Crystallography Open Database

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2242496 CIF
HKL
Paper
C61 H50 Cl8 Fe2 P4P 19.8771; 12.6516; 12.8258
81.058; 83.05; 68.335
1467.87McNeil, Jr, Derek L.; Beckford, Daihlia J.; Kneebone, Jared L.; Carpenter, Stephanie H.; Brennessel, William W.; Neidig, Michael L.
Crystal structures of two new six-coordinate iron(III) complexes with 1,2-bis(diphenylphosphane) ligands
Acta Crystallographica Section E, 2018, 74, 803-807
2242497 CIF
HKL
Paper
C16 H20 O4P b c a9.3504; 13.6265; 22.879
90; 90; 90
2915.09Stikute, Agnese; Skestere, Karina; Mierina, Inese; Mishnev, Anatoly; Jure, Mara
Crystal structure of 3-hydroxy-2-(4-hydroxy-3-methoxyphenylmethyl)-5,5-dimethylcyclohex-2-enone
Acta Crystallographica Section E, 2018, 74, 796-798
2242498 CIF
Paper
C14 H18 Ca Co N2 O14P -18.6299; 8.7781; 14.0726
80.683; 73.602; 89.568
1008.38Lin, Jie-Shuang; Zhang, Bing-Guang
Crystal structure of a heterometallic coordination polymer: <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-pyridine-2,6-dicarboxylato-calcium(II)-μ-pyridine-2,6-dicarboxylato] dihydrate]
Acta Crystallographica Section E, 2018, 74, 808-811
2242499 CIF
HKL
Paper
C12 H11 Cl N2 O5 S2P -17.9906; 9.7081; 10.2704
86.727; 73.088; 73.538
730.73Chemey, Alexander T.; McGuire, Chad M.; Albrecht-Schmitt, Thomas E.
A rare positively charged nicotinic acid disulfide: 2,2'-dithiodinicotinic acid hydrochloride monohydrate
Acta Crystallographica Section E, 2018, 74, 820-824
2242500 CIF
HKL
Paper
C17 H14 O4P 1 21/n 17.8085; 10.5171; 17.124
90; 102.711; 90
1371.8Zharinova, Irina S.; Bilyalova, Alfiya A.; Bezzubov, Stanislav I.
Synthesis and crystal structure of methyl 3-(3-hydroxy-3-phenylprop-2-enoyl)benzoate
Acta Crystallographica Section E, 2018, 74, 816-819
2242501 CIF
HKL
Paper
C20 H27 N O6P 1 21 19.2538; 6.0642; 17.1441
90; 91.475; 90
961.75Oishi, Takeshi; Ishii, Koki; Ishibashi, Mizuki; Sato, Takaaki; Chida, Noritaka
Crystal structure of (–)-(<i>R</i>,<i>E</i>)-3-(1,3-benzodioxol-5-yl)-5-[(4<i>S</i>,5<i>R</i>)-5-hydroxymethyl-2,2-dimethyl-1,3-dioxolan-4-yl]-<i>N</i>,<i>N</i>-dimethylpent-4-enamide
Acta Crystallographica Section E, 2018, 74, 825-828
2242502 CIF
HKL
Paper
C13 H11 N3 S2P 1 21/c 18.8257; 16.0776; 9.7437
90; 116.383; 90
1238.6Vu Quoc, Trung; Nguyen Ngoc, Linh; Do Ba, Dai; Pham Chien, Thang; Nguyen Huy, Hung; Van Meervelt, Luc
Crystal structure and Hirshfield surface analysis of 4-phenyl-3-(thiophen-3-yl-methyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione
Acta Crystallographica Section E, 2018, 74, 812-815
2242503 CIF
HKL
Paper
C6 H24 Br N2 Na O7P c a 2116.5181; 5.5262; 33.2605
90; 90; 90
3036.1Nazarenko, Alexander Y.
