Crystallography Open Database
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COD ID  |
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Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1514298 | CIF | C11 H8 F3 N O4 | P 1 21/n 1 | 14.395; 10.661; 15.136 90; 95.588; 90 | 2311.8 | Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel–Crafts reaction of indoles with β,β-disubstituted nitroalkenes Chemical Science, 2014, 5, 1799 |
| 1514299 | CIF | C25 H22 N2 O2 | P -4 21 c | 21.2628; 21.2628; 9.0321 90; 90; 90 | 4083.5 | Mori, Keiji; Wakazawa, Manari; Akiyama, Takahiko Stereoselective construction of all-carbon quaternary center by means of chiral phosphoric acid: highly enantioselective Friedel‒Crafts reaction of indoles with β,β-disubstituted nitroalkenes Chemical Science, 2014, 5, 1799 |
| 1514300 | CIF | C21 H20 Br N O4 | P 1 21 1 | 10.3326; 6.3617; 14.1521 90; 96.731; 90 | 923.85 | Stiller, Julian; Poulsen, Pernille H.; Cruz, David Cruz; Dourado, Jorge; Davis, Rebecca L.; Jørgensen, Karl Anker Organocatalytic [4+2] addition reactions via tetraenamine intermediate Chemical Science, 2014, 5, 2052 |
| 1514301 | CIF | C30 H22 N10 O2.88 | P 1 21/n 1 | 4.188; 21.206; 30.008 90; 91.247; 90 | 2664 | Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D. ‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages Chemical Science, 2014, 5, 1833 |
| 1514302 | CIF | C33 H23 Cl3 Fe N6 | P -1 | 11.4645; 16.4498; 16.6038 105.696; 102.138; 95.838 | 2904.99 | Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D. ‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages Chemical Science, 2014, 5, 1833 |
| 1514303 | CIF | C62 H37 Cl2 N15 O6 Re2 | C 1 2/c 1 | 40; 7.73; 19.823 90; 97.713; 90 | 6074 | Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D. ‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages Chemical Science, 2014, 5, 1833 |
| 1514304 | CIF | C28 H18 Ag F6 N6 Sb | P -1 | 11.1876; 12.2069; 12.521 112.398; 100.82; 90.607 | 1546.5 | Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D. ‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages Chemical Science, 2014, 5, 1833 |
| 1514305 | CIF | C64 H52.5 B0 Cl F0 Fe2 N13 O2.75 Pd Pt0.5 | P -1 | 14.809; 21.668; 24.158 105.56; 94.22; 90.62 | 7444 | Lewis, James E. M.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D. ‘Click’ to functionalise: synthesis, characterisation and enhancement of the physical properties of a series of exo- and endo-functionalised Pd2L4 nanocages Chemical Science, 2014, 5, 1833 |
| 1514306 | CIF | C15 H15 Br O4 | P 21 21 21 | 5.3717; 18.0674; 29.3071 90; 90; 90 | 2844.3 | Johnston, Ryne C.; Cohen, Daniel T.; Eichman, Chad C.; Scheidt, Karl A.; Cheong, Paul Ha-Yeon Catalytic Kinetic Resolution of a Dynamic Racemate: Highly Stereoselective β-Lactone Formation by N-Heterocyclic Carbene Catalysis. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1974-1982 |
| 1514307 | CIF | C15 H15 Br O4 | P 21 21 21 | 5.4193; 9.4004; 28.084 90; 90; 90 | 1430.7 | Johnston, Ryne C.; Cohen, Daniel T.; Eichman, Chad C.; Scheidt, Karl A.; Cheong, Paul Ha-Yeon Catalytic Kinetic Resolution of a Dynamic Racemate: Highly Stereoselective β-Lactone Formation by N-Heterocyclic Carbene Catalysis. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1974-1982 |
