Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1540402 | CIF | C15 H11 B Mn N6 O3 P3 | P 1 21/c 1 | 16.962; 10.482; 24.6311 90; 112.579; 90 | 4043.6 | Mlateček, Martin; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan; Holubová, Jana; Erben, Milan The first scorpionate ligand based on diazaphosphole. Dalton transactions (Cambridge, England : 2003), 2015, 44, 20242-20253 |
| 1540403 | CIF | C21 H23 B N7 P3 Pd | P 1 21/c 1 | 9.404; 15.931; 16.528 90; 100.27; 90 | 2436.5 | Mlateček, Martin; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan; Holubová, Jana; Erben, Milan The first scorpionate ligand based on diazaphosphole. Dalton transactions (Cambridge, England : 2003), 2015, 44, 20242-20253 |
| 1540404 | CIF | C22 H16 Cu N14 O | P -1 | 12.3344; 14.2954; 15.4511 95.631; 107.583; 108.242 | 2410.1 | Saha, Manideepa; Das, Mriganka; Nasani, Rajendar; Choudhuri, Indrani; Yousufuddin, Muhammed; Nayek, Hari Pada; Shaikh, Mobin M.; Pathak, Biswarup; Mukhopadhyay, Suman Targeted water soluble copper-tetrazolate complexes: interactions with biomolecules and catecholase like activities. Dalton transactions (Cambridge, England : 2003), 2015, 44, 20154-20167 |
| 1540405 | CIF | C29 H23 Cu N12 O3.5 | P -1 | 11.9248; 11.9276; 13.4576 71.6; 68.381; 70.668 | 1637.7 | Saha, Manideepa; Das, Mriganka; Nasani, Rajendar; Choudhuri, Indrani; Yousufuddin, Muhammed; Nayek, Hari Pada; Shaikh, Mobin M.; Pathak, Biswarup; Mukhopadhyay, Suman Targeted water soluble copper-tetrazolate complexes: interactions with biomolecules and catecholase like activities. Dalton transactions (Cambridge, England : 2003), 2015, 44, 20154-20167 |
| 1540406 | CIF | C24.65 H18 Cr Gd N8 Ni O10.65 | P 1 21/c 1 | 13.071; 12.139; 21.735 90; 106.84; 90 | 3300.8 | Chen, Chao; Liu, Yashu; Li, Ping; Zhou, Hongbo; Shen, Xiaoping Construction of Ni(II)Ln(III)M(III) (Ln = Gd(III), Tb(III); M = Fe(III), Cr(III)) clusters showing slow magnetic relaxations. Dalton transactions (Cambridge, England : 2003), 2015, 44, 20193-20199 |
| 1540407 | CIF | C24.63 H20.52 Cr N8 Ni O10.63 Tb | P 1 21/c 1 | 13.051; 12.15; 21.711 90; 106.89; 90 | 3294.2 | Chen, Chao; Liu, Yashu; Li, Ping; Zhou, Hongbo; Shen, Xiaoping Construction of Ni(II)Ln(III)M(III) (Ln = Gd(III), Tb(III); M = Fe(III), Cr(III)) clusters showing slow magnetic relaxations. Dalton transactions (Cambridge, England : 2003), 2015, 44, 20193-20199 |
| 1540408 | CIF | C25 H18 Fe N8 Ni O11 Tb | P 1 21/c 1 | 12.861; 12.014; 21.577 90; 106.73; 90 | 3192.8 | Chen, Chao; Liu, Yashu; Li, Ping; Zhou, Hongbo; Shen, Xiaoping Construction of Ni(II)Ln(III)M(III) (Ln = Gd(III), Tb(III); M = Fe(III), Cr(III)) clusters showing slow magnetic relaxations. Dalton transactions (Cambridge, England : 2003), 2015, 44, 20193-20199 |
| 1540409 | CIF | C24 H18 Fe Gd N8 Ni O11 | P 1 21/c 1 | 12.862; 12.012; 21.58 90; 106.72; 90 | 3193.1 | Chen, Chao; Liu, Yashu; Li, Ping; Zhou, Hongbo; Shen, Xiaoping Construction of Ni(II)Ln(III)M(III) (Ln = Gd(III), Tb(III); M = Fe(III), Cr(III)) clusters showing slow magnetic relaxations. Dalton transactions (Cambridge, England : 2003), 2015, 44, 20193-20199 |