Crystal structures of binary compounds of meldonium 3-(1,1,1-trimethylhydrazin-1-ium-2-yl)propanoate with sodium bromide and sodium iodide
Acta Crystallographica Section E, 2018, 74, 829-834
2242504 CIF
HKL
Paper
C6 H18 I N2 Na O4P 1 21/c 119.7455; 11.453; 10.9733
90; 92.382; 90
2479.4Nazarenko, Alexander Y.
Crystal structures of binary compounds of meldonium 3-(1,1,1-trimethylhydrazin-1-ium-2-yl)propanoate with sodium bromide and sodium iodide
Acta Crystallographica Section E, 2018, 74, 829-834
2242505 CIF
HKL
Paper
C8 H6 O2 S4 Se2P 1 21/c 110.96; 9.1348; 13.495
90; 108.29; 90
1282.8Trentin, Ivan; Schindler, Claudia; Schulzke, Carola
Crystal structures of 4,4'-(disulfane-1,2-diyl)bis(5-methyl-2<i>H</i>-1,3-dithiol-2-one) and 4,4'-(diselanane-1,2-diyl)bis(5-methyl-2<i>H</i>-1,3-dithiol-2-one)
Acta Crystallographica Section E, 2018, 74, 840-845
2242506 CIF
HKL
C8 H6 O2 S6P 1 21/c 110.845; 9.0387; 13.37
90; 108.95; 90
1239.6Trentin, Ivan; Schindler, Claudia; Schulzke, Carola
Crystal structures of 4,4'-(disulfane-1,2-diyl)bis(5-methyl-2<i>H</i>-1,3-dithiol-2-one) and 4,4'-(diselanane-1,2-diyl)bis(5-methyl-2<i>H</i>-1,3-dithiol-2-one)
Acta Crystallographica Section E, 2018, 74, 840-845
2242507 CIF
HKL
Paper
C23 H20 N2 O4 SP -4 21 c21.8333; 21.8333; 8.67551
90; 90; 90
4135.55Hammad, Sherif F.; Masoud, Doaa M.; Elgemeie, Galal H.; Jones, Peter G.
Crystal structure of racemic 2-[(β-arabinopyranosyl)sulfanyl]-4,6-diphenylpyridine-3-carbonitrile
Acta Crystallographica Section E, 2018, 74, 853-856
2242508 CIF
HKL
Paper
C66 H67 Cl2 F6 Ir O8 P4 S2P -113.3105; 14.3109; 19.8482
68.949; 74.426; 70.256
3274.11Partl, Gabriel Julian; Nussbaumer, Felix; Schlapp-Hackl, Inge; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul
Crystal structures of four new iridium complexes, each containing a highly flexible carbodiphosphorane PCP pincer ligand
Acta Crystallographica Section E, 2018, 74, 846-852
2242509 CIF
HKL
Paper
C54 H51 Cl2 Ir O P4P 1 21/n 118.7964; 13.7444; 18.8487
90; 101.586; 90
4770.25Partl, Gabriel Julian; Nussbaumer, Felix; Schlapp-Hackl, Inge; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul
Crystal structures of four new iridium complexes, each containing a highly flexible carbodiphosphorane PCP pincer ligand
Acta Crystallographica Section E, 2018, 74, 846-852
2242510 CIF
HKL
Paper
C51 H56 Cl3 Ir O5 P4P 1 21/c 112.6532; 21.8847; 19.9228
90; 99.381; 90
5443.1Partl, Gabriel Julian; Nussbaumer, Felix; Schlapp-Hackl, Inge; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul
Crystal structures of four new iridium complexes, each containing a highly flexible carbodiphosphorane PCP pincer ligand
Acta Crystallographica Section E, 2018, 74, 846-852
2242511 CIF
HKL
Paper
C54 H56 Cl2 Ir O4 P4P 1 21/c 112.5929; 23.2803; 19.7488
90; 107.535; 90
5520.66Partl, Gabriel Julian; Nussbaumer, Felix; Schlapp-Hackl, Inge; Schuh, Walter; Kopacka, Holger; Wurst, Klaus; Peringer, Paul
Crystal structures of four new iridium complexes, each containing a highly flexible carbodiphosphorane PCP pincer ligand
Acta Crystallographica Section E, 2018, 74, 846-852
2242512 CIF
HKL
Paper
C18 H19 N3 O3P -17.1597; 9.8762; 12.243
110.426; 94.051; 93.378
806Yang, Guiwen; Feng, Huixiao; Yin, Zhenming
Crystal structure of 2-{5-[2-(2-hydroxyphenyl)diazen-1-yl]-1-methylpyrrol-2-yl}phenol methanol monosolvate
Acta Crystallographica Section E, 2018, 74, 871-873
2242513 CIF
HKL
Paper
C36 H38 O8 SP 21 21 2110.0069; 10.1898; 32.0045
90; 90; 90
3263.4Clarke, Zane; Barnes, Evan; Prichard, Kate L.; Mares, Laura J.; Clegg, Jack K.; McCluskey, Adam; Houston, Todd A.; Simone, Michela I.
