Crystallography Open Database

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2243912 CIF
HKL
Paper
C21 H25 N5 O8 S2P 1 21/c 111.0631; 9.7215; 21.9271
90; 96.746; 90
2341.93Fujii, Isao
Crystal structure of nafamostat dimesylate
Acta Crystallographica Section E, 2021, 77, 999-1002
2243913 CIF
HKL
Paper
C19 H16 O3P -18.643; 9.9526; 10.0677
79.039; 70.124; 68.366
755Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher
Formation of 1-(thiazol-2-yl)-4,5-dihydropyrazoles from simple precursors: synthesis, spectroscopic characterization and the structures of an intermediate and two products
Acta Crystallographica Section E, 2021, 77
2243914 CIF
HKL
Paper
C28 H23 N3 O2 SC 1 c 115.7724; 17.6042; 9.3589
90; 114.259; 90
2369.1Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher
Formation of 1-(thiazol-2-yl)-4,5-dihydropyrazoles from simple precursors: synthesis, spectroscopic characterization and the structures of an intermediate and two products
Acta Crystallographica Section E, 2021, 77
2243915 CIF
HKL
Paper
C29 H25 N3 O2 SC 1 c 116.5634; 17.725; 9.4032
90; 116.401; 90
2472.7Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher
Formation of 1-(thiazol-2-yl)-4,5-dihydropyrazoles from simple precursors: synthesis, spectroscopic characterization and the structures of an intermediate and two products
Acta Crystallographica Section E, 2021, 77
2243916 CIF
Paper
C73 H79.94 F2 Fe8 N9 O32.47F d d 231.676; 44.806; 12.6056
90; 90; 90
17891Ward, Cassandra L.; Allen, Matthew J.; Lutter, Jacob C.
Hexa-μ-acetato-chlorido(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)-μ~3~-oxido-tetrairon(III)–water (1/1) and hexa-μ-acetato-(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)fluorido-μ~3~-oxido-tripyridinetetrairon(III)–pyridine–water (1/1/0.24)
Acta Crystallographica Section E, 2021, 77, 1003-1009
2243917 CIFC34 H39 Cl Fe4 N4 O17P 1 21 111.846; 15.5041; 12.6425
90; 115.449; 90
2096.64Ward, Cassandra L.; Allen, Matthew J.; Lutter, Jacob C.
Hexa-μ-acetato-chlorido(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)-μ~3~-oxido-tetrairon(III)–water (1/1) and hexa-μ-acetato-(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)fluorido-μ~3~-oxido-tripyridinetetrairon(III)–pyridine–water (1/1/0.24)
Acta Crystallographica Section E, 2021, 77, 1003-1009
2243918 CIF
HKL
Paper
C12 H60 Cl7 Co2 N12 Na O6P -3 c 111.429; 11.429; 15.5815
90; 90; 120
1762.61Conrad-Marut, Linden H.; Reinheimer, Eric W.; Johnson, Adam R.