| 1540410 | CIF | C142 H120 Gd7 N11 O24 | P -1 | 15.5132; 20.762; 24.831 106.288; 103.085; 105.827 | 6977.1 | Mazarakioti, Eleni C.; Cunha-Silva, Luís; Bekiari, Vlasoula; Escuer, Albert; Stamatatos, Theocharis C. New structural topologies in 4f-metal cluster chemistry from vertex-sharing butterfly units: {LnIII7} complexes exhibiting slow magnetization relaxation and ligand-centred emissions RSC Advances, 2015, 5, 92534-92538 |
| 1540411 | CIF | C23 H20 N2 O | P -1 | 9.7936; 10.0349; 10.3079 110.403; 101.163; 102.888 | 883.8 | Dandia, Anshu; Sharma, Amit; Parewa, Vijay; Kumawat, Begraj; Rathore, Kuldeep S.; Sharma, Amit Amidic C–N bond cleavage of isatin: chemoselective synthesis of pyrrolo[2,3,4- <i>kl</i> ]acridin-1-ones using Ag NPs decorated rGO composite as an efficient and recoverable catalyst under microwave irradiation RSC Advances, 2015, 5, 91888-91902 |
| 1540412 | CIF | C29 H24 N2 O2 Se | P 21 21 21 | 8.7794; 14.6701; 37.5122 90; 90; 90 | 4831.4 | Chang, Wong-Jin; Kulkarni, Manohar V.; Sun, Chung-Ming Regioselective one-pot three component synthesis of chiral 2-iminoselenazolines under sonication RSC Advances, 2015, 5, 97113-97120 |
| 1540413 | CIF | C31 H28 N2 O3 Se | P 1 21 1 | 8.6504; 9.7776; 16.3783 90; 98.688; 90 | 1369.38 | Chang, Wong-Jin; Kulkarni, Manohar V.; Sun, Chung-Ming Regioselective one-pot three component synthesis of chiral 2-iminoselenazolines under sonication RSC Advances, 2015, 5, 97113-97120 |
| 1540414 | CIF | C22 H23 Br N2 O2 S Se | P 1 21 1 | 11.244; 7.6728; 12.837 90; 98.983; 90 | 1093.9 | Chang, Wong-Jin; Kulkarni, Manohar V.; Sun, Chung-Ming Regioselective one-pot three component synthesis of chiral 2-iminoselenazolines under sonication RSC Advances, 2015, 5, 97113-97120 |
| 1540415 | CIF | C16 H15 N Se | P 1 21/n 1 | 14.8679; 10.004; 18.5854 90; 98.871; 90 | 2731.3 | Chang, Wong-Jin; Kulkarni, Manohar V.; Sun, Chung-Ming Regioselective one-pot three component synthesis of chiral 2-iminoselenazolines under sonication RSC Advances, 2015, 5, 97113-97120 |
| 1540416 | CIF | Ce0.15 O2 Zr0.85 | P 42/n m c :1 | 3.63249; 3.63249; 5.22879 90; 90; 90 | 68.9938 | Yashima, M.; Hirose, T.; Katano, S.; Suzuki, Y.; Kakihana, M.; Yoshimura, M. Structural changes of ZrO~2~-CeO~2~ solid solutions around the monoclinic-tetragonal phase boundary Physical Review B, 1995, 51, 8434-8437 |
| 1540417 | CIF | C56 H73 Cl2 N2 P Ru | P 1 21/n 1 | 11.7833; 32.7044; 13.6983 90; 111.821; 90 | 4900.6 | Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts Catal. Sci. Technol., 2016, 6, 2092 |
| 1540418 | CIF | C61 H76 Cl2 F N2 P Ru | P 1 21/c 1 | 18.3485; 16.9164; 17.4629 90; 100.428; 90 | 5330.8 | Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts Catal. Sci. Technol., 2016, 6, 2092 |
| 1540419 | CIF | C56 H73 Cl2 N2 P Ru | P 21 21 21 | 14.15; 14.3631; 24.5735 90; 90; 90 | 4994.27 | Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts Catal. Sci. Technol., 2016, 6, 2092 |
| 1540420 | CIF | C21 H16 O3 S | P -1 | 9.8165; 12.2268; 14.5725 100.954; 94.518; 103.585 | 1655.1 | Zhang, Yun; Lam, Jacky W. Y.; Tang, Ben Zhong Palladium-catalyzed alkyne polyannulation of diphenols and unactivated internal diynes: a new synthetic route to functional heterocyclic polymers Polym. Chem., 2016, 7, 330 |
| 1540421 | CIF | C44 H56 Cl2 N2 O2 S2 | P 1 21/n 1 | 9.6299; 4.8972; 42.482 90; 95.129; 90 | 1995.4 | Zhao, Na; Ai, Na; Cai, Mian; Wang, Xiao; Pei, Jian; Wan, Xiaobo Thiophene-fused isoindigo based conjugated polymers for ambipolar organic field-effect transistors Polym. Chem., 2016, 7, 235 |
