Crystallography Open Database
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Searching space group like 'I 4/m'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2106590 | CIF | Al1.1 Ba0.98 Ca0.03 Ni0.48 O16 Ti6.4 Zr0.02 | I 4/m | 10.039; 10.039; 2.943 90; 90; 90 | 296.6 | Sinclair, W.; McLaughlin, G.M.; Ringwood, A.E. The Structure and Chemistry of a Barium Titanate Hollandite-Type Phase Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2913-2918 |
| 2107632 | CIF HKL | C21 H27 Cl N2 | I 4/m | 20.275; 20.275; 5.0989 90; 90; 90 | 2096.03 | Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B, 2016, 72, 571-583 |
| 2107633 | CIF HKL | C21 H27 Cl N2 | I 4/m | 20.275; 20.275; 5.0989 90; 90; 90 | 2096.03 | Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B, 2016, 72, 571-583 |
| 2107634 | CIF HKL | C21 H27 Cl N2 | I 4/m | 19.924; 19.924; 5.088 90; 90; 90 | 2019.8 | Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B, 2016, 72, 571-583 |
| 2107635 | CIF HKL | C21 H27 Cl N2 | I 4/m | 19.924; 19.924; 5.088 90; 90; 90 | 2019.8 | Chodkiewicz, Michał Leszek; Makal, Anna; Gajda, Roman; Vidovic, Dragoslav; Woźniak, Krzysztof An insight into real and average structure from diffuse X-ray scattering ‒ a case study Acta Crystallographica Section B, 2016, 72, 571-583 |
| 2108654 | CIF | F30 Ga5 K15 | I 4/m | 13.6088; 13.6088; 8.6764 90; 90; 90 | 1606.86 | King, Graham New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~ Acta Crystallographica Section B, 2020, 76 |
| 2210809 | CIF HKL Paper | Cd3 Na O4 Rb | I 4/m | 8.957; 8.957; 3.6939 90; 90; 90 | 296.35 | Kerp, Oliver; Möller, Angela Rubidium sodotricadmate, Rb[NaCd~3~O~4~] Acta Crystallographica Section E, 2006, 62, i204-i206 |
| 2212911 | CIF HKL Paper | C44 H28 Cu N4 | I 4/m | 13.3747; 13.3747; 9.7348 90; 90; 90 | 1741.4 | He, Hong-Shan A second polymorph of (5,10,15,20-tetraphenylporphyrinato)copper(II) Acta Crystallographica Section E, 2007, 63, m976-m977 |
| 2222910 | CIF HKL Paper | C14 H19 N O3 | I 4/m | 19.938; 19.938; 7.0367 90; 90; 90 | 2797.3 | Gowda, B. Thimme; Foro, Sabine; Saraswathi, B. S.; Fuess, Hartmut Ethyl 3-[(3,5-dimethylphenyl)aminocarbonyl]propanoate Acta Crystallographica Section E, 2009, 65, o2039 |
| 2230980 | CIF HKL Paper | Ba11 Br34 La4 | I 4/m | 11.909; 11.909; 22.888 90; 90; 90 | 3246.1 | Eagleman, Yetta; Wu, Guang; Gundiah, Gautam; Bourret-Courchesne, Edith; Derenzo, Stephen Ba~11~La~4~Br~34~: a new barium lanthanum bromide Acta Crystallographica, Section E, 2011, 67, i53-i54 |
| 2239348 | CIF HKL Paper | Nb9 O25 V | I 4/m | 15.7726; 15.7726; 3.8399 90; 90; 90 | 955.27 | Nasri, Rawia; Chérif, Saïda Fatma; Zid, Mohamed Faouzi; Driss, Ahmed β-Nb9VO25 Acta Crystallographica Section E Structure Reports Online, 2014, 70, i20 |
| 2240460 | CIF HKL | C44 H28 Br4 Mg N4 O2 | I 4/m | 14.8313; 14.8313; 9.3966 90; 90; 90 | 2066.9 | Amiri, Nesrine; Nasri, Soumaya; Roisnel, Thierry; Simonneaux, Gérard; Nasri, Habib Crystal structure of diaqua[5,10,15,20-tetrakis(4-bromophenyl)porphyrinato-κ^4^<i>N</i>]magnesium Acta Crystallographica Section E, 2015, 71, m73-m74 |
