Crystallography Open Database

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Searching space group like 'P c a n'

COD ID: 1526222
CIF file Formula: - Ca0.89 Ce0.11 H0.59 Nb1.3 O6 Ti0.7 -
Comments: Gurbanova, O.A.; Smolin, A.S.; Rastsvetaeva, R.K.; Kashaev, A.A. Refined crystal structure of TR-fersmite (TR = Ce) Kristallografiya 46 (2001) 234-235
Space group: P c a n
Cell volume: 453.049
Cell parameters: 5.762; 14.988; 5.246; 90; 90; 90;  

COD ID: 1527258
CIF file Formula: - Cl3 Cu Rb -
Comments: Crama, W.J. The cooperative Jahn-Teller distorted structure of Rb Cu Cl3 Journal of Solid State Chemistry 39 (1981) 168-172
Space group: P c a n
Cell volume: 512.51
Cell parameters: 11.9286; 6.9705; 6.1638; 90; 90; 90;  

COD ID: 1529544
CIF file Formula: - Ca0.8667 La0.1333 Nb1.814 O6 Ti0.186 -
Comments: Aleksandrov, V.B. The crystal structure of Fersmite Doklady Akademii Nauk SSSR 132 (1960) 669-679
Space group: P c a n
Cell volume: 445.118
Cell parameters: 5.718; 14.91; 5.221; 90; 90; 90;  

COD ID: 1536760
CIF file Formula: - F2 K2 Mn2 O7 P2 -
Comments: Yakubovich, O.V.; Mel'nikov, O.K. Crystal structure of K2Mn2(P2O7)F2.Crystal chemistry of diorthophosphates of Fe and Mn. Kristallografiya 36 (1991) 334-341
Space group: P c a n
Cell volume: 831.192
Cell parameters: 11.318; 6.899; 10.645; 90; 90; 90;  

COD ID: 2002359
CIF file Formula: - Nb2 Ni4 O9 -
Comments: Wichmann, R; Mueller-Buschbaum, Hk Eine neue Kristallstruktur des Nickel-oxoniobats: II-Ni4 Nb2 O9 Zeitschrift fuer Anorganische und Allgemeine Chemie 539 (1986) 203-210
Space group: P c a n
Cell volume: 634
Cell parameters: 5.0545; 8.7688; 14.3041; 90; 90; 90;  

COD ID: 2003230
CIF file

Original IUCr paper

 Formula: - C20 H30 O8 -
Comments: Ferguson, G.; Gallagher, J. F.; McAlees, A. J. Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids Acta Crystallographica Section C 51(3) (1995) 454-458
Space group: P c a n
Cell volume: 2186.9
Cell parameters: 11.321; 10.782; 17.916; 90; 90; 90;  

COD ID: 2105793
CIF file

HKL data

Original IUCr paper

 Formula: - H7 K9 O32 S8 -
Comments: Makarova, Irina; Grebenev, Vadim; Dmitricheva, Elena; Dolbinina, Valentina; Chernyshov, Dmitry <i>M~m~</i>H~<i>n~</i>(<i>X</i>O~4~)~(<i>m~+{ıt n</i>)/2} crystals: structure, phase transitions, hydrogen bonds, conductivity. I. K~9~H~7~(SO~4~)~8~·H~2~O crystals ‒ a new representative of the family of solid acid conductors Acta Crystallographica Section B 70(2) (2014) 218-226
Space group: P c a n
Cell volume: 3286.93
Cell parameters: 7.1474; 19.7761; 23.2542; 90; 90; 90;  

COD ID: 2222360
CIF file

HKL data

Original IUCr paper

 Formula: - C28 H20 Hg N4 S2 -
Comments: Alizadeh, Robabeh (2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>S</i>)mercury(II) Acta Crystallographica Section E 65(7) (2009) m817-m818
Space group: P c a n
Cell volume: 5202.7
Cell parameters: 7.5907; 24.0254; 28.5284; 90; 90; 90;  

COD ID: 4000608
CIF file Formula: - C4 H8 Ag N2 O3.5 -
Comments: Chemistry of Materials (2005)
Space group: P c a n
Cell volume: 1502.3
Cell parameters: 7.1981; 11.962; 17.4481; 90; 90; 90;  

COD ID: 4001699
CIF file Formula: - C8 H43 La3 O40 P4 -
Comments: Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations Chemistry of Materials 24(19) (2012) 3780
Space group: P c a n
Cell volume: 3956.2
Cell parameters: 13.36042; 26.282; 11.26679; 90; 90; 90;  