| 1540422 | CIF | C22 H27 Br Cl N O2 S | P -1 | 15.2293; 17.6141; 19.9261 110.314; 90.518; 114.615 | 4482.6 | Zhao, Na; Ai, Na; Cai, Mian; Wang, Xiao; Pei, Jian; Wan, Xiaobo Thiophene-fused isoindigo based conjugated polymers for ambipolar organic field-effect transistors Polym. Chem., 2016, 7, 235 |
| 1540423 | CIF | C22 H25 Br2 N O2 S2 Si | P -1 | 9.117; 9.259; 16.283 86.352; 86.17; 69.853 | 1286.3 | Liu, Lijie; Song, Jinsheng; Lu, Heng; Wang, Hua; Bo, Zhishan Novel dithienosilole-based conjugated copolymers and their application in bulk heterojunction solar cells Polym. Chem., 2016, 7, 319 |
| 1540424 | CIF | C20 H26 N2 S2 Si3 | P 1 21/c 1 | 12.979; 12.411; 15.532 90; 92.684; 90 | 2499 | Liu, Lijie; Song, Jinsheng; Lu, Heng; Wang, Hua; Bo, Zhishan Novel dithienosilole-based conjugated copolymers and their application in bulk heterojunction solar cells Polym. Chem., 2016, 7, 319 |
| 1540425 | CIF | C18 H14 N O4 | C 2 2 21 | 6.8797; 17.32; 26.023 90; 90; 90 | 3100.8 | Artuso, Emma; Ghibaudi, Elena; Lace, Beatrice; Marabello, Domenica; Vinciguerra, Daniele; Lombardi, Chiara; Koltai, Hinanit; Kapulnik, Yoram; Novero, Mara; Occhiato, Ernesto G.; Scarpi, Dina; Parisotto, Stefano; Deagostino, Annamaria; Venturello, Paolo; Mayzlish-Gati, Einav; Bier, Ariel; Prandi, Cristina Stereochemical Assignment of Strigolactone Analogues Confirms Their Selective Biological Activity. Journal of natural products, 2015, 78, 2624-2633 |
| 1540426 | CIF | C32 H32 O15 | P 21 21 21 | 7.0833; 13.9608; 31.0735 90; 90; 90 | 3072.81 | Wu, Guangwei; Yu, Guihong; Kurtán, Tibor; Mándi, Attila; Peng, Jixing; Mo, Xiaomei; Liu, Ming; Li, Hui; Sun, Xinhua; Li, Jing; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai Versixanthones A-F, Cytotoxic Xanthone-Chromanone Dimers from the Marine-Derived Fungus Aspergillus versicolor HDN1009. Journal of natural products, 2015, 78, 2691-2698 |
| 1540427 | CIF | C78 H96 Cl16 Fe2 N8 O18 | P 1 2/c 1 | 31.467; 9.589; 30.77 90; 91.556; 90 | 9281 | Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication Chem. Sci., 2016, 7, 1212 |
| 1540428 | CIF | C76 H92 Cl14 Fe4 N8 | P 1 21/n 1 | 15.165; 18.236; 15.623 90; 103.044; 90 | 4209 | Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication Chem. Sci., 2016, 7, 1212 |
| 1540429 | CIF | K2 S7 Sn3 | C m c m | 3.6831; 25.8877; 16.8155 90; 90; 90 | 1603.31 | Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G. K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions Chem. Sci., 2016, 7, 1121 |
| 1540430 | CIF | K1.92 S7.04 Sn3.04 | P 1 21/c 1 | 13.092; 16.882; 7.3748 90; 98.1; 90 | 1613.7 | Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G. K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions Chem. Sci., 2016, 7, 1121 |
| 1540431 | CIF | C72 H74 As N4 | P -1 | 10.8398; 16.34; 17.69 85.439; 75.15; 82.111 | 2996.8 | Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci., 2016, 7, 745 |
| 1540432 | CIF | C60 H62 As N3 P | P -1 | 10.6316; 12.8458; 20.4651 85.732; 82.704; 66.749 | 2546.3 | Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci., 2016, 7, 745 |
| 1540433 | CIF | C60 H62 As N3 P | P -1 | 10.6707; 12.7933; 20.5386 85.861; 82.563; 67.099 | 2560.3 | Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci., 2016, 7, 745 |
