Gaurav; Kumar, Roshan; Agarwal, Alka Synthesis of ciprofloxacin-linked 1,2,3-triazole conjugates as potent antibacterial agents using click chemistry: exploring their function as DNA gyrase inhibitors via in silico- and in vitro-based studies RSC Advances, 2024, 14, 17051-17070 |
| 7249005 | CIF | C6 H5 Cl3 Hg N4 | P b c n | 13.1765; 10.5309; 14.9341 90; 90; 90 | 2072.26 | Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines CrystEngComm, 2024, 26, 4418-4430 |
| 7249024 | CIF | C14 H6 F4 I2 N2 O | P b c n | 17.9765; 12.865; 13.6805 90; 90; 90 | 3163.9 | Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes CrystEngComm, 2024, 26, 4137-4145 |
| 7249121 | CIF | C110 H84 N18 O26 Zn4 | P b c n | 30.4034; 19.7177; 39.988 90; 90; 90 | 23972 | Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Pour, Ali Nakhaei Porosity control in pillar-layered MOF architectures: hydrogen bonding in amino-functionalized 2-D layers CrystEngComm, 2024, 26, 4708-4719 |
| 7249273 | CIF | C7 H8 N2 O3 S | P b c n | 22.162; 7.1809; 10.8505 90; 90; 90 | 1726.8 | Pate, Sophie; Taujanskas, Joshua; Wells, Robyn; Robertson, Craig M.; O'Neill, Paul M.; Stachulski, Andrew V. Convenient syntheses of 2-acylamino-4-halothiazoles and acylated derivatives using a versatile Boc-intermediate RSC Advances, 2024, 14, 27894-27903 |
| 7249294 | CIF | C32 H24 N5 Nd O7 | P b c n | 17.2168; 13.7528; 31.2747 90; 90; 90 | 7405.2 | Wang, Shengyu; Macreadie, Lauren K.; Hanton, Lyall R. Pillared lanthanide metal organic frameworks with sinusoidal channels formed from bent mixed-donor phenanthroline based ligands of different length CrystEngComm, 2024, 26, 5541-5549 |
| 7249295 | CIF | C28 H14 Gd N4 O6 | P b c n | 16.9927; 13.7367; 31.1677 90; 90; 90 | 7275.28 | Wang, Shengyu; Macreadie, Lauren K.; Hanton, Lyall R. Pillared lanthanide metal organic frameworks with sinusoidal channels formed from bent mixed-donor phenanthroline based ligands of different length CrystEngComm, 2024, 26, 5541-5549 |
| 7249535 | CIF | C5 H4 Cs N5 | P b c n | 12.7149; 11.1762; 10.8144 90; 90; 90 | 1536.77 | Kaur, Sarabjeet; Harvey, Jeremy; Van Meervelt, Luc; Kirschhock, Christine E. A. Crystal structures of potassium and cesium salts of adenine: the role of alkali cations CrystEngComm, 2024, 26, 6805-6812 |
| 7249694 | CIF | C29 H23 N O3 S | P b c n | 32.4449; 8.4715; 17.0615 90; 90; 90 | 4689.5 | Mutra, Mohana Reddy; Chandana, T. L.; Wang, Jeh-Jeng Atom-economical and workup-free multiparticipation of p-TsOH in yne-ynamide skeletal reshuffle: access to regiospecific, chemospecific, and stereospecific (E)-alkenyl sulfonate/ketone-tethered indoles Green Chemistry, 2025, 27, 1062-1072 |
| 7249981 | CIF | C16 H40 Al Mo6 N16 O38 Zn2 | P b c n | 19.3291; 18.9664; 15.4974 90; 90; 90 | 5681.4 | Zu, Zhi-fei; Liang, Ju-ju; Chang, Zhi-han; Lin, Yu-chun; Wang, Xiu-li Triazole-derivatized ligand-directed diverse structures and polyaniline-assisted capacitive performances of two new Anderson-type [AlMo6(OH)6O18]3−-based metal–organic complexes CrystEngComm, 2025, 27, 1904-1909 |