The crystal structures of 3-<i>O</i>-benzyl-1,2-<i>O</i>-isopropylidene-5-<i>O</i>-methanesulfonyl-6-<i>O</i>-triphenylmethyl-α-<small>D</small>-glucofuranose and its azide displacement product
Acta Crystallographica Section E, 2018, 74, 862-867
2242514 CIF
HKL
Paper
C35 H35 N3 O5P 21 21 2110.0943; 10.9625; 27.5392
90; 90; 90
3047.45Clarke, Zane; Barnes, Evan; Prichard, Kate L.; Mares, Laura J.; Clegg, Jack K.; McCluskey, Adam; Houston, Todd A.; Simone, Michela I.
The crystal structures of 3-<i>O</i>-benzyl-1,2-<i>O</i>-isopropylidene-5-<i>O</i>-methanesulfonyl-6-<i>O</i>-triphenylmethyl-α-<small>D</small>-glucofuranose and its azide displacement product
Acta Crystallographica Section E, 2018, 74, 862-867
2242515 CIF
HKL
Paper
C19 H17 Cl F8 N2 O3P 1 21/c 114.4535; 6.3387; 23.904
90; 104.214; 90
2122.95Wardell, James L.; Wardell, Solange M. S. V.; Jotani, Mukesh M.; Tiekink, Edward R. T.
Racemic mefloquinium chlorodifluoroacetate: crystal structure and Hirshfeld surface analysis
Acta Crystallographica Section E, 2018, 74, 895-900
2242516 CIF
HKL
Paper
C20 H13 N O2 S2P -17.6461; 9.8772; 11.2191
72.571; 88.496; 86.144
806.54Mohamooda Sumaya, U.; Sankar, E.; Arasambattu MohanaKrishnan, K.; Biruntha, K.; Usha, G.
Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6-phenylsulfonyl-6<i>H</i>-thieno[3,2-<i>c</i>]carbazole
Acta Crystallographica Section E, 2018, 74, 878-883
2242517 CIF
HKL
Paper
C24 H27 PP 1 21/c 114.38617; 9.00514; 17.22745
90; 112.617; 90
2060.17Hill, Nathan D. D.; Boeré, René T.
Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides
Acta Crystallographica Section E, 2018, 74, 889-894
2242518 CIF
HKL
C24 H27 O PP 1 21/c 114.65624; 8.9796; 17.2794
90; 114.205; 90
2074.16Hill, Nathan D. D.; Boeré, René T.
Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides
Acta Crystallographica Section E, 2018, 74, 889-894
2242519 CIF
HKL
C27 H33 O3 PP b c a12.3031; 10.2629; 37.856
90; 90; 90
4779.9Hill, Nathan D. D.; Boeré, René T.
Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides
Acta Crystallographica Section E, 2018, 74, 889-894
2242520 CIF
HKL
C27 H33 O4 PP b c a11.28601; 11.90008; 36.3801
90; 90; 90
4886.01Hill, Nathan D. D.; Boeré, René T.
