Crystallography Open Database
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Searching journal of publication like 'Journal of Chemical Crystallography'
COD ID: 1100152 | |
CIF file | Formula: - C22 H20 Cl2 Cu N16 O10 - Comments: Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas Structure of the adduct of bis(2,2'biimidazole)copper(II) perchlorate with 4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one Journal of Chemical Crystallography 34(8) (2004) 549-552 Space group: C 1 2/c 1 Cell volume: 3028.8 Cell parameters: 19.666; 11.7586; 13.4808; 90; 103.69; 90; |
COD ID: 1101093 | |
CIF file | Formula: - C34 H42 Co N12 O8 - Comments: Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas A cobalt(II) complex with the N,N,O-tridentate ligand 6-amino-5-formyl-1,3-dimethyluracilato-benzoyl-hydrazone Journal of Chemical Crystallography 29 (1999) 283-286 Space group: P -1 Cell volume: 1869 Cell parameters: 9.7368; 12.3461; 17.1837; 78.372; 74.585; 71.113; |
COD ID: 1101105 | |
CIF file | Formula: - C20 H42 N8 Ni O22 - Comments: Francisca Barrios; Juan M. Salas; M. Purificación Sánchez; Miguel Quirós; René Faure X-ray crystal structure of tetraaquabis(xanthosinato) nickel(II) hexahydrate Journal of Chemical Crystallography 29 (1999) 1009-1013 Space group: P 1 Cell volume: 814.3 Cell parameters: 7.152; 8.83; 13.783; 82.024; 86.155; 70.9; |
COD ID: 1101107 | |
CIF file | Formula: - C16 H22 Cl2 Cu N8 O15 - Comments: Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Crystal structure of the Λ-[4M] enantiomer of cis-diaqua-bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-N^5^,O^4^) copper(II) perchlorate monohydrate Journal of Chemical Crystallography 29(5) (1999) 571-574 Space group: P 21 21 21 Cell volume: 2636.2 Cell parameters: 8.749; 14.213; 21.2; 90; 90; 90; |
COD ID: 1101129 | |
CIF file | Formula: - C12 H14 N2 O3 - Comments: Raj P. Sharma; Paramjit Singh; Kuldip K. Bhasin; Miguel Quirós; Juan M. Salas; J. F. Hansen Synthesis, spectroscopic and X-ray structural study of 4-p-methoxy-phenylimino-3-hydroxyimino-2-pentanone Journal of Chemical Cristallography 26(6) (1996) 407-412 Space group: P 21 21 21 Cell volume: 1223.9 Cell parameters: 7.2294; 11.54; 14.67; 90; 90; 90; |
COD ID: 1101130 | |
CIF file | Formula: - C16 H16 Au Br4 N8 Na O4 - Comments: Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas Gold(III)-pteridine compounds: synthesis, spectral, and X-ray diffraction stuides on new adducts between sodium tetrabromoaurate(III) and lumazine derivatives Journal of Chemical Cristallography 28(7) (1998) 565-570 Space group: P b c a Cell volume: 5010.5 Cell parameters: 15.2488; 15.238; 21.563; 90; 90; 90; |
COD ID: 1500012 | |
CIF file | Formula: - C8 H32 Co2 Cr2 N12 O15 - Comments: Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós Synthesis, spectroscopic characterisation and X-ray structure of [trans-Co(en)~2~(NO~2~)~2~]~2~(Cr~2~O~7~) Journal of Chemical Crystallography 35(10) (2005) 769-775 Space group: F d d 2 Cell volume: 4932.8 Cell parameters: 24.778; 30.457; 6.5364; 90; 90; 90; |