COD ID: 4001701
CIF file Formula: - C8 H36 Gd3 O36 P4 -
Comments: Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations Chemistry of Materials 24(19) (2012) 3780
Space group: P c a n
Cell volume: 3712.92
Cell parameters: 13.0433; 25.7014; 11.0757; 90; 90; 90;  

COD ID: 4022551
CIF file Formula: - C16 H22 O8 -
Comments: Carles Ayats; Pelayo Camps; María D. Duque; Mercé Font-Bardia; M. Rosa Muñoz; Xavier Solans; Santiago Vázquez Alternative Syntheses of the New D~2d~ Symmetric Tetramethyl Tricyclo- [3.3.0.0^3,7^]octane-1,3,5,7-tetracarboxylate Journal of Organic Chemistry 68 (2003) 8715-8718
Space group: P c a n
Cell volume: 1645.2
Cell parameters: 8.572; 11.57; 16.588; 90; 90; 90;  

COD ID: 4027071
CIF file Formula: - C41 H43 B Cl2 N2 O -
Comments: James E. Taylor; Matthew D. Jones; Jonathan M. J. Williams; Steven D. Bull N-Acyl DBN Tetraphenylborate Salts as N-Acylating Agents Journal of Organic Chemistry 77 (2012) 2808-2818
Space group: P c a n
Cell volume: 6990.44
Cell parameters: 17.718; 19.401; 20.336; 90; 90; 90;  

COD ID: 4031921
CIF file Formula: - C11 H13 Br Cl N -
Comments: Durel, Vianney; Lalli, Claudia; Roisnel, Thierry; Weghe, Pierre van de Synergistic Effect of the TiCl4/p-TsOH Promoter System on the Aza-Prins Cyclization. The Journal of organic chemistry 81(3) (2016) 849-859
Space group: P c a n
Cell volume: 2271.5
Cell parameters: 5.4944; 17.8095; 23.213; 90; 90; 90;  

COD ID: 4061997
CIF file Formula: - C21 H30 Cl Co N6 O6 -
Comments: Organometallics (2003)
Space group: P c a n
Cell volume: 5138.6
Cell parameters: 10.84; 14.93; 31.751; 90; 90; 90;  

COD ID: 4066108
CIF file Formula: - C40 H40 Hg2 N4 -
Comments: Patel, Upali; Sharma, Sagar; Singh, Harkesh B.; Dey, Sandip; Jain, Vimal K.; Wolmershäuser, Gotthelf; Butcher, Ray J. Intermetallic Bonds in Metallophilic Mercuraazametallamacrocycles of Synthetic Design Organometallics 29(19) (2010) 4265
Space group: P c a n
Cell volume: 3427.9
Cell parameters: 12.8247; 15.5549; 17.1838; 90; 90; 90;  

COD ID: 4069281
CIF file Formula: - C14 H38 Cd3 N4 O2 -
Comments: Johnson, Andrew L.; Hollingsworth, Nathan; Kingsley, Andrew; Kociok-Köhn, Gabriele; Molloy, Kieran C. Organocadmium Hydrazide and Hydrazine Complexes Organometallics 28(8) (2009) 2650
Space group: P c a n
Cell volume: 2316.44
Cell parameters: 7.1301; 13.3607; 24.3162; 90; 90; 90;  

COD ID: 4112104
CIF file Formula: - C20 H27 Cu N3 O9 -
Comments: Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation Journal of the American Chemical Society 127 (2005) 17152-17153
Space group: P c a n
Cell volume: 4398
Cell parameters: 14.035; 14.625; 21.424; 90; 90; 90;  

COD ID: 4112107
CIF file Formula: - C22 H17 Cu N3 O8 -
Comments: Tapas Kumar Maji; Golam Mostafa; Ryotaro Matsuda; Susumu Kitagawa Guest-Induced Asymmetry in a Metal-Organic Porous Solid with Reversible Single-Crystal-to-Single-Crystal Structural Transformation Journal of the American Chemical Society 127 (2005) 17152-17153
Space group: P c a n
Cell volume: 4545.9
Cell parameters: 13.9126; 15.0856; 21.6595; 90; 90; 90;  