Two tris(3,5-disubstituted phenyl)phosphines and their isostructural P^V^ oxides
Acta Crystallographica Section E, 2018, 74, 889-894
2242521 CIF
HKL
Paper
C15 H13 N O2P 21 21 214.8637; 14.6601; 16.6512
90; 90; 90
1187.27Moussa Slimane, Nabila; Bouhidel, Zakaria; Cherouana, Aouatef
A new crystal form and antimicrobial activity of (<i>E</i>)-1-[3-(2-hydroxybenzylideneamino)phenyl]ethanone
Acta Crystallographica Section E, 2018, 74, 884-888
2242522 CIF
HKL
Paper
C13 H10 N2 O2 S2C 1 2/c 125.531; 4.8522; 20.861
90; 107.81; 90
2460.4Chrysochos, Nicolas; Schulzke, Carola
Crystal structure of 1-ethyl-3-(2-oxo-1,3-dithiol-4-yl)quinoxalin-2(1<i>H</i>)-one
Acta Crystallographica Section E, 2018, 74, 901-904
2242523 CIF
HKL
C25 H22 OP -19.167; 10.4566; 11.2499
64.707; 71.312; 77.032
918.75Mohamooda Sumaya, U.; KarunaKaran, J.; Biruntha, K.; MohanaKrishnan, A. K.; Usha, G.
Crystal structure and Hirshfeld surface analysis and energy frameworks of 1-(2,4-dimethylphenyl)-4-(4-methoxyphenyl)naphthalene
Acta Crystallographica Section E, 2018, 74, 939-943
2242524 CIF
HKL
Paper
C11 H9 N O3C 1 2/c 121.191; 7.2352; 12.9569
90; 103.92; 90
1928.2Zemamouche, Wissem; Laroun, Rima; Hamdouni, Noudjoud; Brihi, Ouarda; Boudjada, Ali; Debache, Abdelmadjid
Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-4-(4-hydroxybenzylidene)-3-methylisoxazol-5(4<i>H</i>)-one
Acta Crystallographica Section E, 2018, 74, 926-930
2242525 CIF
HKL
Paper
C6 H6 Na2 O9 S2P 1 21/n 16.8156; 16.1449; 9.587
90; 92.727; 90
1053.73Herbst-Gervasoni, Corey J.; Gau, Michael R.; Zdilla, Michael J.; Valentine, Ann M.
Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates
Acta Crystallographica Section E, 2018, 74, 918-925
2242526 CIF
HKL
Paper
C6 H14 N2 O9 S2P b c a6.5023; 18.779; 20.236
90; 90; 90
2471Herbst-Gervasoni, Corey J.; Gau, Michael R.; Zdilla, Michael J.; Valentine, Ann M.
Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates
Acta Crystallographica Section E, 2018, 74, 918-925
2242527 CIF
HKL
Paper
C12 H18 Li4 O21 S4P 1 21/n 19.5847; 7.4498; 17.599
90; 102.997; 90
1224.4Herbst-Gervasoni, Corey J.; Gau, Michael R.; Zdilla, Michael J.; Valentine, Ann M.
Crystal structures of sodium-, lithium-, and ammonium 4,5-dihydroxybenzene-1,3-disulfonate (tiron) hydrates
Acta Crystallographica Section E, 2018, 74, 918-925
2242528 CIF
HKL
Paper
C20 H26 Cl3 N2 O6 PP -18.4601; 10.9425; 13.5321
78.188; 88.644; 75.442
1186.32Brovarets, V. S.; Golovchenko, O. V.; Rusanov, E. B.; Rusanova, J. A.
