Crystallography Open Database

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1101142 CIFF2 Li5 O8 P2 VP 1 21/c 16.3589; 10.7795; 10.3836
90; 90.019; 90
711.75Yin, S.-C.; Herle, P. Subramanya; Higgins, A.; Taylor, N. J.; Makimura, Y.; Nazar, L. F.
Dimensional Reduction: Synthesis and Structure of Layered Li~5~M(PO~4~)~2~F~2~ (M = V, Cr)
Chemistry of Materials, 2006, 18, 1745-1752
1101224 CIFMo3 Na2 O16 Te3I 1 2 17.3373; 11.2668; 8.2369
90; 97.387; 90
675.3Chi, Eun Ok; Ok, Kang Min; Porter, Yetta; Halasyamani, P. Shiv
Na~2~Te~3~Mo~3~O~16~: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties
Chemistry of Materials, 2006, 18, 2070-2074
4000670 CIFBa3 Dy2 P4 S16P b c n19.112; 10.2646; 12.602
90; 90; 90
2472.2Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder
Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)
Chem. Mater., 2006, 18, 187-197
4000671 CIFBa3 Er2 P4 S16P b c n19.078; 10.2413; 12.5682
90; 90; 90
2455.6Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder
Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)
Chem. Mater., 2006, 18, 187-197
4000672 CIFBa3 Gd2 P4 S16P b c n19.127; 10.2795; 12.648
90; 90; 90
2486.8Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder
Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)
Chem. Mater., 2006, 18, 187-197
4000673 CIFBa3 Ho2 P4 S16P b c n19.088; 10.2481; 12.565
90; 90; 90
2457.9Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder
Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)
Chem. Mater., 2006, 18, 187-197
4000674 CIFBa3 P4 S16 Tb2P b c n19.113; 10.261; 12.616
90; 90; 90
2474.2Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder
Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)
Chem. Mater., 2006, 18, 187-197
4000675 CIFC42 H30P 1 21/n 112.981; 10.09; 22.939
90; 91.3; 90
3003.7Roswitha Zeis; Celine Besnard; Theo Siegrist; Carl Schlockermann; Xiaoliu Chi; Christian Kloc
Field Effect Studies on Rubrene and Impurities of Rubrene
Chem. Mater., 2006, 18, 244-248
4000676 CIFC42 H26P -110.315; 12.055; 12.583
92.83; 84.46; 116.99
1387.7Roswitha Zeis; Celine Besnard; Theo Siegrist; Carl Schlockermann; Xiaoliu Chi; Christian Kloc
Field Effect Studies on Rubrene and Impurities of Rubrene
Chem. Mater., 2006, 18, 244-248
4000677 CIFC32 H32 N12 O19.9 Zn5P 1 21/n 110.192; 17.764; 24.437
90; 91.19; 90
4423.3Hyunsoo Park; David M. Moureau; John B. Parise
Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks
Chem. Mater., 2006, 18, 525-531
4000678 CIFC14 H11 N9 O6 Zn2P -17.797; 10.047; 13.577
110.18; 105.46; 93.9
947Hyunsoo Park; David M. Moureau; John B. Parise
Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks
Chem. Mater., 2006, 18, 525-531
4000679 CIFC24 H16 N12 O24 Zn4P 1 21/n 113.475; 26.949; 13.509
90; 95.18; 90
4885.7Hyunsoo Park; David M. Moureau; John B. Parise
Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks
Chem. Mater., 2006, 18, 525-531
4000680 CIFEu In2 P2P 63/m m c4.0829; 4.0829; 17.595
90; 90; 120
254.02Jiong Jiang; Susan M. Kauzlarich
Colossal Magnetoresistance in a Rare Earth Zintl Compound with a New Structure Type: EuIn2P2
Chem. Mater., 2006, 18, 435-441
4000681 CIFC39 H42 O6P n m a7.3474; 28.7742; 15.6631
90; 90; 90
3311.42Hemali P. Rathnayake; Ali Cirpan; Paul M. Lahti; Frank E. Karasz
Optimizing LED Properties of 2,7-Bis(phenylethenyl)fluorenes
Chem. Mater., 2006, 18, 560-566
4000682 CIFB H11 Mn4.5 N2 O21 P5C 1 2/c 132.603; 10.617; 10.718
90; 108.26; 90
3523.2Miao Yang; Jihong Yu; Lei Shi; Peng Chen; Guanghua Li; Yan Chen; Ruren Xu; Song Gao
Synthesis, Structure, and Magnetic Property of a New Open-Framework Manganese Borophosphate, [NH4]4[Mn9B2(OH)2(HPO4)4(PO4)6]
Chem. Mater., 2006, 18, 476-481
4001474 CIFSb5 Zn5.92R -3 c :H12.2392; 12.2392; 12.4357
90; 90; 120
1613.27Mozharivskyj, Yurij; Janssen, Yuri; Harringa, Joel L.; Kracher, Alfred; Tsokol, Alexandra O.; Miller, Gordon J.