Synthesis and structure determination of racemic (Δ/Λ)-tris(ethylenediamine)cobalt(III) trichloride hemi(hexaaquasodium chloride)
Acta Crystallographica Section E, 2021, 77
2243919 CIF
HKL
Paper
C44 H52 N8 O18 Pd Re4C 1 2/c 121.1079; 14.0026; 19.4346
90; 109.342; 90
5420Shapovalov, Sergey; Tikhonova, Olga; Skabitsky, Ivan
Crystal structure of the new palladium complexes tetrakis(1,3-dimethylimidazolium-2-ylidene)palladium(II) hexadecacarbonyltetrarhenium diethyl ether disolvate and octa-μ-carbonyl-dicarbonyltetrakis(triphenylphosphane)palladiumdirhenium (unknown solvate)
Acta Crystallographica Section E, 2021, 77
2243920 CIF
HKL
Paper
C82 H60 O10 P4 Pd4 Re2P -112.9278; 13.5132; 14.1184
105.983; 108.51; 106.129
2060.1Shapovalov, Sergey; Tikhonova, Olga; Skabitsky, Ivan
Crystal structure of the new palladium complexes tetrakis(1,3-dimethylimidazolium-2-ylidene)palladium(II) hexadecacarbonyltetrarhenium diethyl ether disolvate and octa-μ-carbonyl-dicarbonyltetrakis(triphenylphosphane)palladiumdirhenium (unknown solvate)
Acta Crystallographica Section E, 2021, 77
2243921 CIF
HKL
Paper
C12 H22 Li4 N12 O19P -18.853; 9.0592; 9.6621
67.806; 62.887; 68.58
620.88Ponnuvel, Anjapuli; Kala, Arumugam Pillai; Nagaraja, Karachalacherevu Seetharamiah; Karnan, Chandran
Polymeric coordination complex of lithium(I) with aqua and cyanurate ligands
Acta Crystallographica Section E, 2021, 77
2243922 CIF
HKL
Paper
C20 H18 O3P 1 21/c 115.6595; 13.1466; 7.6834
90; 93.146; 90
1579.4Seidel, Pierre; Schwarzer, Anke; Mazik, Monika
Crystal structure of 9,9-diethyl-9<i>H</i>-fluorene-2,4,7-tricarbaldehyde
Acta Crystallographica Section E, 2021, 77, 1
2243923 CIF
HKL
Paper
C18 H42 Cd2 Cl7 Fe N6 O6R -3 :H13.7143; 13.7143; 16.1312
90; 90; 120
2627.51Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Petrusenko, Svitlana; Sobolev, Alexandre N.
Crystal structure of hexakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)iron(III) μ-chlorido-bis(trichloridocadmium)
Acta Crystallographica Section E, 2021, 77
2243924 CIF
HKL
Paper
C23 H28 N2 OP -15.2353; 13.5065; 14.3158
98.045; 98.327; 91.255
990.83Abad, Nadeem; Chkirate, Karim; Al-Ostoot, Fares Hezam; Van Meervelt, Luc; Lahmidi, Sanae; Ferfra, Souad; Ramli, Youssef; Essassi, El Mokhtar
Crystal structure, Hirshfeld surface analysis and density functional theory study of 1-nonyl-3-phenylquinoxalin-2-one
Acta Crystallographica Section E, 2021, 77, 1037-1042
2243925 CIF
HKL
Paper
C24 H18 Cl3 N O3P 1 21/n 115.0134; 8.1336; 18.2841
90; 104.307; 90
2163.48Atioğlu, Zeliha; Akkurt, Mehmet; Mammadova, Gunay Z.; Bhattarai, Ajaya
Crystal structure and Hirshfeld surface analysis of 2,2,2-trichloro-<i>N</i>,<i>N</i>-bis{[(1<i>RS</i>,4<i>SR</i>)-1,4-dihydro-1,4-epoxynaphthalen-1-yl]methyl}acetamide
Acta Crystallographica Section E, 2021, 77, 1048-1053
2243926 CIF
HKL
Paper
C99.45 H94.9 B2 Cl2.9 Mn2 N6 O6P -111.6553; 13.6846; 16.1109
96.842; 105.959; 111.907
2220.3Frey, Steven T.; Ballot, Jasper G.; Hands, Allison; Cirka, Haley A.; Rinaolo, Katheryn C.; Phalkun, Nich N.; Kaur, Manpreet; Jasinski, Jerry P.
Geometrical variations of two manganese(II) complexes with closely related quinoline-based tripodal ligands
Acta Crystallographica Section E, 2021, 77, 982-988
2243927 CIF
HKL
C50 H52 B Mn N3 O5P 1 21/c 110.3504; 17.4824; 23.9618
90; 96.222; 90
4310.3Frey, Steven T.; Ballot, Jasper G.; Hands, Allison; Cirka, Haley A.; Rinaolo, Katheryn C.; Phalkun, Nich N.; Kaur, Manpreet; Jasinski, Jerry P.