Crystal structure of diethyl {2,2,2-trichloro-1-[2-(1,3-dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl)-4-methylpentanamido]ethyl}phosphonate
Acta Crystallographica Section E, 2018, 74, 915-917
2242529 CIF
HKL
Paper
C16 H18 I N3 O3P 1 21/c 112.9877; 14.8982; 8.5593
90; 91.806; 90
1655.3Nguyen Tien, Cong; Le Thi Thu, Huong; Nguyen Van, Thin; Vu Quoc, Trung; Vu Quoc, Manh; Pham Chien, Thang; Van Meervelt, Luc
Crystal structure of (<i>E</i>)<i>-N</i>'-[1-(4-aminophenyl)ethylidene]-2-hydroxy-5-iodobenzohydrazide methanol monosolvate
Acta Crystallographica Section E, 2018, 74, 910-914
2242530 CIF
HKL
Paper
C31 H46 Cl N O7P 1 21/c 114.1073; 16.0156; 13.7785
90; 95.006; 90
3101.2Siddiqui, Rubina; Iqbal, Urooj; Saify, Zafar Saeed; Akhter, Shammim; Yousuf, Sammer
Crystal structure and Hirshfeld surface analysis of 3-octyl-4-oxo-2,6-bis(3,4,5-trimethoxyphenyl)piperidinium chloride
Acta Crystallographica Section E, 2018, 74, 931-934
2242531 CIF
HKL
Paper
C6 H10 Cl3 N5 O3C 1 2/c 121.7056; 11.9074; 10.9562
90; 119.084; 90
2474.7Sangeetha, Ramalingam; Balasubramani, Kasthuri; Thanigaimani, Kaliyaperumal; Jose Kavitha, Savaridasson
Crystal structure and Hirshfeld surface analysis of 2,4-diamino-6-methyl-1,3,5-triazin-1-ium trichloroacetate monohydrate
Acta Crystallographica Section E, 2018, 74, 944-948
2242532 CIFCa2 Ce8 O26 Si6P 63/m9.59912; 9.59912; 7.09284
90; 90; 120
565.996Massoni, Nicolas; Hegron, Ronan; Campayo, Lionel
Reinvestigation of the crystal structure of Ca~2~Ce~8~(SiO~4~)~6~O~2~ apatite by Rietveld refinement
Acta Crystallographica Section E, 2018, 74, 955-959
2242533 CIF
HKL
Paper
C8 H20 N4 O6P b c a10.475; 16.884; 15.514
90; 90; 90
2743.8Chebbi, Hammouda; Mezrigui, Samia; Ben Jomaa, Meriam; Zid, Mohamed Faouzi
Crystal structure, Hirshfeld surface analysis and energy framework calculation of the first oxoanion salt containing 1,3-cyclohexanebis(methylammonium): [3-(azaniumylmethyl)cyclohexyl]methanaminium dinitrate
Acta Crystallographica Section E, 2018, 74, 949-954
2242534 CIF
HKL
Paper
C18 H24 N2 OP 1 21/c 114.2792; 9.8936; 11.4978
90; 97.539; 90
1610.3Lamoureux, Guy; Alvarado-Rojas, Mónica; Pineda, Leslie W.
Crystal structure of (<i>E</i>)-2-(<i>tert</i>-butylamino)-4-(<i>tert</i>-butylimino)naphthalen-1(4<i>H</i>)-one
Acta Crystallographica Section E, 2018, 74, 973-976
2242535 CIF
HKL
Paper
C21 H14 N4 O2P b c a8.7657; 27.285; 14.6938
90; 90; 90
3514.3Sen, Pinar; Kansiz, Sevgi; Dege, Necmi; Iskenderov, Turganbay S.; Yildiz, S. Zeki
Crystal structure and Hirshfeld surface analysis of 4-[4-(1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)phenoxy]phthalonitrile monohydrate
Acta Crystallographica Section E, 2018, 74, 994-997
2242536 CIF
HKL
Paper
C20 H34 Cl2 Cu2 N4 O8P 1 21/n 18.2264; 12.956; 13.173
90; 96.471; 90
1395Serov, Nikita Yu.; Shtyrlin, Valery G.; Islamov, Daut R.; Kataeva, Olga N.; Krivolapov, Dmitry B.
Structure of copper(II) complexes grown from ionic liquids ‒ 1-ethyl-3-methylimidazolium acetate or chloride
Acta Crystallographica Section E, 2018, 74, 981-986
2242537 CIF
HKL
Paper
C14 H25 Cl Cu2 N2 O9P 1 21/c 18.438; 16.315; 15.131
90; 96.53; 90
2069.5Serov, Nikita Yu.; Shtyrlin, Valery G.; Islamov, Daut R.; Kataeva, Olga N.; Krivolapov, Dmitry B.