| 1514308 | CIF | C50.5 H87 Cl2 Co2 N2 P4 | C 1 2/c 1 | 29.522; 11.3531; 16.459 90; 102.536; 90 | 5385 | Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science, 2014, 5, 1956 |
| 1514309 | CIF | C20 H38 Co I N P2 | P 1 21/c 1 | 15.6128; 9.7824; 16.1191 90; 106.659; 90 | 2358.55 | Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science, 2014, 5, 1956 |
| 1514310 | CIF | C37 H49 Co N P2 | P -1 | 10.4893; 11.4272; 16.7767 75.494; 74.128; 64.032 | 1718.98 | Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science, 2014, 5, 1956 |
| 1514311 | CIF | C22 H45 Co N P3 | P 1 21/c 1 | 13.885; 11.36; 16.179 90; 94.627; 90 | 2543.7 | Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science, 2014, 5, 1956 |
| 1514312 | CIF | C25 H51 Co N P3 | P -1 | 10.0117; 10.3818; 15.817 95.298; 96.632; 116.746 | 1438.9 | Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science, 2014, 5, 1956 |
| 1514313 | CIF | C19 H38 Co N P2 | C 1 2/c 1 | 19.236; 9.591; 11.786 90; 100.635; 90 | 2137.1 | Semproni, Scott P.; Hojilla Atienza, Crisita Carmen; Chirik, Paul J. Oxidative addition and C‒H activation chemistry with a PNP pincer-ligated cobalt complex Chemical Science, 2014, 5, 1956 |
| 1514314 | CIF | C24 H17 O2 Sb | P 1 21/c 1 | 9.8268; 14.9773; 13.5372 90; 111.255; 90 | 1856.9 | Hirai, Masato; Gabbaï, François P. Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations Chemical Science, 2014, 5, 1886 |
| 1514315 | CIF | C30 H31 Cl4 F N3 O2 S Sb | P 1 21/c 1 | 10.0011; 21.4018; 16.9437 90; 122.404; 90 | 3062 | Hirai, Masato; Gabbaï, François P. Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations Chemical Science, 2014, 5, 1886 |
| 1514316 | CIF | C38 H37 F N3 O4 S Sb | P 21 21 21 | 14.7131; 16.7493; 27.433 90; 90; 90 | 6760.4 | Hirai, Masato; Gabbaï, François P. Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations Chemical Science, 2014, 5, 1886 |
| 1514317 | CIF | C32 H42 N2 O6 S2 | P -1 | 14.942; 17.41; 20.949 68.999; 69.324; 75.701 | 4714.5 | Turnpenny, Benjamin W.; Chemler, Sherry R. Copper-Catalyzed Alkene Diamination: Synthesis of Chiral 2-Aminomethyl Indolines and Pyrrolidines. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 1786-1793 |
| 1514318 | CIF | C22 H24 Mo N2 O4 | P b c a | 17.9132; 11.6738; 21.3034 90; 90; 90 | 4454.9 | Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P. Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts Chemical Science, 2014, 5, 1894 |
| 1514319 | CIF | C49 H80 K2 N2 O16 W | P n m a | 29.9821; 15.8708; 11.837 90; 90; 90 | 5632.5 | Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P. Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts Chemical Science, 2014, 5, 1894 |
| 1514320 | CIF | C22 H24 N2 O4 W | P b c a | 17.8251; 11.6986; 21.3193 90; 90; 90 | 4445.7 | Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P. Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts Chemical Science, 2014, 5, 1894 |