Geometrical variations of two manganese(II) complexes with closely related quinoline-based tripodal ligands
Acta Crystallographica Section E, 2021, 77, 982-988
2243928 CIF
HKL
Paper
C15 H18 N4 O2P 1 21/c 114.3158; 8.3972; 13.0871
90; 108.04; 90
1495.9Pokhodylo, Nazariy T.; Slyvka, Yurii; Pavlyuk, Volodymyr
Synthesis, crystal structure and Hirshfeld surface analysis of 5-cyclopropyl-<i>N</i>-(2-hydroxyethyl)-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carboxamide
Acta Crystallographica Section E, 2021, 77
2243929 CIF
HKL
Paper
C19 H28 N2 O5 SP -18.5368; 9.6594; 13.5173
75.947; 79.302; 74.554
1033.47Mambourg, Kalina; Tumanov, Nikolay; Henon, Gilles; Lanners, Steve; Garcia-Ladona, Javier; Wouters, Johan
Crystal structures of two alanylpiperidine analogues
Acta Crystallographica Section E, 2021, 77
2243930 CIF
HKL
Paper
C17 H24 N2 O5 SP 1 21/n 112.1013; 12.3092; 12.4348
90; 100.546; 90
1820.97Mambourg, Kalina; Tumanov, Nikolay; Henon, Gilles; Lanners, Steve; Garcia-Ladona, Javier; Wouters, Johan
Crystal structures of two alanylpiperidine analogues
Acta Crystallographica Section E, 2021, 77
2243931 CIF
HKL
Paper
C21 H25 N O3P 1 21 115.7976; 5.9184; 19.534
90; 90.31; 90
1826.33Martens, Viktor; Görls, Helmar; Imhof, Wolfgang
Crystal structure of 2-oxo-1,2-diphenylethyl diisopropylcarbamate
Acta Crystallographica Section E, 2021, 77
2243932 CIF
HKL
Paper
C31 H28 F3 N O5 SP 1 21/n 111.1507; 18.4653; 12.8519
90; 91.786; 90
2644.9Atioğlu, Zeliha; Akkurt, Mehmet; Mammadova, Gunay Z.; Mlowe, Sixberth
Crystal structure and Hirshfeld surface analysis of (3a<i>SR</i>,6<i>RS</i>,6a<i>SR</i>,7<i>RS</i>,11b<i>SR</i>,11c<i>RS</i>)-2,2-dibenzyl-2,3,6a,11c-tetrahydro-1<i>H</i>,6<i>H</i>,7<i>H</i>-3a,6:7,11b-diepoxydibenzo[<i>de</i>,<i>h</i>]isoquinolin-2-ium trifluoromethanesulfonate
Acta Crystallographica Section E, 2021, 77
2243933 CIF
HKL
Paper
C3 H6 N4 O2P n a 2110.7174; 13.8944; 4.0643
90; 90; 90
605.22Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.
Hydrogen-bonding landscape of the carbamoylcyanonitrosomethanide anion in the crystal structure of its ammonium salt
Acta Crystallographica Section E, 2021, 77
2243934 CIF
HKL
Paper
C9 H7 N O3P 1 21 16.8165; 4.4676; 13.2879
90; 95.1319; 90
403.04Poirot, Alexandre; Saffon-Merceron, Nathalie; Leygue, Nadine; Benoist, Eric; Fery-Forgues, Suzanne
Crystal structure of methyl 1,3-benzoxazole-2-carboxylate
Acta Crystallographica Section E, 2021, 77
2243935 CIF
HKL
Paper
C16 H17 N OP b c a7.6699; 11.608; 30.1431
90; 90; 90
2683.7Kansiz, Sevgi; Gul, Adem; Dege, Necmi; Agar, Erbil; Saif, Eiad
Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenol
Acta Crystallographica Section E, 2021, 77
2243936 CIF
HKL
C24 H36 N4 O6 Si2I 1 2/c 112.9641; 16.8966; 13.1085
90; 101.198; 90
2816.7Böhme, Uwe; Schwarzer, Anke; Günther, Betty
Formation of a macrocycle from dichlorodimethylsilane and a pyridoxalimine Schiff base ligand
Acta Crystallographica Section E, 2021, 77
2243937 CIF
HKL
Paper
C6 H N8 O8 RbC 1 2/c 119.44; 8.607; 16.0977
90; 115.264; 90
2435.8Domasevitch, Kostiantyn V.; Ponomarova, Vira V.