COD ID: 1509283 | |
CIF file | Formula: - Ag Cs Se4 - Comments: Schimek, G.L.; Emirdag, M.; Kolis, J.W. Synthesis and characterisation of M Ag Se4 (M = Rb, Cs) Journal of Chemical Crystallography 28 (1998) 705-711 Space group: P 21 21 21 Cell volume: 738.987 Cell parameters: 5.855; 9.09; 13.885; 90; 90; 90; |
COD ID: 1509517 | |
CIF file | Formula: - Ag Rb Se4 - Comments: Kolis, J.W.; Emirdag, M.; Schimek, G.L. Synthesis and characterisation of M Ag Se4 (M = Rb, Cs) Journal of Chemical Crystallography 28 (1998) 705-711 Space group: P 21 21 21 Cell volume: 696.698 Cell parameters: 5.809; 8.927; 13.435; 90; 90; 90; |
COD ID: 1509674 | |
CIF file | Formula: - Ag2 Mn3 O14 P4 - Comments: Holt, E.M.; Erragh, F.; Bennazha, J.; Boukhari, A. Identification of a new family of diphosphate compounds, A(I)2 B(II)3 (P2 O7)2: structures of Ag2 Co3 (P2 O7)2, Ag2 Mn3 (P2 O7)2, and Na2 Cd3 (P2 O7)2 Journal of Chemical Crystallography 30 (2000) 705-716 Space group: P -1 Cell volume: 557.547 Cell parameters: 5.432; 6.619; 16.51; 80.78; 82.43; 72.82; |
COD ID: 1509781 | |
CIF file | Formula: - Ag2 Co3 O14 P4 - Comments: Boukhari, A.; Erragh, F.; Holt, E.M.; Bennazha, J. Identification of a new family of diphosphate compounds, A(I)2 B(II)3 (P2 O7)2: structures of Ag2 Co3 (P2 O7)2, Ag2 Mn3 (P2 O7)2, and Na2 Cd3 (P2 O7)2 Journal of Chemical Crystallography 30 (2000) 705-716 Space group: P -1 Cell volume: 528.942 Cell parameters: 5.351; 6.375; 16.532; 80.83; 81.45; 72.87; |
COD ID: 1509918 | |
CIF file | Formula: - Ag5 Cs Se3 - Comments: Schimek, G. L.; Kolis, J. W.; Eanes, M. E. Synthesis and structural characterization of CsAg~5~Se~3~ and RbAg~3~Te~2~ Journal of Chemical Crystallography 30(4) (2000) 223-226 Space group: P 42/m n m Cell volume: 874.639 Cell parameters: 14.083; 14.083; 4.41; 90; 90; 90; |
COD ID: 1510038 | |
CIF file | Formula: - Ag3 Rb Te2 - Comments: Schimek, G. L.; Kolis, J. W.; Eanes, M. E. Synthesis and structural characterization of CsAg~5~Se~3~ and RbAg~3~Te~2~ Journal of Chemical Crystallography 30(4) (2000) 223-226 Space group: C 1 2/m 1 Cell volume: 683.231 Cell parameters: 17.546; 4.617; 9.165; 90; 113.04; 90; |
COD ID: 1511200 | |
CIF file | Formula: - B K3 O13 Sb4 - Comments: Ftini, M. M.; Haddad, A.; Jouini, T. Synthesis and crystal structure of K~3~Sb~4~BO~13~ Journal of Chemical Crystallography 30(1) (2000) 49-53 Space group: P -1 Cell volume: 598.665 Cell parameters: 7.133; 7.232; 13.259; 82; 99.77; 117.08; |
COD ID: 1511768 | |
CIF file | Formula: - C13 H13 N5 O4 - Comments: Carmen Enrique; Miguel Quirós; M. Angustias Romero; Juan M. Salas; M. Purificación Sánchez; Francisco Hueso-Ureña; Miguel N. Moreno-Carretero; J. Daniel Martín Synthesis, Characterization, and Crystal Structure of 1,3,7,9-Tetramethylpyrido-[2,3-d:6,5-d']-dipyrimidine-2,4,6,8-tetrone Journal of Chemical Crystallography 24 (1994) 465-468 Space group: P 1 21/c 1 Cell volume: 1344.8 Cell parameters: 12.72; 13.688; 8.079; 90; 107.06; 90; |