Zn13Sb10: A Structural and Landau Theoretical Analysis of Its Phase Transitions
Chemistry of Materials, 2006, 18, 822
4001475 CIFSb5 Zn6.03C 1 2/c 110.8779; 12.2252; 8.1847
90; 100.044; 90
1071.8Mozharivskyj, Yurij; Janssen, Yuri; Harringa, Joel L.; Kracher, Alfred; Tsokol, Alexandra O.; Miller, Gordon J.
Zn13Sb10: A Structural and Landau Theoretical Analysis of Its Phase Transitions
Chemistry of Materials, 2006, 18, 822
4001476 CIFB H6 O10 P2 ScP 65 2 29.5354; 9.5354; 15.7676
90; 90; 120
1241.58Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger
Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O
Chemistry of Materials, 2006, 18, 673
4001477 CIFB H6 O11 P2 ScP 65 2 29.5752; 9.5752; 15.8145
90; 90; 120
1255.69Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger
Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O
Chemistry of Materials, 2006, 18, 673
4001478 CIFB H6 O11 P2 ScP 65 2 29.5739; 9.5739; 15.8069
90; 90; 120
1254.74Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger
Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O
Chemistry of Materials, 2006, 18, 673
4001479 CIFC9 H16 F6 N2 O4 S2P 1 21/n 113.099; 14.454; 16.987
90; 97.546; 90
3188.3Henderson, Wesley A.; Young, Jr., Victor G.; Passerini, Stefano; Trulove, Paul C.; De Long, Hugh C.
Plastic Phase Transitions inN-Ethyl-N-methylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
Chemistry of Materials, 2006, 18, 934-938
4001480 CIFC9 H16 F6 N2 O4 S2P -18.5425; 9.6978; 11.2219
88.487; 73.119; 68.294
823.1Henderson, Wesley A.; Young, Jr., Victor G.; Passerini, Stefano; Trulove, Paul C.; De Long, Hugh C.
Plastic Phase Transitions inN-Ethyl-N-methylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
Chemistry of Materials, 2006, 18, 934-938
4001481 CIFCo In0.05 Sb3I m -39.05294; 9.05294; 9.05294
90; 90; 90
741.94He, Tao; Chen, Jiazhong; Rosenfeld, H. David; Subramanian, M. A.