| 7249996 | CIF | C23 H17 Au2 N11 O3 Zn | P b c n | 27.7951; 19.271; 7.8649 90; 90; 90 | 4212.8 | Giordana, Alessia; Priola, Emanuele; Mahmoudi, Ghodrat; Doustkhah, Esmail; Gomila, Rosa Maria; Zangrando, Ennio; Diana, Eliano; Operti, Lorenza; Frontera, Antonio Exploring Coinage Bonding Interactions in [Au(CN)₄]⁻ Assemblies with Silver and Zinc Complexes: A Structural and Theoretical Study Physical Chemistry Chemical Physics, 2024 |
| 7250110 | CIF | C9 H11 Cu I N S2 | P b c n | 19.1222; 8.7885; 14.5433 90; 90; 90 | 2444.1 | Mishra, Anrudh; Pandey, Dilip; Maurya, Sarvesh Kumar; Raghuvanshi, Abhinav Sunlight-driven photocatalytic degradation of organic dyes using Cu(i) coordination polymers: an efficient and recyclable solution for wastewater remediation CrystEngComm, 2025, 27, 2462-2469 |
| 7250111 | CIF | C9 H11 Br Cu N S2 | P b c n | 18.7689; 8.6676; 14.2353 90; 90; 90 | 2315.82 | Mishra, Anrudh; Pandey, Dilip; Maurya, Sarvesh Kumar; Raghuvanshi, Abhinav Sunlight-driven photocatalytic degradation of organic dyes using Cu(i) coordination polymers: an efficient and recyclable solution for wastewater remediation CrystEngComm, 2025, 27, 2462-2469 |
| 7250165 | CIF | C6 H14 Br3 Cs N2 | P b c n | 9.8044; 9.8273; 27.3662 90; 90; 90 | 2636.75 | van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites CrystEngComm, 2025, 27, 2545-2558 |
| 7250179 | CIF | C84 H200 Ag40 Nb6 O19 S32 | P b c n | 25.471; 26.107; 26.205 90; 90; 90 | 17426 | Zeng, Li; Lin, Ya-Ting; Hong, Li-Hao; Sun, Yan-Qiong; Xie, Jianping; Zheng, Shou-Tian; Li, Xin-Xiong A new silver–thiolate nanocluster synthesized utilizing pure-inorganic polyoxoniobate as a starting template and its variable-temperature fluorescence properties CrystEngComm, 2025, 27, 2883-2887 |
| 7250245 | CIF | C40 H34 N4 O2 | P b c n | 18.426; 14.516; 24.976 90; 90; 90 | 6680 | Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives CrystEngComm, 2025, 27, 3247-3256 |
| 7250364 | CIF | C13 H19 N4 O2 | P b c n | 11.4485; 16.5913; 14.7557 90; 90; 90 | 2802.8 | Letyagin, Gleb; Chernavin, Platon A.; Maryunina, Kseniya; Tolstikov, Svyatoslav E.; Tretyakov, Evgeny V.; Romanenko, Galina; Bogomyakov, Artem Specific features of the spin density distribution and magnetic properties in a series of pyrazolyl-substituted nitronyl nitroxides: a magnetochemical and quantum chemical study Physical Chemistry Chemical Physics, 2025 |
| 7250509 | CIF | C20 H15 N O2 | P b c n | 17.2049; 8.2984; 21.2414 90; 90; 90 | 3032.7 | Enamullah, Mohammed; Haque, Imdadul; Resma, Amina Khan; Abdullah, Galib; Uddin, Md. Najem; Haj Hassani Sohi, Takin; Woschko, Dennis; Ferber, Peter; Janiak, Christoph Square planar vs. pyramidal copper(ii)-complexes with benzylal vs. naphthylal-based Schiff bases RSC Advances, 2025, 15, 18358-18371 |