COD ID: 1511771 | |
CIF file | Formula: - C18 H36 Cl2 N16 O2 Pd S4 - Comments: Juan M. Salas; Abderrahman Rahmani; M. Angustias Romero; Miguel Quirós; Edward R.T. Tiekink Spectroscopic, Thermal, and X-ray Diffraction Studies of Tetrakis(thiourea)palladium Chloride Bis(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine) Dihydrate Journal of Chemical Crystallography 24(10) (1994) 669-673 Space group: P 1 21/c 1 Cell volume: 1581.9 Cell parameters: 15.129; 8.512; 12.663; 90; 104.05; 90; |
COD ID: 1513336 | |
CIF file | Formula: - C13 H10 N2 O4 - Comments: Caira, M. R.; Botha, S. A.; Flanagan, D. R. Polymorphism of N-(2,6-dioxo-3-piperidyl)pthalimide (thalidomide): Structural characterization of a second monoclinic racemic modification Journal of Chemical Crystallography 24(1) (1994) 95-99 Space group: C 1 2/c 1 Cell volume: 2296.1 Cell parameters: 20.679; 8.042; 14.162; 90; 102.86; 90; |
COD ID: 1520819 | |
CIF file | Formula: - H19.72 Li6 O27.86 P6 - Comments: Chaabane, T. Ben; Smiri-Dogguy, L. Synthesis and crystal structure of a new lithium cyclohexaphosphate hydrate: Li~6~P~6~O~18~ * 10(H~2~O) Journal of Chemical Crystallography 29(3) (1999) 323-327 Space group: C 1 2/c 1 Cell volume: 2422.45 Cell parameters: 15.113; 12.006; 15.892; 90; 122.85; 90; |
COD ID: 1521099 | |
CIF file | Formula: - Ag N3 - Comments: Guo, G.-C.; Wang, Q.-M.; Mak, T. C. W. Structure refinement and Raman spectrum of silver azide Journal of Chemical Crystallography 29(5) (1999) 561-564 Space group: I b a m Cell volume: 200.861 Cell parameters: 5.6; 5.98; 5.998; 90; 90; 90; |
COD ID: 1521674 | |
CIF file | Formula: - C20 H60 Mo12 N5 O41 P - Comments: Niu, J.-Y.; Wang, J.-P.; Yan, B.; Dang, D.-B.; Zhou, Z.-Y. Preparation, characterization and crystal structure of an intermolecular compound based on H~3~PMo~12~O~40~ . n(H~2~O) and diethylamine Journal of Chemical Crystallography 30(1) (2000) 43-48 Space group: P -1 Cell volume: 2830.04 Cell parameters: 12.0786; 12.102; 21.416; 94.87; 94.755; 113.81; |
COD ID: 1521969 | |
CIF file | Formula: - C5 H2 Fe N6 O2 Rb2 - Comments: Soria, D. B.; Piro, O. E.; Castellano, E. E.; Aymonino, P. J. Crystal and molecular structure determination, TGA, DTA, and infrared and Raman spectra of rubidium nitroprusside monohydrate, Rb~2~[Fe(CN)~5~NO] . (H~2~O) Journal of Chemical Crystallography 29(1) (1999) 75-80 Space group: C 1 2/c 1 Cell volume: 2428.25 Cell parameters: 13.987; 10.241; 18.151; 90; 110.94; 90; |
COD ID: 1525669 | |
CIF file | Formula: - Cd3 Na2 O14 P4 - Comments: Bennazha, J.; Erragh, F.; Holt, E. M.; Boukhari, A. Identification of a new family of diphosphate compounds, A(I)2 B(II)3 (P~2~O~7~)~2~: structures of Ag~2~Co~3~(P~2~O~7~)~2~, Ag~2~Mn~3~(P~2~O~7~)~2~, and Na~2~Cd~3~(P~2~O7)~2~ Journal of Chemical Crystallography 30(11) (2000) 705-716 Space group: P -1 Cell volume: 285.675 Cell parameters: 5.67; 7.08; 7.9; 76.98; 82.5; 67.78; |
COD ID: 1526123 | |