| 2244183 | CIF HKL Paper | C36 H39 Cl3 N8 O2 | I 4/m | 17.305; 17.305; 26.04 90; 90; 90 | 7798 | van der Peet, Phillip L.; Joyce, Rohan D.; Ott, Holger; Marcuccio, Sebastian M.; White, Jonathan M.; Williams, Spencer J. Synthesis and structure of clozapine <i>N</i>-oxide hemi(hydrochloride): an infinite hydrogen-bonded poly[<i>n</i>]catenane Acta Crystallographica Section E, 2022, 78 |
| 2310297 | CIF | Ce5 Mg41 | I 4/m | 14.78; 14.78; 10.43 90; 90; 90 | 2278.42 | Johnson, Q.; Smith, G.S. The crystal structure of Ce5 Mg42 Acta Crystallographica (1,1948-23,1967), 1967, 22, 360-365 |
| 2310382 | CIF | Cu3 H12 N4 Na4 O12 S8 | I 4/m | 13.814; 13.814; 5.759 90; 90; 90 | 1098.97 | Ferrari, A.; Braibanti, A.; Tiripicchio, A. The crystal structure of tetrasodium tetramminecopper(II) di-catena-di-mue-thiosulphato-cuprate(I) Acta Crystallographica (1,1948-23,1967), 1966, 21, 605-610 |
| 2310397 | CIF | Te4 Ti5 | I 4/m | 10.164; 10.164; 3.772 90; 90; 90 | 389.674 | Gronvold, F.; Kjekshus, A.; Raaum, F. The crystal structure of Ti5 Te4 Acta Crystallographica (1,1948-23,1967), 1961, 14, 930-934 |
| 2310472 | CIF | Al K O8 Si3 | I 4/m | 9.38; 9.38; 2.74 90; 90; 90 | 241.077 | Ringwood, A.E.; Reid, A.F.; Wadsley, A.D. High pressure Al Si3 O8, an aluminosilicate with sixfold coordination Acta Crystallographica (1,1948-23,1967), 1967, 23, 1093-1095 |
| 2310960 | CIF | H1.98 Hf | I 4/m | 3.461; 3.461; 4.395 90; 90; 90 | 52.646 | Sidhu, S.S. The Effect on Metal-Metal Bonds of Increased Concentration of Hydrogen in Hafnium Dihydride Acta Crystallographica (1,1948-23,1967), 1954, 7, 447-449 |
| 2310961 | CIF | H2 Hf | I 4/m | 3.478; 3.478; 4.361 90; 90; 90 | 52.753 | Sidhu, S.S. The Effect on Metal-Metal Bonds of Increased Concentration of Hydrogen in Hafnium Dihydride Acta Crystallographica (1,1948-23,1967), 1954, 7, 447-449 |
| 2310998 | CIF | C2 H4.4 Ca O6.2 | I 4/m | 12.3; 12.3; 7.34 90; 90; 90 | 1110.47 | Sterling, C. Crystal structure analysis of weddellite, Ca C2 O4 * (2+x)H2 O Acta Crystallographica (1,1948-23,1967), 1965, 18, 917-921 |
| 2311065 | CIF | Al0.264 Ba0.47 Fe0.64 H1.414 K0.328 Mn6.952 Na0.11 O16 Pb0.112 Si0.016 | I 4/m | 9.8; 9.8; 2.86 90; 90; 90 | 274.674 | Bystroem, A.; Bystroem, A.M. The crystal structure of hollandite, the related manganese oxide minerals, and alpha-Mn O2 Acta Crystallographica (1,1948-23,1967), 1950, 3, 146-154 |
| 2312395 | CIF HKL Paper | C52 H40 F4 N4 Pt | I 4/m | 17.1883; 17.1883; 9.1123 90; 90; 90 | 2692.1 | Dash, Zane S.; Huang, Raymond Q.; Kimber, Ana N.; Olubajo, Opeyemi T.; Polk, Mark; Rancu, Oliver P.; Zhang, Lauren L.; Fu, Jane; Nagelj, Nejc; Reynolds, Kristopher G.; Zheng, Shao Liang; Dogutan, Dilek K. Oxygen quenching of structurally characterized [5,10,15,20-tetrakis(4-fluoro-2,6-dimethylphenyl)porphyrinato]platinum(II). Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