| 1514321 | CIF | C30 H40 K N2 O11 W | P 1 21/c 1 | 12.213; 18.7469; 15.488 90; 107.674; 90 | 3378.69 | Clark, Melissa L.; Grice, Kyle A.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P. Electrocatalytic CO2 reduction by M(bpy-R)(CO)4 (M = Mo, W; R = H, tBu) complexes. Electrochemical, spectroscopic, and computational studies and comparison with group 7 catalysts Chemical Science, 2014, 5, 1894 |
| 1514341 | CIF | C27 H50 N2 O8 S2 | P -1 | 6.53547; 9.4651; 26.193 83.956; 84.79; 89.716 | 1604.59 | Köstereli, Ziya; Scopelliti, Rosario; Severin, Kay Pattern-based sensing of aminoglycosides with fluorescent amphiphiles Chemical Science, 2014, 5, 2456 |
| 1514359 | CIF | C217 H85 Cl23 Dy2 N24 O | P 1 21/c 1 | 16.6402; 27.6773; 39.7657 90; 90.466; 90 | 18313.7 | Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM Chemical Science, 2014, 5, 3214 |
| 1514360 | CIF | C136 H40 Cl4 Dy N12 O0 | C 1 2/c 1 | 22.5698; 15.6246; 24.1908 90; 96.681; 90 | 8472.8 | Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM Chemical Science, 2014, 5, 3214 |
| 1514361 | CIF | C220 H60 Cl8 Dy N12 O0 | P 1 21/c 1 | 19.3998; 28.3596; 24.7203 90; 90; 90 | 13600.4 | Wang, Hailong; Qian, Kang; Qi, Dongdong; Cao, Wei; Wang, Kang; Gao, Song; Jiang, Jianzhuang Co-crystallized fullerene and a mixed (phthalocyaninato)(porphyrinato) dysprosium double-decker SMM Chemical Science, 2014, 5, 3214 |
| 1514373 | CIF | C39 H42 Cl F6 N3 O4 P2 Ru | P -1 | 10.2059; 12.2904; 16.59 88.423; 79.612; 67.58 | 1890.2 | Sharma, Hemant; Guadalupe, Hernández J.; Narayanan, Jayanthi; Hofeld, Herbert; Pandiyan, Thangarasu; Singh, Narinder Pyridyl- and benzimidazole-based ruthenium(iii) complex for selective chloride recognition through fluorescence spectroscopy Analytical Methods, 2013, 5, 3880 |
| 1514376 | CIF | C25 H27 F18 N O2 W | P -1 | 15.3435; 17.6683; 21.002 65.712; 71.109; 68.54 | 4728 | Mougel, V.; Copéret, C. Magnitude and consequences of OR ligand σ-donation on alkene metathesis activity in d0 silica supported (SiO)W(NAr)(CHtBu)(OR) catalysts Chemical Science, 2014, 5, 2475 |
| 1514377 | CIF | C110 H134 Cl13 N8 O6 P | C 1 2/c 1 | 43.4252; 8.333; 36.214 90; 113.942; 90 | 11977 | Furuyama, Taniyuki; Yoshida, Takuya; Hashizume, Daisuke; Kobayashi, Nagao Phosphorus(v) tetraazaporphyrins: porphyrinoids showing an exceptionally strong CT band between the Soret and Q bands Chemical Science, 2014, 5, 2466 |
| 1514856 | CIF | C20 H32 Cl2 N4 Pd | P 1 21/c 1 | 7.5573; 14.3118; 22.254 90; 94.258; 90 | 2400.3 | Haque, Rosenani A.; Salman, Abbas Washeel; Budagumpi, Srinivasa; Abdullah, Amirul Al-Ashraf; Majid, Amin M S Abdul Sterically tuned Ag(I)- and Pd(II)-N-heterocyclic carbene complexes of imidazol-2-ylidenes: synthesis, crystal structures, and in vitro antibacterial and anticancer studies. Metallomics : integrated biometal science, 2013, 5, 760-769 |
| 1514857 | CIF | C14 H20 Br0 Cl2 N4 Pd | P -1 | 7.5862; 7.6268; 8.196 78.976; 73.148; 69.472 | 422.9 | Haque, Rosenani A.; Salman, Abbas Washeel; Budagumpi, Srinivasa; Abdullah, Amirul Al-Ashraf; Majid, Amin M S Abdul Sterically tuned Ag(I)- and Pd(II)-N-heterocyclic carbene complexes of imidazol-2-ylidenes: synthesis, crystal structures, and in vitro antibacterial and anticancer studies. Metallomics : integrated biometal science, 2013, 5, 760-769 |
