Crystallography Open Database

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7204524 CIFC20 H17 N3 O2 SP 1 21/a 112.524; 11.088; 12.935
90; 99.75; 90
1770.3Butler, Richard N.; Smyth, Georgina M.; McArdle, Patrick; Cunningham, Desmond
A new tricyclic ring and a nitrogen???sulfur analogue of the tri-pentagon bowl: cycloaddition reactions of the unstablised 1,3,4-thiadiazolium-3-methanide 1,3-dipole: steric influences on the endo-effect: substituted pyrrolo[2,1-b]-1,3,4-thiadiazole systems: azolium 1,3-dipoles
Journal of the Chemical Society, Perkin Transactions 1, 2002, 2851
7204545 CIFC5 H7 Ag O2P 1 21/a 15.965; 8.956; 10.292
90; 91.51; 90
549.63Edwards, Dennis A.; Mahon, Mary F.; Molloy, Kieran C.; Ogrodnik, Virginie
Aerosol-assisted chemical vapour deposition of silver films from adducts of functionalised silver carboxylates
Journal of Materials Chemistry, 2003, 13, 563
7204582 CIFC17 H20 N3 O2P 1 21/a 112.284; 12.657; 10.953
90; 111.72; 90
1582.1Jotaro Nakazaki; InGwon Chung; Michio M. Matsushita; Tadashi Sugawara; Ryoji Watanabe; Akira Izuoka; Yuzo Kawada
Design and preparation of pyrrole-based spin-polarized donors
J. Mater. Chem., 2003, 13, 1011-1022
7204658 CIFH12 Mn3 N2 O16 P4P 1 21/a 19.461; 8.3565; 9.477
90; 99.908; 90
738.08Chippindale, Ann M.; Gaslain, Fabrice O. M.; Bond, Andrew D.; Powell, Anthony V.
Synthesis, structure and magnetic characterisation of a new layered ammonium manganese(ii) diphosphate hydrate, (NH4)2[Mn3(P2O7)2(H2O)2]Electronic supplementary information (ESI) available: powder XRD data, atomic coordinates and thermal parameters, IR data, bond valence calculations, TGA. See http://www.rsc.org/suppdata/jm/b3/b304003h/
Journal of Materials Chemistry, 2003, 13, 1950
7204765 CIFC32 H24 N2 O4 S6P 1 21/a 111.679; 7.704; 16.835
90; 93.35; 90
1512.1Bruno Jousselme; Philippe Blanchard; Maïtena Oçafrain; Magali Allain; Eric Levillain; Jean Roncali
Electrogenerated poly(thiophenes) derivatized by bipyridine ligands and metal complexes
J. Mater. Chem., 2004, 14, 421-427
7204923 CIFC52 H36 As F6 N4 O S18P 1 21/a 127.99; 7.946; 13.357
90; 103.415; 90
2889.7Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro
Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]
Journal of Materials Chemistry, 2000, 10, 2716
7204925 CIFC52 H36 B F4 N4 O S18P 1 21/a 127.78; 7.826; 13.346
90; 101.99; 90
2838.2Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro
Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]
Journal of Materials Chemistry, 2000, 10, 2716
7204926 CIFC52 H34 F6 N4 O P S18P 1 21/a 127.866; 7.926; 13.3035
90; 103.59; 90
2856Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro
Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]
Journal of Materials Chemistry, 2000, 10, 2716
7204927 CIFC51 H34 F6 N4 O2 P S18P 1 21/a 127.879; 7.954; 13.337
90; 103.61; 90
2874Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro
Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]
Journal of Materials Chemistry, 2000, 10, 2716
7204928 CIFC52 H36 F6 N4 O P S18P 1 21/a 127.665; 7.781; 13.3065
90; 103.709; 90
2782.8Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro
Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]
Journal of Materials Chemistry, 2000, 10, 2716
7204929 CIFC52 H34 F6 N4 O P S18P 1 21/a 127.972; 7.934; 13.366
90; 102.931; 90
2891.1Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro
Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]
Journal of Materials Chemistry, 2000, 10, 2716
7204930 CIFC52 H36 As F6 N4 O S18P 1 21/a 127.712; 7.787; 13.3297
90; 103.888; 90
2792.4Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro
Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]
Journal of Materials Chemistry, 2000, 10, 2716
7204948 CIFH4 O14 P2 Pb2 V2P 1 21/a 110.0083; 10.14; 10.569
90; 93.89; 90
1070.1Leclaire, Andre; Chardon, Josiane; Raveau, Bernard
Hydrothermal synthesis and crystal structure of a lead vanadium monophosphate hydrate with an open structure: Pb2V2O4(PO4)2·2H2O
Journal of Materials Chemistry, 2001, 11, 1482
7205003 CIFC18 H22 O7P 1 21/a 111.628; 11.417; 14.112
90; 101.4; 90
1837Al-Busafi, Saleh; Doncaster, Jeremy R.; Drew, Michael G. B.; Regan, Andrew C.; Whitehead, Roger C.