COD ID: 4306455
CIF file Formula: - C34 H40 Cl2 Cu4 Fe6 N2 O18 Se2 -
Comments: Minghuey Shieh; Chia-Yeh Miu; Chang-Ju Lee; Wei-Cheng Chen; Yen-Yi Chu; Hui-Lung Chen Construction of Copper Halide-Triiron Selenide Carbonyl Complexes: Synthetic, Electrochemical, and Theoretical Studies Inorganic Chemistry 47 (2008) 11018-11031
Space group: P c a n
Cell volume: 5225
Cell parameters: 12.168; 17.759; 24.181; 90; 90; 90;  

COD ID: 4314153
CIF file Formula: - H2 I2 Np O9 -
Comments: Amanda C. Bean; Brian L. Scott; Thomas E. Albrecht-Schmitt; Wolfgang Runde Structural and Spectroscopic Trends in Actinyl Iodates of Uranium, Neptunium, and Plutonium Inorganic Chemistry 42 (2003) 5632-5636
Space group: P c a n
Cell volume: 811.2
Cell parameters: 7.684; 8.45; 12.493; 90; 90; 90;  

COD ID: 4325928
CIF file Formula: - C85 H98 Cl2 Cr2 Mn6 N6 O24 Se4 -
Comments: Minghuey Shieh; Chia-Yeh Miu; Kuo-Chih Huang; Chung-Feng Lee; Bao-Gun Chen Stepwise Construction of Manganese-Chromium Carbonyl Chalcogenide Complexes: Synthesis, Electrochemical Properties, and Computational Studies Inorganic Chemistry 50 (2011) 7735-7748
Space group: P c a n
Cell volume: 9551.29
Cell parameters: 13.2857; 20.3204; 35.379; 90; 90; 90;  

COD ID: 4326524
CIF file Formula: - C16 H83.25 Ge20 N16 Ni3 O52.63 -
Comments: Shiliang Huang; Kirsten Christensen; Maxim V. Peskov; Sihai Yang; Kuo Li; Xiaodong Zou; Junliang Sun Two Open-Framework Germanates with Nickel Complexes Incorporated into the Framework Inorganic Chemistry 50 (2011) 9921-9923
Space group: P c a n
Cell volume: 6904.3
Cell parameters: 10.5529; 31.5559; 20.7333; 90; 90; 90;  

COD ID: 4331247
CIF file Formula: - C18 H8 Cl4 I2 N2 -
Comments: Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline Inorganic Chemistry 51 (2012) 13081-13095
Space group: P c a n
Cell volume: 1985.8
Cell parameters: 6.232; 15.45; 20.624; 90; 90; 90;  

COD ID: 4339098
CIF file Formula: - C24 H36 Mn2 N10 O4 -
Comments: Darensbourg, Donald J.; Frantz, Eric B. Manganese(III) Schiff base complexes: chemistry relevant to the copolymerization of epoxides and carbon dioxide. Inorganic chemistry 46(15) (2007) 5967-5978
Space group: P c a n
Cell volume: 5438
Cell parameters: 13.778; 19.679; 20.056; 90; 90; 90;  

COD ID: 7000524
CIF file Formula: - C20 H10 Cu3 N2 O10 -
Comments: Zheng, Yan-Zhen; Zhang, Yue-Biao; Tong, Ming-Liang; Xue, Wei; Chen, Xiao-Ming Syntheses, structures and magnetic properties of a family of metal carboxylate polymers viain situ metal‒ligand reactions of benzene-1,2,3-tricarboxylic acid Dalton Transactions (issue 8) (2009) 1396
Space group: P c a n
Cell volume: 1807.1
Cell parameters: 6.8274; 12.1367; 21.808; 90; 90; 90;  

COD ID: 7017447
CIF file Formula: - C18 H30 N3 O6 Ru S6 -
Comments: Nagy, Eszter Márta; Nardon, Chiara; Giovagnini, Lorena; Marchiò, Luciano; Trevisan, Andrea; Fregona, Dolores Promising anticancer mono- and dinuclear ruthenium(iii) dithiocarbamato complexes: systematic solution studies. Dalton transactions (Cambridge, England : 2003) 40(44) (2011) 11885-11895
Space group: P c a n
Cell volume: 3159
Cell parameters: 10.077; 16.701; 18.769; 90; 90; 90;  

COD ID: 7024557
CIF file Formula: - C18 H16 F3 N3 O4 Pt S2 -
Comments: Mandal, Sutanuva; Paul, Nandadulal; Banerjee, Priyabrata; Mondal, Tapan K.; Goswami, Sreebrata 1,4-Alkyl migration associated with simultaneous S-C bond cleavage and N-C bond formation in platinum complexes of 2-aminothioethers. Characterization of intramolecular interligand charge transfer phenomenon. Dalton transactions (Cambridge, England : 2003) 39(10) (2010) 2717-2726
Space group: P c a n
Cell volume: 4008.9
Cell parameters: 9.2882; 20.417; 21.1399; 90; 90; 90;  