| 7250550 | CIF | C44.5 H38.25 Co2 I4 N6 O9 | P b c n | 22.7381; 22.6517; 19.7113 90; 90; 90 | 10152.4 | Zaguzin, Alexander S.; Zaitsev, Artem V.; Abramov, Pavel A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A. Strong halogen bonds with guest molecules in a Co(ii) 2,5-diiodoterephthalate metal–organic framework CrystEngComm, 2025, 27, 4863-4867 |
| 7250791 | CIF | C63 H94 Mg N4 O2 | P b c n | 12.4474; 20.5344; 22.8703 90; 90; 90 | 5845.6 | Quek, Timothy; Saeteaw, Thonthun; Pongpanit, Tanyawan; Namuangruk, Supawadee; Phomphrai, Khamphee Homoleptic Magnesium and Calcium Complexes Supported by Constrained Reduced Schiff Base Ligand for Lactide Polymerisation: DFT Analysis of Lactide/Ligand Interactions Physical Chemistry Chemical Physics, 2025 |
| 7250792 | CIF | C63 H94 Ca N4 O2 | P b c n | 12.984; 20.151; 22.641 90; 90; 90 | 5923.8 | Quek, Timothy; Saeteaw, Thonthun; Pongpanit, Tanyawan; Namuangruk, Supawadee; Phomphrai, Khamphee Homoleptic Magnesium and Calcium Complexes Supported by Constrained Reduced Schiff Base Ligand for Lactide Polymerisation: DFT Analysis of Lactide/Ligand Interactions Physical Chemistry Chemical Physics, 2025 |
| 7250967 | CIF | C14 H18 Ag N3 O3 | P b c n | 9.8316; 14.5509; 10.4516 90; 90; 90 | 1495.2 | La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A. Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies CrystEngComm, 2025, 27, 7333-7347 |
| 7251014 | CIF | C33 H20 F9 N4 O7 S3 Yb | P b c n | 33.7474; 10.9749; 20.4309 90; 90; 90 | 7567.1 | Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets. CrystEngComm, 2025, 27, 7677-7688 |
| 7251240 | CIF | C24 H20 B2 Cl2 F8 N2 | P b c n | 35.6136; 7.6852; 9.4614 90; 90; 90 | 2589.56 | Parashar, Ranjeev Kumar; Kandpal, Suchita; Kamal, Aditya; Bansal, Love; Gupta, Kirti; Kumar, Rajesh; Mondal, Prakash Chandra Exploring the Roles of Counterions in Redox-active Viologen on Electrochromic Performance Physical Chemistry Chemical Physics, 2025 |
| 7251266 | CIF | C14 H15 I N2 O4 | P b c n | 19.6028; 6.5055; 25.387 90; 90; 90 | 3237.5 | Yu, Cong; Wang, Liwei; Bu, Xiaotong; Liao, Hui; Gao, Meng Direct Electrocatalytic O-O Coupling for Modular Synthesis of Aza-cyclic Peroxides from Paired Oxygen Donors Green Chemistry, 2025 |
| 7251268 | CIF | C5 H12 Cl2 La N O7 | P b c n | 9.45; 15.87; 16.42 90; 90; 90 | 2463 | Celik, Ecem; LeMagueres, Pierre; Reinheimer, Eric W.; Carter, Korey Prescott; Forbes, Tori Mechanochemical Synthesis and Micro-Electron Diffraction Analysis of Rare Earth-Aminopolycarboxylate Coordination Compounds CrystEngComm, 2025 |
| 7251342 | CIF | C13 H12 Mo N2 O5 S | P b c n | 14.8458; 7.2875; 26.5865 90; 90; 90 | 2876.36 | Pavić, Luka; Miočić, Filip; Razum, Marta; Sarjanović, Josipa; Pisk, Jana From structure to function: tunable electrical and catalytic properties in rare Mo(vi)-thiophene-2-carboxylic acid hydrazone complexes obtained mechanochemically RSC Advances, 2025, 15, 46194-46206 |