Isostructural rubidium and caesium 4-(3,5-dinitropyrazol-4-yl)-3,5-dinitropyrazolates: crystal engineering with polynitro energetic species
Acta Crystallographica Section E, 2021, 77
2243938 CIF
HKL
Paper
C6 H Cs N8 O8C 1 2/c 119.944; 8.6307; 16.2083
90; 113.766; 90
2553.4Domasevitch, Kostiantyn V.; Ponomarova, Vira V.
Isostructural rubidium and caesium 4-(3,5-dinitropyrazol-4-yl)-3,5-dinitropyrazolates: crystal engineering with polynitro energetic species
Acta Crystallographica Section E, 2021, 77
2243939 CIF
HKL
Paper
C30 H58 Co N20 O2 S2P 1 21/c 113.0008; 12.5903; 12.9988
90; 114.899; 90
1929.93Krebs, Christoph; Ceglarska, Magdalena; Näther, Christian
Synthesis and crystal structure of diaquabis(hexamethylenetramine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)–hexamethylenetetramine–acetonitrile (1/2/2)
Acta Crystallographica Section E, 2021, 77
2243940 CIF
HKL
Paper
C32 H46 Cl4 N6 Ni2 O2P 1 21 113.3729; 8.9363; 16.4248
90; 114.014; 90
1792.9Homrani, Yasmina; Dahdouh, Abdelaziz; El Amrani, Mohamed Amin; Loxq, Pauline; Capet, Frédéric; Suisse, Isabelle; Sauthier, Mathieu
Synthesis and crystal structure of a new chiral α-aminooxime nickel(II) complex
Acta Crystallographica Section E, 2021, 77
2243941 CIF
HKL
Paper
C16 H20 Co N6 S2P 1 21/m 15.3708; 15.22; 11.8014
90; 99.076; 90
952.61Krebs, Christoph; Jess, Inke; Näther, Christian
Comparison of the crystal structures of the low- and high-temperature forms of bis[4-(dimethylamino)pyridine]dithiocyanatocobalt(II)
Acta Crystallographica Section E, 2021, 77
2243942 CIF
HKL
Paper
C16 H20 Co N6 S2P 1 21/c 113.9171; 9.5114; 14.4487
90; 90.489; 90
1912.52Krebs, Christoph; Jess, Inke; Näther, Christian
Comparison of the crystal structures of the low- and high-temperature forms of bis[4-(dimethylamino)pyridine]dithiocyanatocobalt(II)
Acta Crystallographica Section E, 2021, 77
2243943 CIF
HKL
Paper
C12 H26 Hg N2 O2 S4P b c n12.235; 8.017; 21.251
90; 90; 90
2084Qadir, Adnan M.; Kansiz, Sevgi; Dege, Necmi; Saif, Eiad
Crystal structure and Hirshfeld surface analysis of bis[(ethoxymethanethioyl)sulfanido](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine)mercury(II)
Acta Crystallographica Section E, 2021, 77
2243944 CIF
HKL
Paper
C10 H12 Cl N O2P 21 21 216.8913; 7.6898; 19.7527
90; 90; 90
1046.75Belov, Feodor; Villinger, Alexander; von Langermann, Jan
(<i>R</i>)-Baclofen [(<i>R</i>)-4-amino-3-(4-chlorophenyl)butanoic acid]
Acta Crystallographica Section E, 2022, 78, 33-35
2243945 CIF
HKL
Paper
C20 H19 I N2 SP -18.6382; 9.8182; 12.1922
77.2839; 85.1708; 74.7224
972.65Kang, Sungmin; Kim, Taek Hyeon; Kwak, Chee-Hun