Exploitation of chemical predisposition in synthesis: an approach to the manzamenones
Journal of the Chemical Society, Perkin Transactions 1, 2002, 476
7205599 CIFC36 H32 Cl2 N4 O8 S8 ZnP 1 21/a 19.982; 14.264; 14.747
90; 101.191; 90
2059.8Zhu, Qin-Yu; Yu, Lei; Qin, Yu-Rong; Huo, Li-Bin; Shao, Ming-Yan; Dai, Jie
Anion-dependent crystallization of zinc complexes with the ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene) fluorene: Structures and spectroscopic properties
CrystEngComm, 2011, 13, 2521
7206388 CIFC36 H50 N6 O2P 1 21/a 18.248; 23.4817; 9.0521
90; 94.551; 90
1747.66Kim, Byung-Soon; Jindo, Takumi; Eto, Ryohei; Shinohara, Yohei; Son, Young-A; Kim, Sung-Hoon; Matsumoto, Shinya
Effects of alkoxy substitution on the crystal structure of 2,3-bis[(E)-4-(diethylamino)-2-alkoxybenzylideneamino]fumaronitrile derivatives
CrystEngComm, 2011, 13, 5374
7206786 CIFC16 H22 Br2 Cl6 N4 O4P 1 21/a 118.0736; 6.149; 23.5057
90; 97.344; 90
2590.87Raatikainen, Kari; Rissanen, Kari
Interaction between amines and N-haloimides: a new motif for unprecedentedly short Br⋯N and I⋯N halogen bonds
CrystEngComm, 2011, 13, 6972
7207237 CIFC10 H10 Cu2 N6 O6P 1 21/a 114.897; 5.819; 17.441
90; 107.581; 90
1441.3Maekawa, Masahiko; Tominaga, Toshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu
Framework dimensionality of copper(i) coordination polymers of 4,4′-bipyrimidine controlled by anions and solvents
CrystEngComm, 2012, 14, 1345
7207744 CIFC108 H180 Ag3 Cl3 Fe3 N9 O68 P18P 1 21/a 120.403; 26.51; 30.721
90; 99.49; 90
16389Maxim, Catalin; Branzea, Diana; Allain, Magali; Andruh, Marius; Clérac, Rodolphe; Iorga, Bogdan I.; Avarvari, Narcis
Cyanomethylene-bis(phosphonate) as ditopical ligand: stepwise formation of a 2-D heterometallic Fe(iii)‒Ag(i) coordination network
CrystEngComm, 2012, 14, 3096
7207981 CIFC14 H11 O8 S4P 1 21/a 111.4823; 13.8691; 11.8073
90; 113.293; 90
1727.04Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi
Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals
CrystEngComm, 2012, 14, 3875
7207983 CIFC60 H41 O12 S32P 1 21/a 112.084; 20.891; 15.674
90; 103.294; 90
3850.8Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi
Hydrogen-bonded maleate counter anions in tetrathiafulvalene crystals
CrystEngComm, 2012, 14, 3875
7208147 CIFC26 H23 N4 OP 1 21/a 17.3261; 29.785; 9.8773
90; 109.281; 90
2034.41Borozdina, Yulia B.; Kamm, Valentin; Laquai, Frédéric; Baumgarten, Martin
Tuning the sensitivity of fluorophore‒nitroxide radicals
Journal of Materials Chemistry, 2012, 22, 13260
7208148 CIFC26 H23 N4 O2P 1 21/a 17.4598; 29.3972; 10.0132
90; 109.821; 90
2065.78Borozdina, Yulia B.; Kamm, Valentin; Laquai, Frédéric; Baumgarten, Martin
Tuning the sensitivity of fluorophore‒nitroxide radicals
Journal of Materials Chemistry, 2012, 22, 13260
7208579 CIFC23 H28 Cl N3 O3 SP 1 21/a 18.964; 30.082; 9.428