| 7251386 | CIF | C16 H14 N4 O4 | P b c n | 12.68; 11.488; 20.223 90; 90; 90 | 2946 | Junior, Ronaldo Gonçalves de Freitas; Duarte, Vitor; Almeida, Leonardo R.; Santana Wenceslau, Patricia Rafaella; Aquino, Gilberto Benedito; Valverde, Clodoaldo; Napolitano, Hamilton Comprehensive Structural Insights into Nitro-Substituted Azines as Potential Antioxidant Additives for Biodiesel CrystEngComm, 2025 |
| 7700107 | CIF | C18 H28 Mn N10 | P b c n | 15.6154; 17.1417; 14.9699 90; 90; 90 | 4007.1 | Mączka, Mirosław; Collings, Ines E.; Leite, Fabio Furtado; Paraguassu, Waldeci Raman and single-crystal X-ray diffraction evidence of pressure-induced phase transitions in a perovskite-like framework of [(C<sub>3</sub>H<sub>7</sub>)<sub>4</sub>N] [Mn(N(CN)<sub>2</sub>)<sub>3</sub>]. Dalton transactions (Cambridge, England : 2003), 2019, 48, 9072-9078 |
| 7700178 | CIF | C21 H28 F6 N6 P2 Ru | P b c n | 17.629; 18.438; 15.309 90; 90; 90 | 4976.1 | Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes. Dalton transactions (Cambridge, England : 2003), 2019, 48, 15397-15407 |
| 7700300 | CIF | C51 H22 Ag2 Au4 B2 Cl8 F20 N8 O | P b c n | 26.9355; 13.2083; 18.8465 90; 90; 90 | 6705.1 | Conejo-Rodríguez, Verónica; Peñas-Defrutos, Marconi N; Espinet, Pablo 4-Pyridylisocyanide gold(i) and gold(i)-plus-silver(i) luminescent and mechanochromic materials: the silver role. Dalton transactions (Cambridge, England : 2003), 2019, 48, 10412-10416 |
| 7701105 | CIF | C12.5 H14 Cl N3 O | P b c n | 7.9951; 14.758; 21.725 90; 90; 90 | 2563.4 | Wozniak, Derek I.; Hicks, Andrew J.; Sabbers, William A.; Dobereiner, Graham E. Imidazolyl-phenyl (IMP) anions: a modular structure for tuning solubility and coordinating ability. Dalton transactions (Cambridge, England : 2003), 2019, 48, 14138-14155 |
| 7701361 | CIF | Li Mo O6 P | P b c n | 12.1141; 8.9251; 8.7389 90; 90; 90 | 944.85 | Liu, Haonan; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wu, Yicheng Syntheses, Structures, Anomalous Phase Transition and Optical Properties of Two New Polymorphic α- and β-LiMoPO6 Dalton Transactions, 2019 |
| 7701494 | CIF | C24 H60 Br18 In4 N6 | P b c n | 21.2507; 19.9219; 14.9429 90; 90; 90 | 6326.1 | Xin, Wen-Bo; Xu, Guan-Cheng; Li, Min Synthesis and Characterization of a New Organic-inorganic Hybrid Ferroelectric: (C4H10N)6[InBr6][InBr4]3•H2O Dalton Transactions, 2019 |
| 7701770 | CIF | C38 H72 B10 Ni2 O4 P4 S2 | P b c n | 18.7762; 15.5899; 17.68 90; 90; 90 | 5175.3 | Cao, Bula; Ding, Yazhou; Fang, Fei; Chang, Jiarui; Zhang, Jie; Li, Shujun; Chen, Xuenian The stability of group 10 metal POCOP pincer complexes: decomposition/reconstruction pathways of the pincer backbone. Dalton transactions (Cambridge, England : 2003), 2019, 48, 13760-13768 |
| 7701848 | CIF | C32 H34 N4 O2 Pd S2 | P b c n | 43.067; 9.3233; 15.204 90; 90; 90 | 6105 | Nkabyo, Henry A.; Procacci, Barbara; Duckett, Simon B.; Koch, Klaus R. Reversible Photo-isomerization of cis-[Pd(L-κS,O)2] (HL = N N-diethyl-N’-1-naphthoylthiourea) to trans-[Pd(L-κS,O)2] and the Unprecedented Formation of trans-[Pd(L-κS,N)2] in Solution. Dalton Transactions, 2019 |