| 2312554 | CIF HKL Paper | C28 H20 Br5 N6 Sb | I 4/m | 23.8054; 23.8054; 7.3222 90; 90; 90 | 4149.5 | Qin, Qiaoqi; Liu, Jiamin; Luan, Xinyu; Xu, Jianqiao; Jiang, Long Crystal structure and Hirshfeld surface analysis of two iHOFs based on CH...NC hydrogen bonding. Acta crystallographica. Section C, Structural chemistry, 2024, 80 |
| 3500061 | CIF | F5 Ga Pb | I 4/m | 14.4782; 14.4782; 7.321 90; 90; 90 | 1534.62 | Armel Le Bail Rietveld refinement of the crystal structure of PbGaF5 in the BaTiF5 structure type, I4/m Personal communication to COD, 2016 |
| 4000724 | CIF | O3 Pb Ti | I 4/m | 12.3853; 12.3853; 3.82 90; 90; 90 | 585.971 | Wang, Jin; Schenk, Kurt; Carvalho, Alexandra; Eerd, Ben Wylie-van; Trodahl, Joe; Sandu, Cosmin S.; Bonin, Michel; Gregora, Ivan; He, Zhanbing; Yamada, Tomoaki; Funakubo, Hiroshi; Briddon, Patrick R.; Setter, Nava Structure Determination and Compositional Modification of Body-Centered Tetragonal PX-Phase Lead Titanate Chemistry of Materials, 2011, 23, 2529 |
| 4001241 | CIF | K0.07 Mn0.5 O W0 | I 4/m | 9.81605; 9.81605; 2.85489 90; 90; 90 | 275.082 | Calvert, Craig; Joesten, Raymond; Ngala, Katana; Villegas, Josanlet; Morey, Aimee; Shen, Xiongfei; Suib, Steven L. Synthesis, Characterization, and Rietveld Refinement of Tungsten-Framework-Doped Porous Manganese Oxide (K-OMS-2) Material Chemistry of Materials, 2008, 20, 6382 |
| 4001242 | CIF | K0.064 Mn0.494 O W0.006 | I 4/m | 9.80411; 9.80411; 2.85201 90; 90; 90 | 274.137 | Calvert, Craig; Joesten, Raymond; Ngala, Katana; Villegas, Josanlet; Morey, Aimee; Shen, Xiongfei; Suib, Steven L. Synthesis, Characterization, and Rietveld Refinement of Tungsten-Framework-Doped Porous Manganese Oxide (K-OMS-2) Material Chemistry of Materials, 2008, 20, 6382 |
| 4001892 | CIF | C192 H96 Cu12 N40 O60 | I 4/m | 34.6853; 34.6853; 50.6917 90; 90; 90 | 60986 | Barin, Gokhan; Krungleviciute, Vaiva; Gomez-Gualdron, Diego A.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K. Isoreticular Series of (3,24)-Connected Metal‒Organic Frameworks: Facile Synthesis and High Methane Uptake Properties Chemistry of Materials, 2014, 26, 1912 |
| 4002058 | CIF | Al2 Ca Mg2 N4 | I 4/m | 8.0655; 8.0655; 3.2857 90; 90; 90 | 213.74 | Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples Chemistry of Materials, 2014, 26, 6113 |
| 4002059 | CIF | Al2 Mg2 N4 Sr | I 4/m | 8.1008; 8.1008; 3.3269 90; 90; 90 | 218.32 | Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples Chemistry of Materials, 2014, 26, 6113 |
| 4002060 | CIF | Al2 Ba Mg2 N4 | I 4/m | 8.2602; 8.2602; 3.432 90; 90; 90 | 234.17 | Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples Chemistry of Materials, 2014, 26, 6113 |
| 4002061 | CIF | Al2 Eu Mg2 N4 | I 4/m | 8.1539; 8.1539; 3.343 90; 90; 90 | 222.26 | Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples Chemistry of Materials, 2014, 26, 6113 |