| 1514858 | CIF | C28 H36 Cl2 N4 Pd | P 1 21/c 1 | 11.629; 8.662; 16.71 90; 122.315; 90 | 1422.5 | Haque, Rosenani A.; Salman, Abbas Washeel; Budagumpi, Srinivasa; Abdullah, Amirul Al-Ashraf; Majid, Amin M S Abdul Sterically tuned Ag(I)- and Pd(II)-N-heterocyclic carbene complexes of imidazol-2-ylidenes: synthesis, crystal structures, and in vitro antibacterial and anticancer studies. Metallomics : integrated biometal science, 2013, 5, 760-769 |
| 1514859 | CIF | C2 H16 N10 O7 Pt2 | P 1 21/a 1 | 6.76; 12.76; 18.06 90; 92.31; 90 | 1557 | Komeda, Seiji; Takayama, Hiroshi; Suzuki, Toshihiro; Odani, Akira; Yamori, Takao; Chikuma, Masahiko Synthesis of antitumor azolato-bridged dinuclear platinum(ii) complexes with in vivo antitumor efficacy and unique in vitro cytotoxicity profiles. Metallomics : integrated biometal science, 2013, 5, 461-468 |
| 1514860 | CIF | C19 H16 Au Cl N2 | P c a 21 | 12.8493; 6.2192; 20.5103 90; 90; 90 | 1639.03 | Citta, Anna; Schuh, Esther; Mohr, Fabian; Folda, Alessandra; Massimino, Maria Lina; Bindoli, Alberto; Casini, Angela; Rigobello, Maria Pia Fluorescent silver(I) and gold(I)-N-heterocyclic carbene complexes with cytotoxic properties: mechanistic insights. Metallomics : integrated biometal science, 2013, 5, 1006-1015 |
| 1514861 | CIF | C39 H34 Ag2 Cl4 N4 | P 1 21/c 1 | 11.70626; 10.58915; 28.8363 90; 94.201; 90 | 3564.92 | Citta, Anna; Schuh, Esther; Mohr, Fabian; Folda, Alessandra; Massimino, Maria Lina; Bindoli, Alberto; Casini, Angela; Rigobello, Maria Pia Fluorescent silver(I) and gold(I)-N-heterocyclic carbene complexes with cytotoxic properties: mechanistic insights. Metallomics : integrated biometal science, 2013, 5, 1006-1015 |
| 1514866 | CIF | C119.81 H53.81 Cl1.25 N4 Ni Sc2 | C 1 2/m 1 | 25.054; 15.018; 19.103 90; 94.07; 90 | 7169.59 | Feng, Yongqiang; Wang, Taishan; Wu, Jingyi; Feng, Lai; Xiang, Junfeng; Ma, Yihan; Zhang, Zhuxia; Jiang, Li; Shu, Chunying; Wang, Chunru Structural and electronic studies of metal carbide clusterfullerene Sc2C2@Cs-C72. Nanoscale, 2013, 5, 6704-6707 |
| 1514867 | CIF | C21.5 H16.5 F6 O6 | P 1 21 1 | 13.1176; 5.17328; 17.1353 90; 112.756; 90 | 1072.31 | Kataoka, Keisuke; Yasumoto, Tetsuaki; Manabe, Yousuke; Sato, Hiroyasu; Yamano, Akihito; Katagiri, Toshimasa A molecular-sized tunnel-porous crystal with a ratchet gear structure and its one-way guest-molecule transportation property. Nanoscale, 2013, 5, 1298-1300 |
| 1514868 | CIF | C18 H14 F6 O6 | P 1 21 1 | 13.308; 5.176; 15.272 90; 98.749; 90 | 1039.7 | Kataoka, Keisuke; Yasumoto, Tetsuaki; Manabe, Yousuke; Sato, Hiroyasu; Yamano, Akihito; Katagiri, Toshimasa A molecular-sized tunnel-porous crystal with a ratchet gear structure and its one-way guest-molecule transportation property. Nanoscale, 2013, 5, 1298-1300 |
| 1514869 | CIF | C190 H130 Ag16 Cl4 F27.89 O0.13 P8 S14 | I 41/a :2 | 25.3878; 25.3878; 72.3758 90; 90; 90 | 46649.1 | Yang, Huayan; Wang, Yu; Zheng, Nanfeng Stabilizing subnanometer Ag(0) nanoclusters by thiolate and diphosphine ligands and their crystal structures. Nanoscale, 2013, 5, 2674-2677 |