| 7701971 | CIF | C22 H25 Cl Cu2 N12 O4 | P b c n | 9.4211; 14.8334; 21.6671 90; 90; 90 | 3027.9 | Wang, Xue-Zhi; Sun, Meng-Ying; Zheng, Ji; Luo, Dong; Li, Qi; Zhou, Xiao-Ping; Li, Dan Coordination-Driven Self-Assembly of M10L8 Metal-Organic Bi-capped Square Antiprisms with Adaptable Cavity Dalton Transactions, 2019 |
| 7702024 | CIF | C28.5 H21 B Cl F15 N O | P b c n | 17.75; 16.032; 20.783 90; 90; 90 | 5914 | Longobardi, Lauren E.; Mahdi, Tayseer; Stephan, Douglas W. B(C6F5)3 mediated arene hydrogenation/transannulation of para-methoxyanilines. Dalton transactions (Cambridge, England : 2003), 2015, 44, 7114-7117 |
| 7702068 | CIF | C38 H40 Cd3 Cl2 N4 O10 | P b c n | 15.432; 19.782; 15.142 90; 90; 90 | 4622.5 | Jiang, Lin; Zhang, Dong-Yan; Suo, Jing-Jing; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping Synthesis, magnetism and spectral studies of six defective dicubane tetranuclear {M4O6} (M = Ni(II), Co(II), Zn(II)) and three trinuclear Cd(II) complexes with polydentate Schiff base ligands. Dalton transactions (Cambridge, England : 2003), 2016, 45, 10233-10248 |
| 7702406 | CIF | C10 H10 Ag N5 O3 | P b c n | 3.822; 15.405; 19.739 90; 90; 90 | 1162.2 | Janiak, Christoph; Uehlin, Lars; Wu, He-Ping; Klüfers, Peter; Piotrowski, Holger; Scharmann, Tobias G. Co-ordination engineering: when can one speak of an “understanding”? Case study of the multidentate ligand 2,2′-dimethyl-4,4′-bipyrimidine † Journal of the Chemical Society, Dalton Transactions, 1999, 3121 |
| 7702433 | CIF | C31 H41.5 Cl2 N4 Ni2 O8.75 S2 | P b c n | 20.517; 27.241; 15.7733 90; 90; 90 | 8815.8 | Brooker, Sally; Caygill, Graham B.; Croucher, Paul D.; Davidson, Tony C.; Clive, Derrick L. J.; Magnuson, Stephen R.; Cramer, Stephen P.; Ralston, Corie Y. Conversion of some substituted phenols to the corresponding masked thiophenols, synthesis of a dinickel(II) dithiolate macrocyclic complex and isolation of some metal- and ligand-based oxidation products Journal of the Chemical Society, Dalton Transactions, 2000, 3113 |
| 7702465 | CIF | C16 H10 N4 S2 | P b c n | 11.882; 9.871; 24.086 90; 90; 90 | 2825 | Rice, Craig R.; Wörl, Stefan; Jeffery, John C.; Paul, Rowena L.; Ward, Michael D. New multidentate ligands for supramolecular coordination chemistry: double and triple helical complexes of ligands containing pyridyl and thiazolyl donor units Journal of the Chemical Society, Dalton Transactions, 2001, 550 |
| 7702873 | CIF | C12 H16 Mo4 N12 O12 | P b c n | 15.2779; 12.6491; 12.1712 90; 90; 90 | 2352.1 | Lysenko, Andrey B.; Senchyk, Ganna A.; Lincke, Jörg; Lässig, Daniel; Fokin, Andrey A.; Butova, Ekaterina D.; Schreiner, Peter R.; Krautscheid, Harald; Domasevitch, Konstantin V. Metal oxide-organic frameworks (MOOFs), a new series of coordination hybrids constructed from molybdenum(VI) oxide and bitopic 1,2,4-triazole linkers. Dalton transactions (Cambridge, England : 2003), 2010, 39, 4223-4231 |