| 4002062 | CIF | Ba Ga2 Mg2 N4 | I 4/m | 8.3654; 8.3654; 3.4411 90; 90; 90 | 240.81 | Pust, Philipp; Hintze, Frauke; Hecht, Cora; Weiler, Volker; Locher, Andreas; Zitnanska, Daniela; Harm, Sascha; Wiechert, Detlef; Schmidt, Peter J.; Schnick, Wolfgang Group (III) NitridesM[Mg2Al2N4] (M= Ca, Sr, Ba, Eu) and Ba[Mg2Ga2N4]—Structural Relation and Nontypical Luminescence Properties of Eu2+Doped Samples Chemistry of Materials, 2014, 26, 6113 |
| 4002438 | CIF | O2 Si | I 4/m | 13.68; 13.68; 10.49 90; 90; 90 | 1963.12 | Wojdel, J.C.; Zwijnenburg, M.A.; Bromley, S.T. Magic silica clusters as nanoscale building units for super-(tris)tetrahedral materials Chemistry of Materials (1,1989-), 2006, 18, 1464-1469 |
| 4002686 | CIF | Al3.94 Ce0.03 Mg4.06 N8 Sr1.97 | I 4/m | 8.176483; 8.176483; 3.35754 90; 90; 90 | 224.468 | Leano, Julius; Lin, Shing-Ying; Mahlik, Sebastian; Grinberg, Marek; Liang, Chaolun; Zhou, Wuzong; Molokeev, Maxim; Atuchin, Victor; Tsai, Yi-Ting; Lin, Cun Che; Sheu, Hwo-Shuenn; Liu, Ru-Shi Green Light-excitable Ce-doped Nitridomagnesoaluminate Sr[Mg2Al2N4] Phosphor for White Light-emitting Diodes Chemistry of Materials, 2016, 28, 6822-6825 |
| 4003026 | CIF | Ba Be20 N14 | I 4/m | 6.54; 6.54; 12.214 90; 90; 90 | 522.4 | Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence Chemistry of Materials, 2019, 31, 3174 |
| 4003027 | CIF | Be20 Eu N14 | I 4/m | 6.5241; 6.5241; 12.1357 90; 90; 90 | 516.54 | Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence Chemistry of Materials, 2019, 31, 3174 |
| 4003028 | CIF | Be20 N14 Sr | I 4/m | 6.525; 6.525; 12.133 90; 90; 90 | 516.6 | Elzer, Eugenia; Niklaus, Robin; Strobel, Philipp J.; Weiler, Volker; Schmidt, Peter J.; Schnick, Wolfgang MBe20N14:Eu2+ (M = Sr, Ba): Highly Condensed Nitridoberyllates with Exceptional Highly Energetic Eu2+ Luminescence Chemistry of Materials, 2019, 31, 3174 |
| 4003052 | CIF | C11.75 H11.75 N11.75 O11.75 Zn11.75 | I 4/m | 13.3591; 13.3591; 42.446 90; 90; 90 | 7575.1 | Li, Lan; Yi, Jun-Dong; Fang, Zhi-Bin; Wang, Xu-Sheng; Liu, Nan; Chen, Ya-Nan; Liu, Tian-Fu; Cao, Rong Creating Giant Secondary Building Layers via Alkali-Etching Exfoliation for Precise Synthesis of Metal‒Organic Frameworks Chemistry of Materials, 2019, 31, 7584 |
| 4003084 | CIF | Cl3 Cs In | I 4/m | 17.188; 17.188; 11.041 90; 90; 90 | 3261.8 | McCall, Kyle M.; Friedrich, Daniel; Chica, Daniel G.; Cai, Weizhao; Stoumpos, Constantinos C.; Alexander, Grant C. B.; Deemyad, Shanti; Wessels, Bruce W.; Kanatzidis, Mercouri G. Perovskites with a Twist: Strong In1+ Off-Centering in the Mixed-Valent CsInX3 (X = Cl, Br) Chemistry of Materials, 2019 |
| 4003085 | CIF | Br3 Cs In | I 4/m | 17.8982; 17.8982; 11.5351 90; 90; 90 | 3695.2 | McCall, Kyle M.; Friedrich, Daniel; Chica, Daniel G.; Cai, Weizhao; Stoumpos, Constantinos C.; Alexander, Grant C. B.; Deemyad, Shanti; Wessels, Bruce W.; Kanatzidis, Mercouri G. Perovskites with a Twist: Strong In1+ Off-Centering in the Mixed-Valent CsInX3 (X = Cl, Br) Chemistry of Materials, 2019 |