| 1514870 | CIF | C322 H234 Ag32 Cl0 F72 O1.5 P11 S24 | C 1 2/c 1 | 49.221; 22.63; 40.889 90; 120.01; 90 | 39439 | Yang, Huayan; Wang, Yu; Zheng, Nanfeng Stabilizing subnanometer Ag(0) nanoclusters by thiolate and diphosphine ligands and their crystal structures. Nanoscale, 2013, 5, 2674-2677 |
| 1514871 | CIF | C114.75 H48.75 Cl0.75 N4 Ni Sm | C 1 2 1 | 25.082; 14.877; 19.229 90; 93.881; 90 | 7159 | Xu, Wei; Hao, Yajuan; Uhlik, Filip; Shi, Zujin; Slanina, Zdenêk; Feng, Lai Structural and electrochemical studies of Sm@D3h-C74 reveal a weak metal-cage interaction and a small band gap species. Nanoscale, 2013, 5, 10409-10413 |
| 1514872 | CIF | C16 H8 N2 Se | P 1 21/n 1 | 9.9546; 9.6031; 12.4807 90; 105.463; 90 | 1149.91 | Xiao, Jinchong; Xiao, Xuyu; Zhao, Yanlei; Wu, Bo; Liu, Zhenying; Zhang, Xuemin; Wang, Sujuan; Zhao, Xiaohui; Liu, Lei; Jiang, Li Synthesis, physical properties and self-assembly behavior of azole-fused pyrene derivatives. Nanoscale, 2013, 5, 5420-5425 |
| 1514873 | CIF | C9 H26 N2 O12 Ti | P 3 | 15.304; 15.304; 6.6658 90; 90; 120 | 1352.1 | Seisenbaeva, Gulaim A.; Daniel, Geoffrey; Nedelec, Jean-Marie; Kessler, Vadim G. Solution equilibrium behind the room-temperature synthesis of nanocrystalline titanium dioxide. Nanoscale, 2013, 5, 3330-3336 |
| 1515283 | CIF | B H8 Li N2 | C 1 c 1 | 12.1653; 6.7288; 10.3724 90; 104.751; 90 | 821.08 | He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping Borohydride hydrazinates: high hydrogen content materials for hydrogen storage Energy & Environmental Science, 2012, 5, 5686 |
| 1515284 | CIF | B H12 Li N4 | P c a 21 | 12.0187; 6.49642; 7.6645 90; 90; 90 | 598.43 | He, Teng; Wu, Hui; Wu, Guotao; Wang, Junhu; Zhou, Wei; Xiong, Zhitao; Chen, Juner; Zhang, Tao; Chen, Ping Borohydride hydrazinates: high hydrogen content materials for hydrogen storage Energy & Environmental Science, 2012, 5, 5686 |
| 1515285 | CIF | C62 H91 B2 F8 N5 Ni O4 P4 | C 1 2/c 1 | 19.9269; 15.0019; 21.745 90; 102.643; 90 | 6342.9 | Seu, Candace S.; Appel, Aaron M.; Doud, Michael D.; DuBois, Daniel L.; Kubiak, Clifford P. Formate oxidation via β-deprotonation in [Ni(PR2NR′2)2(CH3CN)]2+ complexes Energy & Environmental Science, 2012, 5, 6480 |
| 1515286 | CIF | C54 H80 B Cl3 Mg2 O6 | P 1 21/n 1 | 16.076; 23.952; 17.49 90; 108.075; 90 | 6402 | Guo, Yong-sheng; Zhang, Fan; Yang, Jun; Wang, Fei-fei; NuLi, Yanna; Hirano, Shin-ichi Boron-based electrolyte solutions with wide electrochemical windows for rechargeable magnesium batteries Energy & Environmental Science, 2012, 5, 9100 |
| 1515287 | CIF | C36 H58 Al Cl5 Mg2 O6 | P -1 | 12.9569; 13.0714; 13.4709 77.757; 85.936; 72.074 | 2121.33 | Muldoon, John; Bucur, Claudiu B.; Oliver, Allen G.; Sugimoto, Tsuyoshi; Matsui, Masaki; Kim, Hee Soo; Allred, Gary D.; Zajicek, Jaroslav; Kotani, Yukinari Electrolyte roadblocks to a magnesium rechargeable battery Energy & Environmental Science, 2012, 5, 5941 |
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