Thermoelectric Properties of Indium-Filled Skutterudites
Chemistry of Materials, 2006, 18, 759
4001482 CIFC28 H33 Br OP 1 21/n 18.6232; 9.2261; 28.4554
90; 95.988; 90
2251.52Ma, Dongling; Guan, Jingwen; Dénommée, Stéphane; Enright, Gary; Veres, Teodor; Simard, Benoit
Multifunctional Nano-Architecture for Biomedical Applications
Chemistry of Materials, 2006, 18, 1920
4001483 CIFC6 H19.5 Al N2 O9.25 P2C 1 2/m 118.859; 6.915; 11.256
90; 90.54; 90
1467.8Serre, Christian; Groves, John A.; Lightfoot, Philip; Slawin, Alexandra M. Z.; Wright, Paul A.; Stock, Norbert; Bein, Thomas; Haouas, Mohamed; Taulelle, Francis; Férey, Gérard
Synthesis, Structure and Properties of Related MicroporousN,N‘-Piperazinebismethylenephosphonates of Aluminum and Titanium
Chemistry of Materials, 2006, 18, 1451
4001484 CIFC38 H22 Cr I4 N6 S16P -19.8645; 10.3255; 13.7712
87.905; 75.981; 80.712
1343.05Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène
Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties
Chemistry of Materials, 2006, 18, 790
4001485 CIFC38 H22 Cr I4 N6 S12 Se4P -19.9829; 10.4011; 13.7363
88.374; 75.559; 80.95
1363.94Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène
Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties
Chemistry of Materials, 2006, 18, 790
4001486 CIFC38 H22 Ga I4 N6 S16P -19.8769; 10.3545; 13.7442
87.8389; 76.1174; 80.4897
1345.81Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène
Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties
Chemistry of Materials, 2006, 18, 790
4001487 CIFC38 H22 Cr I4 N6 S16P -110.676; 11.3; 11.393
101.256; 96.755; 97.342
1322.51Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène
Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties
Chemistry of Materials, 2006, 18, 790
4001488 CIFC38 H22 Cr I4 N6 S12 Se4P -110.7248; 11.3782; 11.4166
100.975; 96.905; 98.813
1335.41Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène
Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties
Chemistry of Materials, 2006, 18, 790
4001489 CIFC38 H22 Ga I4 N6 S16P -110.673; 11.333; 11.401
101.22; 96.719; 97.577
1326.35Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène
Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties
Chemistry of Materials, 2006, 18, 790
4001490 CIFC38 H22 Ga I4 N6 S12 Se4P -110.719; 11.41; 11.433
100.894; 97.014; 99.116
1338.98Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène
Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties
Chemistry of Materials, 2006, 18, 790
4001491 CIFCd Cl S2 SbP n m a9.585; 3.991; 12.443
90; 90; 90
475.99Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.
Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)
Chemistry of Materials, 2006, 18, 1219
4001492 CIFBr Cd S2 SbC 1 2/m 112.938; 3.931; 9.661
90; 91.11; 90
491.26Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.
Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)
Chemistry of Materials, 2006, 18, 1219
4001493 CIFBi Cd Cl S2P n m a9.541; 3.97; 12.545
90; 90; 90
475.18Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.
Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)
Chemistry of Materials, 2006, 18, 1219
4001494 CIFBi Br Cd S2C 1 2/m 112.977; 4.012; 9.584
90; 91.07; 90
498.89Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.
Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)
Chemistry of Materials, 2006, 18, 1219
4001495 CIFBi Br Cd Se2P n m a10.025; 4.119; 13.143
90; 90; 90
542.7Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.
Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)
Chemistry of Materials, 2006, 18, 1219
4001496 CIFBi Cd I Se2C 1 2/m 113.659; 4.192; 10.193
90; 90.88; 90
583.6Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.
Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)
Chemistry of Materials, 2006, 18, 1219
4001497 CIFLa7.13 S24 Sb8.87P 1 21/c 18.7115; 14.345; 15.2657
90; 90.105; 90
1907.7Assoud, Abdeljalil; Kleinke, Katja M.; Kleinke, Holger
Synthesis, Structure, and Electronic Structure of the Ternary Sulfide La7Sb9S24
Chemistry of Materials, 2006, 18, 1041
4001498 CIFLa6.7 S24 Sb9.3P 1 21/c 18.6829; 14.3334; 15.2691
90; 90.077; 90
1900.32Assoud, Abdeljalil; Kleinke, Katja M.; Kleinke, Holger
Synthesis, Structure, and Electronic Structure of the Ternary Sulfide La7Sb9S24
Chemistry of Materials, 2006, 18, 1041
4001499 CIFAl4 H6 O18 P6P 63/m7.8762; 7.8762; 7.1237
90; 90; 120
382.71Li, Niu; Ma, Yanfeng; Xiang, Shouhe; Guan, Naijia
Capturing an Aluminophosphite Intermediate in the New Route of Synthesizing Zeolite-like Aluminophosphates
Chemistry of Materials, 2006, 18, 975
4001500 CIFC6 H9 N11P 1 21/c 110.608; 11.462; 9.1332
90; 112.36; 90
1027Lotsch, Bettina V.; Schnick, Wolfgang
From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials
Chemistry of Materials, 2006, 18, 1891
4001501 CIFC9 H22 N18 O2P 21 21 217.6212; 13.336; 18.566
90; 90; 90
1887Lotsch, Bettina V.; Schnick, Wolfgang
From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials
Chemistry of Materials, 2006, 18, 1891
4001502 CIFC12 H19.8 N21 O2.4P -110.295; 11.203; 11.207
104.22; 112.74; 104.62
1064.8Lotsch, Bettina V.; Schnick, Wolfgang
From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials
Chemistry of Materials, 2006, 18, 1891
4001503 CIFH K0.75 Na0.25 Np O6.5 SC 1 2/c 118.0998; 5.703; 23.1988
90; 104.633; 90
2317Forbes, Tori Z.; Burns, Peter. C.; Soderholm, L.; Skanthakumar, S.