| 4003086 | CIF | Cl3 Cs In | I 4/m | 17.0057; 17.0057; 11.0266 90; 90; 90 | 3188.82 | McCall, Kyle M.; Friedrich, Daniel; Chica, Daniel G.; Cai, Weizhao; Stoumpos, Constantinos C.; Alexander, Grant C. B.; Deemyad, Shanti; Wessels, Bruce W.; Kanatzidis, Mercouri G. Perovskites with a Twist: Strong In1+ Off-Centering in the Mixed-Valent CsInX3 (X = Cl, Br) Chemistry of Materials, 2019 |
| 4003216 | CIF | C33 H24 Cu3 N6 O18 | I 4/m | 30.4638; 30.4638; 44.2772 90; 90; 90 | 41091.2 | Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform Chemistry of Materials, 2016, 28, 2000 |
| 4003217 | CIF | C33 H24 N6 O18 Zn3 | I 4/m | 30.5919; 30.5919; 44.8181 90; 90; 90 | 41944 | Ju, Zhanfeng; Yan, Shichen; Yuan, Daqiang De Novo Tailoring Pore Morphologies and Sizes for Different Substrates in a Urea-Containing MOFs Catalytic Platform Chemistry of Materials, 2016, 28, 2000 |
| 4003365 | CIF | C276 H180 Cu24 N24 O144 | I 4/m | 32.5662; 32.5662; 46.87 90; 90; 90 | 49708 | Barreda, Omar; Taggart, Garrett A.; Rowland, Casey A.; Yap, Glenn P. A.; Bloch, Eric D. Mechanochemical Synthesis of Porous Molecular Assemblies Chemistry of Materials, 2018, 30, 3975 |
| 4003374 | CIF | C8 H48 I44 N8 Pb18 | I 4/m | 23.279; 23.279; 30.804 90; 90; 90 | 16693 | Fateev, Sergey A.; Petrov, Andrey A.; Khrustalev, Victor N.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Goodilin, Eugene A.; Tarasov, Alexey B. Solution Processing of Methylammonium Lead Iodide Perovskite from γ-Butyrolactone: Crystallization Mediated by Solvation Equilibrium Chemistry of Materials, 2018, 30, 5237 |
| 4003686 | CIF | C114 H80 Ce38 O114 | I 4/m | 23.2865; 23.2865; 34.8183 90; 90; 90 | 18880.6 | Wasson, Megan C.; Zhang, Xuan; Otake, Ken-ichi; Rosen, Andrew S.; Alayoglu, Selim; Krzyaniak, Matthew D.; Chen, Zhijie; Redfern, Louis R.; Robison, Lee; Son, Florencia A.; Chen, Yongwei; Islamoglu, Timur; Notestein, Justin M.; Snurr, Randall Q.; Wasielewski, Michael R.; Farha, Omar K. Supramolecular Porous Assemblies of Atomically Precise Catalytically Active Cerium-Based Clusters Chemistry of Materials, 2020 |
| 4024886 | CIF | C39 H36 N2 O6 | I 4/m | 20.4461; 20.4461; 16.7061 90; 90; 90 | 6983.9 | David Franz; Steven J. Robbins; René T. Boeré; Peter W. Dibble Synthesis and Characterization of 2,7-Di(tert-butyl)pyreno[4,5-c:9,10-c']difuran and Derived Pyrenophanes Journal of Organic Chemistry, 2009, 74, 7544-7547 |
| 4027347 | CIF | C44 H33 N4 O2.5 | I 4/m | 13.46; 13.46; 9.7678 90; 90; 90 | 1769.6 | Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge meso-Arylporpholactones and their Reduction Products Journal of Organic Chemistry, 2012, 77, 6480-6494 |
| 4030190 | CIF | Ca2 F7 Yb | I 4/m | 8.68; 8.68; 16.657 90; 90; 90 | 1255 | Bevan, D. J. M.; McCall, Maxime J.; Ness, Sharon E.; Taylor, Max R. Cuboctahedral anion clusters in fluorite-related superstructures : the structure of Ca2YbF7. Part 2 European Journal of Solid State and Inorganic Chemistry, 1988, 25, 517-526 |
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