Synthesis and crystal structure of (<i>E</i>)-2-benzyl-1,3-diphenylisothiouronium iodide
Acta Crystallographica Section E, 2022, 78, 51-53
2243946 CIF
HKL
Paper
C16 H13 N3 O SP 1 21/n 111.7685; 16.3641; 16.3798
90; 110.646; 90
2951.85Pirnazarova, Nasiba; Yakubov, Ubaydullo; Allabergenova, Sevara; Tojiboev, Akmaljon; Turgunov, Kambarali; Elmuradov, Burkhon
Crystal structure and Hirshfeld surface analysis of 3-methyl-4-oxo-<i>N</i>-phenyl-3,4-dihydroquinazoline-2-carbothioamide
Acta Crystallographica Section E, 2022, 78, 47-50
2243947 CIF
HKL
Paper
C10 H16 O2 SiP -18.2422; 8.3075; 8.294
94.149; 103.012; 104.909
529.55Schmidt, Annika; Krupp, Anna; Barth, Eva Rebecca; Strohmann, Carsten
Crystal structures and Hirshfeld surface analyses of bis(4,5-dihydrofuran-2-yl)dimethylsilane and (4,5-dihydrofuran-2-yl)(methyl)diphenylsilane
Acta Crystallographica Section E, 2022, 78
2243948 CIF
HKL
C17 H18 O SiP -18.7737; 9.1715; 9.813
102.219; 90.613; 110.28
720.85Schmidt, Annika; Krupp, Anna; Barth, Eva Rebecca; Strohmann, Carsten
Crystal structures and Hirshfeld surface analyses of bis(4,5-dihydrofuran-2-yl)dimethylsilane and (4,5-dihydrofuran-2-yl)(methyl)diphenylsilane
Acta Crystallographica Section E, 2022, 78
2243949 CIF
HKL
Paper
C19 H21 N O2P n a 2117.3298; 14.1856; 6.5857
90; 90; 90
1618.99Gümüş, Mustafa Kemal; Kansiz, Sevgi; Tulemisova, Gulzhamal Bagitovna; Dege, Necmi; Saif, Eiad
Crystal structure and Hirshfeld surface analysis of 3-(hydroxymethyl)-3-methyl-2,6-diphenylpiperidin-4-one
Acta Crystallographica Section E, 2022, 78
2243950 CIF
HKL
Paper
C6 H16 N2P 1 21/c 15.6987; 8.311; 8.453
90; 106.954; 90
382.95Schrimpf, Tobias; Otte, Felix; Strohmann, Carsten
Crystal structure of <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethanediamine
Acta Crystallographica Section E, 2022, 78
2243951 CIF
HKL
Paper
C41 H37 Fe N3P 1 21/n 111.8528; 10.9022; 24.927
90; 93.057; 90
3216.5Brennessel, William W.; Ellis, John E.
Crystal structures of two novel iron isocyanides from the reaction of 2,6-dimethylphenyl isocyanide, CNXyl, with bis(anthracene)ferrate({-}1)
Acta Crystallographica Section E, 2022, 78
2243952 CIF
HKL
Paper
C89 H99 Fe N9 O2P -113.8912; 15.4941; 19.7902
85.342; 74.001; 70.884
3868.5Brennessel, William W.; Ellis, John E.
Crystal structures of two novel iron isocyanides from the reaction of 2,6-dimethylphenyl isocyanide, CNXyl, with bis(anthracene)ferrate({-}1)
Acta Crystallographica Section E, 2022, 78
2243953 CIF
HKL
Paper
C21 H32 K N O6P 1 21/n 110.784; 9.754; 21.783
90; 91.864; 90
2290.1Brennessel, William W.; Ellis, John E.