| 7702923 | CIF | C29 H24 Cd N4 O8 | P b c n | 17.0348; 12.6283; 24.9682 90; 90; 90 | 5371.2 | Liu, Guocheng; Li, Yan; Chi, Jie; Xu, Na; Wang, Xiuli; Lin, Hongyan; Chen, Baokuan; Li, Jianrong Various Cd(ii) coordination polymers induced by carboxylates: multi-functional detection of Fe<sup>3+</sup>, anions, aspartic acids and bovine serum albumin. Dalton transactions (Cambridge, England : 2003), 2020, 49, 737-749 |
| 7702931 | CIF | C32 H36 Cu N10 O6 | P b c n | 11.7488; 9.2765; 31.8767 90; 90; 90 | 3474.17 | Yang, Ping; Zhang, Dan-Dan; Wang, Zi-Zhou; Liu, Hui-Zhong; Shi, Qingshan; Xie, Xiao-Bao Copper(II) complexes with NNO ligands: synthesis, crystal structures, DNA cleavage, and anticancer activities Dalton Transactions, 2019 |
| 7702932 | CIF | C32 H36 Cu N10 O6 | P b c n | 11.7231; 9.5146; 30.8378 90; 90; 90 | 3439.67 | Yang, Ping; Zhang, Dan-Dan; Wang, Zi-Zhou; Liu, Hui-Zhong; Shi, Qingshan; Xie, Xiao-Bao Copper(II) complexes with NNO ligands: synthesis, crystal structures, DNA cleavage, and anticancer activities Dalton Transactions, 2019 |
| 7703173 | CIF | C60 H78 Cl2 Co14 Mo24 N24 O82 | P b c n | 36.6408; 22.3598; 22.75 90; 90; 90 | 18639 | Li, Hai-Ye; Pang, Hua-Yu; Yao, Peng-Fei; Huang, Fu-Ping; Bian, He-Dong; Liang, Fu-Pei A novel sandwich shaped {CoCoMo} cluster with a Co triangle encapsulated in two capped Co<sup>III</sup>CoMoO<sub>40</sub> fragments. Dalton transactions (Cambridge, England : 2003), 2020, 49, 1375-1379 |
| 7703258 | CIF | C84 H104 Au4 Cl4 Mo2 O14 P4 | P b c n | 21.6562; 18.6547; 24.8118 90; 90; 90 | 10023.7 | Knöfel, Nicolai D; Schoo, Christoph; Seifert, Tim P.; Roesky, Peter W. A dimolybdenum paddlewheel as a building block for heteromultimetallic structures. Dalton transactions (Cambridge, England : 2003), 2020, 49, 1513-1521 |
| 7703351 | CIF | Ho10 Mo2 O21 | P b c n | 15.8751; 10.53178; 10.5672 90; 90; 90 | 1766.76 | Shlyakhtina, A. V.; Avdeev, M.; Lyskov, N. V.; Abrantes, J. C. C.; Gomes, E.; Denisova, K. N.; Kolbanev, I. V.; Chernyak, S. A.; Volkova, O. S.; Vasiliev, A. N. Structure, conductivity and magnetism of orthorhombic and fluorite polymorphs in MoO<sub>3</sub>-Ln<sub>2</sub>O<sub>3</sub> (Ln = Gd, Dy, Ho) systems. Dalton transactions (Cambridge, England : 2003), 2020, 49, 2833-2842 |
| 7703389 | CIF | C58 H50 N8 O10 Y2 | P b c n | 22.063; 9.969; 24.523 90; 90; 90 | 5393.7 | Wang, Yun-Juan; Wu, Dong-Fang; Gou, Jian; Duan, Yao-Yao; Li, Ling; Chen, Huan-Huan; Gao, Hong-Ling; Cui, Jian-Zhong Modulation of the properties of dinuclear lanthanide complexes through utilizing different β-diketonate co-ligands: near-infrared luminescence and magnetization dynamics. Dalton transactions (Cambridge, England : 2003), 2020, 49, 2850-2861 |
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