90; 115.94; 90
2286Bruni, Giovanna; Maietta, Mariarosa; Maggi, Lauretta; Bini, Marcella; Capsoni, Doretta; Ferrari, Stefania; Boiocchi, Massimo; Berbenni, Vittorio; Milanese, Chiara; Marini, Amedeo
Perphenazine‒fumaric acid salts with improved solubility: preparation, physico-chemical characterization and in vitro dissolution
CrystEngComm, 2012, 14, 6035
7208836 CIFC20 H16 N2 O4 S6P 1 21/a 117.14; 7.7891; 17.338
90; 102.363; 90
2261Huo, Peng; Wang, Jin-Po; Shao, Ming-Yan; Sun, Yong-Gang; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie
A redox active proton transfer and hydrogen-bonding system of tetrathiafulvalene-dicarboxylic acid and pyridine bases.
Physical chemistry chemical physics : PCCP, 2012, 14, 16229-16235
7208987 CIFC42 H42 Gd2 O24P 1 21/a 19.9474; 15.6416; 28.7511
90; 95.117; 90
4455.65Luo, Yun; Zheng, Yanjun; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Daiguebonne, Carole; Roisnel, Thierry; Guillou, Olivier
Synthesis, crystal structure and luminescent properties of new lanthanide-containing coordination polymers involving 4,4′-oxy-bis-benzoate as ligand
CrystEngComm, 2013, 15, 706
7211240 CIFC10 H9 Bi Br4 N2 OP 1 21/a 18.4049; 21.2014; 9.3965
90; 107.241; 90
1599.2Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara
Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks
CrystEngComm, 2013, 15, 8565
7212208 CIFC19 H23 Cl2 OP 1 21/a 110.861; 17.249; 18.531
90; 96.916; 90
3446.4Takahashi, Hiroki; Ito, Yoshikatsu
Low-temperature-induced reversible single-crystal-to-single-crystal phase transition of 3,4-dichloro-2′,4′,6′-triethylbenzophenone
CrystEngComm, 2010, 12, 1628
7212400 CIFC43 H34 N4P 1 21/a 116.5817; 11.9938; 17.3483
90; 100.137; 90
3396.33Nakano, Hideyuki; Seki, Shu; Kageyama, Hiroshi
Photoinduced vitrification near the surfaces of single crystals of azobenzene-based molecular materials with glass-forming ability.
Physical chemistry chemical physics : PCCP, 2010, 12, 7772-7774
7212401 CIFC42 H34 N4 O2P 1 21/a 116.5256; 12.1737; 17.4298
90; 100.75; 90
3444.95Nakano, Hideyuki; Seki, Shu; Kageyama, Hiroshi
Photoinduced vitrification near the surfaces of single crystals of azobenzene-based molecular materials with glass-forming ability.
Physical chemistry chemical physics : PCCP, 2010, 12, 7772-7774
7212497 CIFC11 H7 N S4P 1 21/a 111.767; 8.302; 12.991
90; 111.53; 90
1180.5Riobé, François; Avarvari, Narcis; Grosshans, Philippe; Sidorenkova, Helena; Berclaz, Théo; Geoffroy, Michel
Bis(tetrathiafulvalenes) with aromatic bridges: electron delocalization in the oxidized species through EPR and theoretical studies.
Physical chemistry chemical physics : PCCP, 2010, 12, 9650-9660
7212681 CIFC3 H7 N O2 SP 1 21/a 19.6352; 4.9435; 12.8853
90; 121.808; 90
521.57Minkov, Vasily S.; Tumanov, Nikolay A.; Cabrera, Raul Quesada; Boldyreva, Elena V.