Crystal structures of two novel iron isocyanides from the reaction of 2,6-dimethylphenyl isocyanide, CNXyl, with bis(anthracene)ferrate({-}1)
Acta Crystallographica Section E, 2022, 78
2243954 CIF
HKL
Paper
C13 H13 N O4C 1 2/c 110.6287; 12.374; 17.5419
90; 92.836; 90
2304.28Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt
Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and <i>o</i>-, <i>m</i>- and <i>p</i>-aminobenzoic acid
Acta Crystallographica Section E, 2022, 78
2243955 CIF
HKL
C13 H13 N O4P n m a11.488; 6.4726; 15.2012
90; 90; 90
1130.32Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt
Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and <i>o</i>-, <i>m</i>- and <i>p</i>-aminobenzoic acid
Acta Crystallographica Section E, 2022, 78
2243956 CIF
HKL
C13 H13 N O4P 1 21/c 110.8649; 10.6185; 11.3616
90; 118.422; 90
1152.78Halz, Jan Henrik; Hentsch, Andreas; Wagner, Christoph; Merzweiler, Kurt
Synthesis and crystal structures of three Schiff bases derived from 3-formylacetylacetone and <i>o</i>-, <i>m</i>- and <i>p</i>-aminobenzoic acid
Acta Crystallographica Section E, 2022, 78
2243957 CIF
HKL
Paper
C8 H4 F5 N OP 1 21/c 114.4934; 5.8247; 9.7836
90; 90.87; 90
825.83Novikov, Anton P.; Bezdomnikov, Alexey A.; Grigoriev, Mikhail S.; German, Konstantin E.
Synthesis, crystal structure and Hirshfeld surface analysis of 2-(perfluorophenyl)acetamide in comparison with some related compounds
Acta Crystallographica Section E, 2022, 78, 80-83
2243958 CIF
HKL
Paper
B2 Pr Rh3P 6/m m m5.4676; 5.4676; 3.10837
90; 90; 120
80.474Tokuda, Makoto; Yubuta, Kunio; Shishido, Toetsu; Sugiyama, Kazumasa
Redetermination of the crystal structures of rare-earth trirhodium diboride <i>RE</i>Rh~3~B~2~ (<i>RE</i> = Pr, Nd and Sm) from single-crystal X-ray data
Acta Crystallographica Section E, 2022, 78
2243959 CIF
HKL
Paper
B2 Nd Rh3P 6/m m m5.4527; 5.4527; 3.11066
90; 90; 120
80.095Tokuda, Makoto; Yubuta, Kunio; Shishido, Toetsu; Sugiyama, Kazumasa
Redetermination of the crystal structures of rare-earth trirhodium diboride <i>RE</i>Rh~3~B~2~ (<i>RE</i> = Pr, Nd and Sm) from single-crystal X-ray data
Acta Crystallographica Section E, 2022, 78
2243960 CIF
HKL
Paper
B2 Rh3 SmP 6/m m m5.4438; 5.4438; 3.11901
90; 90; 120
80.048Tokuda, Makoto; Yubuta, Kunio; Shishido, Toetsu; Sugiyama, Kazumasa
Redetermination of the crystal structures of rare-earth trirhodium diboride <i>RE</i>Rh~3~B~2~ (<i>RE</i> = Pr, Nd and Sm) from single-crystal X-ray data
Acta Crystallographica Section E, 2022, 78
2243961 CIF
HKL
Paper
C28 H48 Co N6 S4C 1 2/c 124.0667; 8.8282; 18.891
90; 125.619; 90
3262.76Krebs, Christoph; Jess, Inke; Näther, Christian
Synthesis, crystal structure and thermal properties of bis(1,3-dicyclohexylthiourea-κ<i>S</i>)bis(isothiocyanato-κ<i>N</i>)cobalt(II)
Acta Crystallographica Section E, 2022, 78

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