COD ID: 7033910
CIF file Formula: - C30 H58 Cl6 Cu4 N4 Se8 -
Comments: Dhayal, Rajendra S.; Liao, Jian-Hong; Hou, Hsing-Nan; Ervilita, Ria; Liao, Ping-Kuei; Liu, C. W. Copper(i) diselenocarbamate clusters: synthesis, structures and single-source precursors for Cu and Se composite materials. Dalton transactions (Cambridge, England : 2003) 44(12) (2015) 5898-5908
Space group: P c a n
Cell volume: 5443
Cell parameters: 11.7089; 17.4277; 26.6735; 90; 90; 90;  

COD ID: 7045831
CIF file Formula: - C101 H134 Eu4 F3 N16 Na O44 S -
Comments: Junker, Anne Kathrine R.; Hill, Leila R.; Thompson, Amber L.; Faulkner, Stephen; Sørensen, Thomas Just Shining light on the antenna chromophore in lanthanide based dyes. Dalton transactions (Cambridge, England : 2003) 47(14) (2018) 4794-4803
Space group: P c a n
Cell volume: 28327
Cell parameters: 17.9227; 32.942; 47.9786; 90; 90; 90;  

COD ID: 7049478
CIF file Formula: - C19 H14 Cl0.31 Cu1.31 N2 O5 -
Comments: Yao, Qingxia; Lu, Xiufang; Liu, Kaili; Ma, Chao; Su, Jie; Lin, Cong; Li, DaCheng; Dou, Jianmin; Sun, Junliang; Duan, Wen-zeng An NHC-CuCl functionalized metal-organic framework for catalyzing β-boration of α,β-unsaturated carbonyl compounds Dalton Transactions (2019)
Space group: P c a n
Cell volume: 7074.1
Cell parameters: 13.2144; 22.3311; 23.9725; 90; 90; 90;  

COD ID: 7058917
CIF file Formula: - C24 H18 Cl2 N2 Ni O2 -
Comments: Danelli, Panagiota; Tsantis, Sokratis T.; Kitos, Alexandros; Psycharis, Vassilis; Raptopoulou, Catherine P.; Tsipis, Athanassios; Perlepes, Spyros P. Investigating the isolation and interconversion of two diastereoisomers in an octahedral system New Journal of Chemistry (2019)
Space group: P c a n
Cell volume: 2178.14
Cell parameters: 7.954; 13.9375; 19.6479; 90; 90; 90;  

COD ID: 7117826
CIF file Formula: - C51 H56 O4 Si3 -
Comments: Marina Fukawa; Takayuki Sato; Yoshio Kabe A hydrogen bonded molecular capsule versus a 3D network of tripodal organopolysilanols Chem.Commun. 51 (2015) 14746
Space group: P c a n
Cell volume: 8969.7
Cell parameters: 19.2489; 19.7912; 23.545; 90; 90; 90;  

COD ID: 7207276
CIF file Formula: - C58 H97 Fe N5 O8 -
Comments: Stokes, Francesca A.; Coles, Martyn P.; Hitchcock, Peter B. Into the second dimension with ferrocene bis-amidinium salts CrystEngComm 14(3) (2012) 771
Space group: P c a n
Cell volume: 6125.67
Cell parameters: 16.2731; 17.5849; 21.4064; 90; 90; 90;  

COD ID: 7222366
CIF file Formula: - C94.8 H137.2 N O23.8 -
Comments: Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening CrystEngComm 17(41) (2015) 7915
Space group: P c a n
Cell volume: 19581
Cell parameters: 22.92; 23.62; 36.17; 90; 90; 90;  

COD ID: 7223273
CIF file Formula: - C17 H27 I N4 Pt -
Comments: Ghosh, Biswa Nath; Schlecht, Sabine Exchange of pyridine and bipyridine ligands in trimethylplatinum(IV) iodide complexes: Substituent and solvent effects RSC Adv. (2015)
Space group: P c a n
Cell volume: 4389.5
Cell parameters: 13.7054; 17.6237; 18.1731; 90; 90; 90;  