Low temperature/high pressure polymorphism in dl-cysteine
CrystEngComm, 2010, 12, 2551
7212682 CIFC3 H7 N O2 SP 1 21/a 19.712; 4.9755; 13.107
90; 121.849; 90
538Minkov, Vasily S.; Tumanov, Nikolay A.; Cabrera, Raul Quesada; Boldyreva, Elena V.
Low temperature/high pressure polymorphism in dl-cysteine
CrystEngComm, 2010, 12, 2551
7213015 CIFC13 H13 N3 O2P 1 21/a 112.022; 8.616; 13.244
90; 114.22; 90
1251.1Devillers, Ingrid; de Wergifosse, Bertrand; Bruneau, Marie-Pierre; Tinant, Bernard; Declercq, Jean-Paul; Touillaux, Roland; Rees, Jean-François; Marchand-Brynaert, Jacqueline
Synthesis, structural characterization and antioxidative properties of aminopyrazine and imidazolopyrazine derivatives
Journal of the Chemical Society, Perkin Transactions 2, 1999, 1481
7213087 CIFC25 H23 BrP 1 21/a 118.639; 10.296; 9.869
90; 96.77; 90
1880.7Isobe, Shin-ichiro; Taniguchi, Masahiko; Sawada, Tsuyoshi; Thiemann, Thies; Yonemitsu, Tadashi; Mataka, Shuntaro
Novel rearrangement of conformationally restrained [3.3]orthocyclophanes
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2101
7213088 CIFC25 H23 BrP 1 21/a 19.376; 23.622; 9.288
90; 112.03; 90
1906.9Isobe, Shin-ichiro; Taniguchi, Masahiko; Sawada, Tsuyoshi; Thiemann, Thies; Yonemitsu, Tadashi; Mataka, Shuntaro
Novel rearrangement of conformationally restrained [3.3]orthocyclophanes
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2101
7213108 CIFC32 H30 S8P 1 21/a 113.684; 5.827; 20.132
90; 91.76; 90
1604.5Antolini, Luciano; Borsari, Marco; Goldoni, Francesca; Iarossi, Dario; Mucci, Adele; Schenetti, Luisa
Synthesis, structural characterization and electronic properties of 3,3″″′-bis(butylsulfanyl)-2,2′∶5′,2″∶5″,2‴∶5‴,2″″∶5″″,2‴″-sexithiophene
Journal of the Chemical Society, Perkin Transactions 1, 1999, 3207
7213127 CIFC27 H42 O4 S SiP 1 21/a 115.048; 11.327; 16.988
90; 97.02; 90
2873.9Fujishima, Hiroshi; Takeshita, Hiroshi; Suzuki, Shuichi; Toyota, Masahiro; Ihara, Masataka
Hexamethyldisilazanes mediated one-pot intramolecular Michael addition‒olefination reactions leading to exo-olefinated bicyclo[6.4.0]dodecanes
Journal of the Chemical Society, Perkin Transactions 1, 1999, 2609
7213142 CIFC8 H14 N8 O4P 1 21/a 17.265; 12.408; 14.529
90; 96.35; 90
1301.7Bethel, Paul A.; Hill, Michael S.; Mahon, Mary F.; Molloy, Kieran C.