CIF file | Formula: - H48 O52 V10 Y2 - Comments: Navaza, A.; Chevrier, G.; Baran, E. J.; Kiat, J. M. Neutron diffraction structure of Y~2~V~10~O~28~ * 24(H~2~O) at 297 and 60 K Journal of Chemical Crystallography 30(8) (2000) 545-555 Space group: P -1 Cell volume: 2124.3 Cell parameters: 9.36; 9.86; 23.53; 98.79; 98.15; 89.3; |
COD ID: 1526943 | |
CIF file | Formula: - H28 Na4 O14 S4 Sn - Comments: Willett, R. D.; Vij, A.; Imhof, J. M.; Cleary, D. A. Redetermination of the crystal structure of [Na~4~(H~2~O)~14~]SnS~4~: a compound containing a novel chain of aquated sodium ions Journal of Chemical Crystallography 30(6) (2000) 405-410 Space group: C 1 c 1 Cell volume: 2158.15 Cell parameters: 8.621; 23.543; 11.358; 90; 110.58; 90; |
COD ID: 1531135 | |
CIF file | Formula: - F8 H10 In2 N2 O2 - Comments: Benkič, P.; Rahten, A.; Jesih, A.; Pejov, Lj. Crystal structure and vibrational spectra of hydrazinium(2+) aquatetrafluoroindate(III), N~2~H~6~(InF~4~H~2~O)~2~ Journal of Chemical Crystallography 32(8) (2002) 227-235 Space group: P -1 Cell volume: 225.329 Cell parameters: 6.759; 6.228; 5.7854; 80.28; 88.79; 69.96; |
COD ID: 1531146 | |
CIF file | Formula: - C5 H8 Fe N6 O5 Sr - Comments: Chevrier, G.; Navaza, A.; Aymonino, P. J.; Kiat, J. M.; Zuriaga, M. J.; Martin, C. A.; Monti, G. A.; Güida, J. A.; Lanzelotti, P. L. Low temperature phases of strontium nitroprusside tetrahydrate (Sr(Fe(CN)~5~NO) * 4(H~2~O)). Refinement of the neutron structure at 60 K Journal of Chemical Crystallography 31(11-12) (2001) 491-500 Space group: P 1 2/m 1 Cell volume: 1234.51 Cell parameters: 19.765; 7.54; 8.384; 90; 98.87; 90; |
COD ID: 1531352 | |
CIF file | Formula: - Ge Ho Na O4 - Comments: Emirdag-Eanes, M.; Krawiec, M.; Kolis, J. W. Hydrothermal synthesis and structural characterization of NaLnGeO~4~ (Ln = Ho, Er, Tb, Tm, Yb, Lu) family of lanthanide germanates Journal of Chemical Crystallography 31(5) (2002) 281-285 Space group: P n m a Cell volume: 387.934 Cell parameters: 11.418; 6.447; 5.27; 90; 90; 90; |
COD ID: 1532314 | |
CIF file | Formula: - C30 H64 Fe5 N26 Na16 O36 - Comments: Soria, D. B.; Piro, O. E.; Varetti, E. L.; Aymonino, P. J. X-ray diffraction and DFT structures of the pentacyanocarbonylferrate(3-) ion Journal of Chemical Crystallography 31(11-12) (2001) 471-477 Space group: I 4/m Cell volume: 4100.43 Cell parameters: 16.308; 16.308; 15.418; 90; 90; 90; |
COD ID: 1534024 | |
CIF file | Formula: - Cs4 H20 Na2 O38 V10 - Comments: Piro, O. E.; Varetti, E. L.; Ben Altabef, A.; Brandan, S. A. A crystallographic and vibrational study of cesium di-μ-aqua bis[tetraaquasodium(I)] decavanadate, Cs~4~[Na~2~(H~2~O)~10~](V~10~O~28~) Journal of Chemical Crystallography 33(1) (2003) 57-63 Space group: P -1 Cell volume: 888.733 Cell parameters: 8.6161; 10.591; 11.406; 67.976; 86.868; 67.798; |
COD ID: 1534654 | |