COD ID: 7224922
CIF file Formula: - C89.9 H138.6 F6.6 N2 O9.2 -
Comments: Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia Encapsulation of biogenic polyamines by carboxylcalix[5]arenes: when solid-state design beats recognition in solution CrystEngComm 18(26) (2016) 5012
Space group: P c a n
Cell volume: 18444
Cell parameters: 23.22; 24.47; 32.46; 90; 90; 90;  

COD ID: 7237017
CIF file Formula: - C18 H16 Br2 Fe N10 -
Comments: Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects Journal of Materials Chemistry C 6(13) (2018) 3352
Space group: P c a n
Cell volume: 2075.8
Cell parameters: 8.707; 14.128; 16.875; 90; 90; 90;  

COD ID: 7706994
CIF file Formula: - C38 H38 N2 Zr -
Comments: Hamilton, Elizabeth A.; Kilpatrick, Alexander F. R.; Turner, Zoë R; Fraser, Duncan A. X.; Buffet, Jean-Charles; O'Hare, Dermot CO<sub>2</sub> activation by permethylpentalene amido zirconium complexes. Dalton transactions (Cambridge, England : 2003) 50(13) (2021) 4494-4498
Space group: P c a n
Cell volume: 2923.26
Cell parameters: 7.3313; 19.9253; 20.0116; 90; 90; 90;  

COD ID: 7716864
CIF file Formula: - C46 H54 B4 N12 O14 Pt4 S4 -
Comments: Vila, Jose M.; Fernandes, Alexandra R.; Reigosa, Francisco; Cordeiro, Sandra; Pereira, M. Teresa; Filipe, Beatriz; Baptista, Pedro V. Effect of mono- and dinuclear thiosemicarbazone platinacycles in the proliferation of colorectal carcinoma cell line Dalton Transactions (2024)
Space group: P c a n
Cell volume: 5981.7
Cell parameters: 14.9082; 19.3315; 20.7555; 90; 90; 90;  

COD ID: 9000121
CIF file Formula: - Fe0.177 Mn0.12 Nb0.124 O2 Sn0.128 Ta0.438 Ti0.006 W0.001 Zr0.006 -
Comments: Nickel, E. H.; Rowland, J. F.; McAdam, R. C. Ixiolite - a columbite substructure sample M-6591, note that the coordinates have been put into a standard setting American Mineralogist 48 (1963) 961-979
Space group: P c a n
Cell volume: 140.013
Cell parameters: 5.731; 4.742; 5.152; 90; 90; 90;  

COD ID: 9002486
CIF file Formula: - Al6 Ca4 O13 -
Comments: Kahlenberg, V.; Fischer, R. X.; Shaw, C. S. J. High-pressure Ca4Al6O13: An example of a calcium aluminate with three different types of coordination polyhedra for aluminum American Mineralogist 85 (2000) 1492-1496
Space group: P c a n
Cell volume: 1985.22
Cell parameters: 5.3002; 17.761; 21.0887; 90; 90; 90;  

COD ID: 9009702
CIF file Formula: - H8 O16 Pb U2 V2 -
Comments: Borene, J.; Cesbron, F. Structure cristalline de la curienite Pb(UO2)2(VO4)2(H2O)5 Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 94 (1971) 8-14
Space group: P c a n
Cell volume: 1451.83
Cell parameters: 10.419; 8.494; 16.405; 90; 90; 90;  

COD ID: 9011744
CIF file Formula: - Ba0.96 H10 O17 Pb0.04 U2 V2 -
Comments: Mereiter, K. Crystal structure refinement of two francevillites, (Ba,Pb)[(UO2)2V2O8]*5H2O Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 552-560
Space group: P c a n
Cell volume: 1486.3
Cell parameters: 10.419; 8.51; 16.763; 90; 90; 90;  

COD ID: 9011745
CIF file Formula: - Ba0.69 H10 O17 Pb0.31 U2 V2 -
Comments: Mereiter, K. Crystal structure refinement of two francevillites, (Ba,Pb)[(UO2)2V2O8]*5H2O Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 552-560
Space group: P c a n
Cell volume: 1473.87
Cell parameters: 10.479; 8.45; 16.645; 90; 90; 90;  

COD ID: 9012644
CIF file Formula: - Ca0.89 Ce0.11 Nb1.3 O6 Ti0.7 -
Comments: Gurbanova, O. A.; Rastsvetaeva, R. K.; Kashaev, A. A.; Smolin, A. S. Refined crystal structure of TR-fersmite (TR = Ce) Crystallography Reports 46 (2001) 194-195
Space group: P c a n
Cell volume: 453.049
Cell parameters: 5.762; 14.988; 5.246; 90; 90; 90;  


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