| 1540434 | CIF | C65.25 H71.25 As N3 P2 | P 1 21/c 1 | 24.123; 12.4043; 39.14 90; 106.871; 90 | 11207.8 | Hinz, Alexander; Schulz, Axel; Villinger, Alexander Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements Chem. Sci., 2016, 7, 745 |
| 1540435 | CIF | C29 H37 Ir O P2 S2 | P 1 21/c 1 | 13.5212; 15.0131; 16.025 90; 116.716; 90 | 2905.73 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540436 | CIF | C32.5 H40 Ir O2 P2 S2 | P -1 | 12.8155; 14.1374; 19.4358 105.409; 103.594; 93.729 | 3269 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540437 | CIF | C36 H44 Br Ir O P2 S2 | P 1 21/n 1 | 14.5417; 11.2071; 22.7055 90; 106.959; 90 | 3539.41 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540438 | CIF | C36 H44 Cl3 Ir P2 S2 | P 1 21/c 1 | 12.4862; 13.6671; 23.602 90; 118.383; 90 | 3543.52 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540439 | CIF | C31 H36 Cl F6 Ir O6 P2 S4 | C 1 2/c 1 | 29.3975; 17.9182; 23.5916 90; 122.649; 90 | 10463.3 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540440 | CIF | C31 H38 Cl F6 Ir O7 P2 S4 | C 1 2/c 1 | 27.4764; 20.4688; 18.4422 90; 112.874; 90 | 9556.4 | Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M. Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water Chem. Sci., 2016, 7, 921 |
| 1540441 | CIF | C15.19 H10.98 Ca O6 S | P 1 21/n 1 | 11.8013; 5.5827; 22.723 90; 100.092; 90 | 1473.9 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540442 | CIF | C14.6 H9.36 Ca O6 S | P 1 21/n 1 | 11.7292; 5.5685; 22.792 90; 100.493; 90 | 1463.7 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540443 | CIF | C14.63 H9.47 Ca O6 S | P 1 21/n 1 | 11.715; 5.5679; 22.8208 90; 100.532; 90 | 1463.48 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540444 | CIF | C15.58 H11.8 Ca O6 S | P 1 21/n 1 | 11.8767; 5.5769; 22.486 90; 99.893; 90 | 1467.2 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540445 | CIF | C14.5 H9.34 Ca O6 S | P 1 21/n 1 | 11.7073; 5.5647; 22.83 90; 100.586; 90 | 1462 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540446 | CIF | C15.31 H11.5 Ca O6 S | P 1 21/n 1 | 11.6426; 5.5574; 22.8446 90; 100.681; 90 | 1452.5 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540447 | CIF | C14.72 H9.79 Ca O6 S | P 1 21/n 1 | 11.6884; 5.5643; 22.8159 90; 100.691; 90 | 1458.14 | Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework Chem. Sci., 2016, 7, 759 |
| 1540448 | CIF | C16 H14 B N3 O4 | P 1 21/c 1 | 9.7329; 14.233; 11.6251 90; 106.694; 90 | 1542.5 | Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter, 2016, 12, 588-593 |
| 1540449 | CIF | C16 H15 B N2 O2 | P 1 21/n 1 | 8.0935; 8.3643; 20.7488 90; 94.35; 90 | 1400.57 | Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter, 2016, 12, 588-593 |
| 1540450 | CIF | C29 H27 B N2 O2 | P 21 21 21 | 6.049; 14.0088; 27.989 90; 90; 90 | 2371.8 | Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter, 2016, 12, 588-593 |
| 1540451 | CIF | C16 H13 B Cl2 N2 O2 | P 1 21/n 1 | 11.0667; 14.2602; 11.2083 90; 112.988; 90 | 1628.35 | Luisier, N.; Scopelliti, R.; Severin, K. Supramolecular gels based on boronate esters and imidazolyl donors. Soft matter, 2016, 12, 588-593 |
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