Crystal Structures and Magnetic Properties of NaK3(NpO2)4(SO4)4(H2O)2and NaNpO2SO4H2O: Cation−Cation Interactions in a Neptunyl Sulfate Framework
Chemistry of Materials, 2006, 18, 1643
4001504 CIFH1.6 Na0.8 Np0.8 O5.6 S0.8C 1 2/c 118.3638; 5.6424; 23.5512
90; 103.366; 90
2374.2Forbes, Tori Z.; Burns, Peter. C.; Soderholm, L.; Skanthakumar, S.
Crystal Structures and Magnetic Properties of NaK3(NpO2)4(SO4)4(H2O)2and NaNpO2SO4H2O: Cation−Cation Interactions in a Neptunyl Sulfate Framework
Chemistry of Materials, 2006, 18, 1643
4001505 CIFC20 H21 F2 In3 N4 O16 P4P -18.8932; 9.0338; 10.6253
72.445; 75.252; 74.819
771.04Chen, Chao; Liu, Yunling; Wang, Shuhua; Li, Guanghua; Bi, Minghui; Yi, Zhuo; Pang, Wenqin
Hydrothermal Syntheses, Structural Characterizations, and Photoluminescence Properties of Three Fluorinated Indium Phosphates with Bipyridyl Ligands: In3F2(2,2‘-bipy)2(HPO4)2(H1.5PO4)2, In2F2(H2O)(2,2‘-bipy)(HPO4)2, and In2F2(H2O)(2,2‘-bipy-5-amine)(HPO4)2
Chemistry of Materials, 2006, 18, 2950
4001506 CIFC10 H12 F2 In2 N2 O9 P2P -17.8843; 10.321; 11.395
107.139; 105.101; 99.328
826.3Chen, Chao; Liu, Yunling; Wang, Shuhua; Li, Guanghua; Bi, Minghui; Yi, Zhuo; Pang, Wenqin
Hydrothermal Syntheses, Structural Characterizations, and Photoluminescence Properties of Three Fluorinated Indium Phosphates with Bipyridyl Ligands: In3F2(2,2‘-bipy)2(HPO4)2(H1.5PO4)2, In2F2(H2O)(2,2‘-bipy)(HPO4)2, and In2F2(H2O)(2,2‘-bipy-5-amine)(HPO4)2
Chemistry of Materials, 2006, 18, 2950
4001507 CIFC10 H13 F2 In2 N3 O9 P2P -17.899; 10.405; 11.387
108.01; 104.52; 99.36
831.8Chen, Chao; Liu, Yunling; Wang, Shuhua; Li, Guanghua; Bi, Minghui; Yi, Zhuo; Pang, Wenqin
Hydrothermal Syntheses, Structural Characterizations, and Photoluminescence Properties of Three Fluorinated Indium Phosphates with Bipyridyl Ligands: In3F2(2,2‘-bipy)2(HPO4)2(H1.5PO4)2, In2F2(H2O)(2,2‘-bipy)(HPO4)2, and In2F2(H2O)(2,2‘-bipy-5-amine)(HPO4)2
Chemistry of Materials, 2006, 18, 2950
4001508 CIFBa1.938 Bi0.375 Nb5 O15P 4 b m12.4938; 12.4938; 3.9519
90; 90; 90
616.87Muktha, B.; Simon, A.; Darriet, J.; Guru Row, T. N.
Crystal Chemistry of a New Solid Solution in the BaO−Bi2O3−Nb2O5System: Ba5x/2Bi(1-x)5/3Nb5O15
Chemistry of Materials, 2006, 18, 1240

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