Reactions of organotin tetrazoles: synthesis of functionalised poly-tetrazoles
Journal of the Chemical Society, Perkin Transactions 1, 1999, 3507
7213157 CIFC24 H32 N4 O3P 1 21/a 113.465; 12.608; 14.504
90; 116.85; 90
2196.8Bellouard, Frédéric; Chuburu, Françoise; Kervarec, Nelly; Toupet, Loïc; Triki, Smaïl; Le Mest, Yves; Handel, Henri
cis-Diprotected cyclams and cyclens: a new route to symmetrically or asymmetrically 1,4-disubstituted tetraazamacrocycles and to asymmetrically tetrasubstituted derivatives
Journal of the Chemical Society, Perkin Transactions 1, 1999, 3499
7213207 CIFC14.5 H14 Cl N3 O4P 1 21/a 19.5471; 14.619; 11.4954
90; 97.993; 90
1588.82Murashima, Takashi; Tamai, Ryuji; Nishi, Keiji; Nomura, Kentaroh; Fujita, Ken-ichi; Uno, Hidemitsu; Ono, Noboru
Synthesis and X-ray structure of stable 2H-isoindoles
Journal of the Chemical Society, Perkin Transactions 1, 2000, 995
7213282 CIFC10 H12 O2P 1 21/a 16.517; 18.98; 6.754
90; 107.16; 90
798.2Eckert-Maksić, Mirjana; Novak-Doumbouya, Nana; Kiralj, Rudolf; Kojić-Prodić, Biserka
7-Oxanorbornene cycloadducts. X-Ray, molecular orbital and photoelectron spectroscopic study †
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1483
7213288 CIFC8 Cl6 O2 S2P 1 21/a 17.341; 13.56; 7.471
90; 118.44; 90
653.9Skramstad, Jan; Lunde, Andreas; Hope, Håkon; Bjørnstad, Vidar; Frøyen, Paul
Chlorinated thiophenes. Part 2. Trihalogenated hydroxythiophenes; preparation, reactions and tautomeric properties
Journal of the Chemical Society, Perkin Transactions 2, 2000, 1453
7213393 CIFC14 H9 Cl2 N O2P 1 21/a 122.123; 7.04; 15.937
90; 92.8; 90
2479.2Mahato, Shashi B.; Garai, Subhadra; Weber, Manuela; Luger, Peter
A novel annelation to quinolines and isoquinolines under Friedel‒Crafts conditions: a one-step synthesis of functionalized pyridoquinolines and pyridoisoquinolines
Journal of the Chemical Society, Perkin Transactions 1, 2000, 2898
7213414 CIFC6 H15 O5 P SP 1 21/a 110.074; 8.357; 13.991
90; 108.46; 90
1117.3Olivato, Paulo R.; Filho, Rubens Ruiz; Zukerman-Schpector, Julio; Dal Colle, Maurizio; Distefano, Giuseppe
Comparative spectroscopic and theoretical studies on the conformation of some α-diethoxyphosphoryl carbonyl compounds and their α-ethylsulfonyl analogues 1
Journal of the Chemical Society, Perkin Transactions 2, 2001, 97
7213466 CIFC16 H17 N S2P 1 21/a 17.892; 15.17; 12.017
90; 99.496; 90
1419Moriguchi, Tetsuji; Sakata, Kazunori; Tsuge, Akihiko
Intra- and intermolecular interactions in substituted dithia[3.3]metacyclophanes
Journal of the Chemical Society, Perkin Transactions 2, 2001, 934
7213499 CIFC14 H15 N O8P 1 21/a 19.917; 11.62; 13.983
90; 107.4; 90
1537.6Frances Heaney; Julie Fenlon; Colm O'Mahony; Patrick McArdle; Desmond Cunningham
Nitrogen-containing heterocycles: 1,3-dipolar cycloaddition of stabilized nitrones with alkynes; primary cycloadducts, first and second generation rearrangement processes
Journal of the Chemical Society, Perkin Transactions 1, 2001, 3382-3392
7213539 CIFC19 H17 N O4P 1 21/a 18.117; 19.978; 19.981
90; 92.91; 90
3236Habata, Yoichi; Fukuda, Yoji; Akabori, Sadatoshi; Bradshaw, Jerald S.
Alkali metal ion selectivities of podands that form pseudo-cyclic structures by intramolecular hydrogen bonding
Journal of the Chemical Society, Perkin Transactions 1, 2002, 865
7214026 CIFC2 H5 N3 O3 P SP 1 21/a 16.2442; 13.1523; 8.5929
90; 96.82; 90
700.7Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.
Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties
CrystEngComm, 2014, 16, 1763
7214222 CIFC7 H12 Mn O5P 1 21/a 17.9692; 9.1132; 12.9102
90; 102.204; 90
916.41Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Vallejo, Julia; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina
Syntheses, crystal structures and magnetic properties of five new manganese(ii) complexes: influence of the conformation of different alkyl/aryl substituted malonate ligands on the crystal packing
CrystEngComm, 2014, 16, 2766

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