CIF file | Formula: - H20 O24 P4 Zn4 - Comments: Assaaoudi, H.; Belanger-Gariepy, F.; Butler, I. S.; Kozinski, J. Crystal structure, vibrational spectra and thermal decomposition of a new tetrazinc(II) dipyrophosphate decahydrate, Zn~4~(P~2~O~7~)~2~.~10~H~2~O Journal of Chemical Crystallography 35(1) (2005) 49-59 Space group: P n m a Cell volume: 1952.23 Cell parameters: 9.1508; 25.5271; 8.3574; 90; 90; 90; |
COD ID: 1535178 | |
CIF file | Formula: - Bi I3 O9 - Comments: Bentria, B.; Benbertal, D.; Masse, R.; Bagieu-Beucher, M.; Mosset, A. Crystal structure of anhydrous bismuth iodate, Bi(IO~3~)~3~ Journal of Chemical Crystallography 33(11) (2003) 867-873 Space group: P 1 21/n 1 Cell volume: 799.343 Cell parameters: 8.8882; 5.9445; 15.2445; 90; 97.0641; 90; |
COD ID: 1535265 | |
CIF file | Formula: - Fe2 Na1.28 Ni0.86 O12 P3 - Comments: Hidouri, M.; Lajmi, B.; Driss, A.; Ben Amara, M. Synthesis and crystal structure of Na~1.28~Ni~0.86~Fe~2~(PO~4~)~3~ Journal of Chemical Crystallography 34(10) (2004) 669-672 Space group: I m m a (c,a,b) Cell volume: 891.28 Cell parameters: 6.438; 10.515; 13.166; 90; 90; 90; |
COD ID: 1535882 | |
CIF file | Formula: - K3 O7 Sc Si2 - Comments: Napper, J. D.; Layland, R. C.; Smith, M. D.; zur Loye, H. C. Crystal Growth and Structure Determination of the New Silicate K~3~ScSi~2~O~7~ Journal of Chemical Crystallography 34(6) (2004) 347-351 Space group: P 63/m m c Cell volume: 371.358 Cell parameters: 5.6065; 5.6065; 13.642; 90; 90; 120; |
COD ID: 1536505 | |
CIF file | Formula: - Ba Be F4 - Comments: Werner, F.; Kubel, F. Barite-type Ba(BeF~4~)~x~(SO~4~)~1-x~ (x=1 and approx.0.5) Journal of Chemical Crystallography 35(6) (2005) 457-462 Space group: P n m a Cell volume: 332.654 Cell parameters: 8.8594; 5.3265; 7.0493; 90; 90; 90; |
COD ID: 1536509 | |
CIF file | Formula: - Ba Be0.535 F2.14 O1.86 S0.465 - Comments: Werner, F.; Kubel, F. Barite-type Ba(BeF~4~)~x~(SO~4~)~1-x~ (x=1 and approx.0.5) Journal of Chemical Crystallography 35(6) (2005) 457-462 Space group: P n m a Cell volume: 339.328 Cell parameters: 8.8657; 5.3902; 7.1007; 90; 90; 90; |
COD ID: 1537143 | |
CIF file | Formula: - Bi2 Cu3 H71 Na11 O101.5 W18 - Comments: Rosu, C.; Rasu, D.; Weakley, T. J. R. X-ray structure of dodecasodium tricopper(II)bis[nonatungstabismuthate(III) hydrate, a polyoxometalate salt containing α-B-BiW~9~O~33~ units Journal of Chemical Crystallography 33(10) (2003) 751-755 Space group: C 1 2/m 1 Cell volume: 9658.34 Cell parameters: 33.082; 19.615; 14.885; 90; 90.63; 90; |
COD ID: 1541688 | |
CIF file | Formula: - C H6 N6 O4 - Comments: Gilardi, R. D.; Butcher, R. J. A new class of flexible energetic salts. Part 7: The structures of the guanidinium and hydroxyguanidinium salts of dinitramide Journal of Chemical Crystallography 32(11) (2002) 477-484 Space group: P -1 Cell volume: 659.538 Cell parameters: 8.325; 9.301; 9.868; 84.73; 69.25; 67.55; |
COD ID: 1541757 | |
CIF file | Formula: - Cd2 Cl6 H16 O8 Sr - Comments: Yahyaoui, S.; Ben Hassen, R.; Ben Salah, A. Crystal structure of a new double salt hydrate SrCdCl~6~ * 8H~2~O Journal of Chemical Crystallography 32(8) (2002) 243-250 Space group: P -1 Cell volume: 801.43 Cell parameters: 9.688; 11.212; 7.732; 99.85; 89.95; 75.81; |