Structure of copper(II) complexes grown from ionic liquids ‒ 1-ethyl-3-methylimidazolium acetate or chloride
Acta Crystallographica Section E, 2018, 74, 981-986
2242538 CIF
HKL
Paper
C16 H26 Cu2 N2 O10P -18.0542; 8.1633; 16.7195
98.126; 94.745; 92.964
1082.3Serov, Nikita Yu.; Shtyrlin, Valery G.; Islamov, Daut R.; Kataeva, Olga N.; Krivolapov, Dmitry B.
Structure of copper(II) complexes grown from ionic liquids ‒ 1-ethyl-3-methylimidazolium acetate or chloride
Acta Crystallographica Section E, 2018, 74, 981-986
2242539 CIF
HKL
Paper
C32 H60 Cu4 N4 O24P -17.9526; 8.0951; 18.8886
79.177; 78.95; 89.932
1171.46Serov, Nikita Yu.; Shtyrlin, Valery G.; Islamov, Daut R.; Kataeva, Olga N.; Krivolapov, Dmitry B.
Structure of copper(II) complexes grown from ionic liquids – 1-ethyl-3-methylimidazolium acetate or chloride
Acta Crystallographica Section E, 2018, 74, 981-986
2242540 CIF
HKL
Paper
C52 H51 Br2 O P3 Pt2P -111.0257; 14.0341; 17.4469
113.411; 94.083; 96.681
2440.09Ouis, Sakina; Rouag, Djamil Azzedine; Bendjeddou, Lamia; Bailly, Corinne
Crystal structure of homodinuclear platinum complex containing a metal‒metal bond bridged by hydride and phosphide ligands
Acta Crystallographica Section E, 2018, 74, 977-980
2242541 CIF
HKL
Paper
C20 H19 N O2P 1 21/c 124.3079; 7.5677; 18.4555
90; 110.024; 90
3189.8Boudebbous, Khawla; Zemamouche, Wissem; Debache, Abdelmadjid; Hamdouni, Noudjoud; Boudjada, Ali
Crystal structure and Hirshfeld surface analysis of <i>N</i>-[(2-hydroxynaphthalen-1-yl)(3-methylphenyl)methyl]acetamide
Acta Crystallographica Section E, 2018, 74, 1002-1005
2242542 CIF
HKL
Paper
Ge1.14 O4 Ti0.86P 42/m n m4.493; 4.493; 2.9121
90; 90; 90
58.79Stoyanov, Emil; Leinenweber, Kurt; Groy, Thomas L.; Malik, Abds-Sami
Ge~0.57~Ti~0.43~O~2~: a new high-pressure material with rutile-type crystal structure
Acta Crystallographica Section E, 2018, 74, 1010-1012
2242543 CIF
HKL
Paper
C40 H42 Mo2 O6P -18.2123; 8.7728; 13.4788
91.005; 96.975; 115.515
867.24Brown, Loren; Maron, Danny; Smith, Casey; Merola, Joseph
Crystal structure of the tetramethyl(phenethyl)cyclopentadienylmolybdenumtricarbonyl dimer
Acta Crystallographica Section E, 2018, 74, 1017-1020
2242544 CIF
HKL
Paper
C11 H10 N4P 1 2/n 113.2798; 5.9792; 13.413
90; 113.046; 90
980.03Peters, Morten K.; Näther, Christian; Herges, Rainer
Crystal structure of 2-[2-(pyridin-3-yl)diazen-1-yl]aniline
Acta Crystallographica Section E, 2018, 74, 1013-1016
2242545 CIF
HKL
Paper
C27 H33 N3 O6P 1 21/c 118.084; 7.3858; 20.614
90; 104.725; 90
2662.9Atioğlu, Zeliha; Akkurt, Mehmet; Toze, Flavien A. A.; Mammadova, Gunay Z.; Panahova, Humay M.
Crystal structure and Hirshfeld surface analysis of 3,3',3''-[(1,3,5-triazine-2,4,6-triyl)tris(oxy)]tris(5,5-dimethylcyclohex-2-en-1-one)
Acta Crystallographica Section E, 2018, 74, 1035-1038

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