COD ID: 1541839 | |
CIF file | Formula: - C H6 N6 O5 - Comments: Gilardi, R. D.; Butcher, R. J. A new class of flexible energetic salts. Part 7: The structures of the guanidinium and hydroxyguanidinium salts of dinitramide Journal of Chemical Crystallography 32(11) (2002) 477-484 Space group: P 1 c 1 Cell volume: 353.973 Cell parameters: 7.098; 3.516; 14.358; 90; 98.94; 90; |
COD ID: 1557684 | |
CIF file | Formula: - C18 H28 Cl N3 O5 S - Comments: Agata Semeniuk; Justyna Kalinowska-Tluscik; Wojciech Nitek; Barbara J. Oleksyn Intermolecular Interactions in Crystalline Hydroxychloroquine Sulfate in Comparison with Those in Selected Antimalarial Drugs Journal of Chemical Crystallography 38 (2008) 333-338 Space group: P 1 21/c 1 Cell volume: 1982.9 Cell parameters: 10.4966; 8.8056; 21.8603; 90; 101.074; 90; |
COD ID: 1570234 | |
CIF file | Formula: - C24 H48 Cl4 N8 O4 S8 Sn2 - Comments: Babacar Mbaye; Mouhamadou Birame Diop; Mouhamadou Sembene Boye; Thierry Maris; Aminata Diasse-Sarr; Libasse Diop Crystal Structure of Tetrakis(dimethyl N-cyanodithioiminocarbonate) Bis[(aqua)mu2-hydroxy-n-butyldichloridotin(IV)] Journal of Chemical Crystallography 53 (2023) 547-554 Space group: P -1 Cell volume: 1147.9 Cell parameters: 9.8208; 11.2664; 12.0446; 106.236; 111.51; 97.71; |
COD ID: 5000082 | |
CIF file | Formula: - C21 H34 O5 - Comments: Ribár, B.; Vladimirov, S.; Živanov-Stakić, D.; Strumpel, M. Crystal structure of tetrahydrocortisol Journal of Chemical Crystallography 25(8) (1995) 499-503 Space group: P 21 21 21 Cell volume: 1864.41 Cell parameters: 7.696; 10.227; 23.688; 90; 90; 90; |
COD ID: 6000211 | |
CIF file | Formula: - C23 H29 F O6 - Comments: Valente, E. J.; Zubkowski, J. D.; Lee, K. S.; Driessen, R. A. J.; Goubitz, K.; Numan, M.; Schenk, H.; Lee, H. J.; Ko, D. H. 9α-fluoro-11β,17α,21-trihydroxy-1,4-pregnadiene-3,20-dione-21-acetate (9-fluoroprednisolone-21-acetate) Journal of Chemical Crystallography 27(4) (1997) 219-222 Space group: P 41 21 2 Cell volume: 4198.37 Cell parameters: 9.214; 9.214; 49.452; 90; 90; 90; |
COD ID: 6000268 | |
CIF file | Formula: - C3 H14 N O10 P3 Zn2 - Comments: Hajem, A. A.; Trojette, B.; Driss, A.; Jouini, T. Synthesis and structure determination of a new layered zincophosphate: [H~2~N~2~C~6~H~16~](0.5)[Zn~2~(PO~4~)(HPO~4~)(H~2~O)].H~2~O Journal of Chemical Crystallography 29(2) (1999) 217-221 Space group: P -1 Cell volume: 586.72 Cell parameters: 8.822; 9.236; 8.451; 67.19; 91.32; 111.1; |
COD ID: 9017907 | |
CIF file | Formula: - C19 O8 - Comments: Lisgarte, J. N.; Potter, B.; Palmer, R. A.; Chimanuka, B.; Aymami, J. Structure, absolute configuration, and conformation of the antimalarial drug artesunate Journal of Chemical Crystallography 32 (2002) 43-48 Space group: P 21 21 21 Cell volume: 1940.77 Cell parameters: 9.837; 10.517; 18.7594; 90; 90; 90; |
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