Crystallography Open Database
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COD ID  |
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Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7247341 | CIF | C44 H35 Fe N Ni O P2 S2 | P -1 | 10.7721; 13.5889; 13.8513 86.809; 74.723; 72.872 | 1868.64 | Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd. Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates CrystEngComm, 2023, 25, 5660-5672 |
| 7247342 | CIF | C44 H35 Fe N Ni O P2 S2 | P 1 21/n 1 | 14.3705; 17.2455; 16.2961 90; 101.34; 90 | 3959.77 | Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd. Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates CrystEngComm, 2023, 25, 5660-5672 |
| 7247343 | CIF | C89 H74 Fe2 N2 Ni2 O3 P4 S4 | P 1 21/n 1 | 13.944; 14.063; 19.8997 90; 104.471; 90 | 3778.4 | Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd. Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates CrystEngComm, 2023, 25, 5660-5672 |
| 7247344 | CIF | C38 H26 Cu N2 P S4 | C 1 2/c 1 | 25.212; 11.5626; 11.6676 90; 90.114; 90 | 3401.3 | Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra Cyano benzene functionalised Ni and Cu bisdithiolene complexes CrystEngComm, 2023, 25, 5362-5371 |
| 7247345 | CIF | C38 H26 N2 Ni P S4 | C 1 2/c 1 | 24.9983; 11.6753; 11.664 90; 90.396; 90 | 3404.2 | Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra Cyano benzene functionalised Ni and Cu bisdithiolene complexes CrystEngComm, 2023, 25, 5362-5371 |
| 7247346 | CIF | C62 H46 N2 Ni P2 S4 | P -1 | 9.6337; 10.8969; 13.2465 80.138; 89.456; 87.27 | 1368.48 | Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra Cyano benzene functionalised Ni and Cu bisdithiolene complexes CrystEngComm, 2023, 25, 5362-5371 |
| 7247347 | CIF | C38 H26 Cu N2 P S4 | P 1 21 1 | 7.7936; 15.7909; 14.0517 90; 95.771; 90 | 1720.55 | Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra Cyano benzene functionalised Ni and Cu bisdithiolene complexes CrystEngComm, 2023, 25, 5362-5371 |
| 7247348 | CIF | C62 H46 N2 Ni P2 S4 | P -1 | 13.5065; 14.3303; 14.8428 86.334; 77.455; 70.668 | 2646.1 | Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra Cyano benzene functionalised Ni and Cu bisdithiolene complexes CrystEngComm, 2023, 25, 5362-5371 |
| 7247349 | CIF | C64 H49 N3 Ni P2 S4 | P -1 | 11.2071; 12.4949; 20.7404 84.392; 80.941; 76.747 | 2785.96 | Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra Cyano benzene functionalised Ni and Cu bisdithiolene complexes CrystEngComm, 2023, 25, 5362-5371 |
| 7247350 | CIF | C62 H46 Cu N2 P2 S4 | P -1 | 13.5644; 14.4462; 14.8839 86.177; 76.389; 70.747 | 2675.92 | Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra Cyano benzene functionalised Ni and Cu bisdithiolene complexes CrystEngComm, 2023, 25, 5362-5371 |
| 7247351 | CIF | C62 H46 Cu N2 P2 S4 | P -1 | 9.6136; 10.9075; 13.3709 79.764; 89.324; 87.292 | 1378.21 | Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra Cyano benzene functionalised Ni and Cu bisdithiolene complexes CrystEngComm, 2023, 25, 5362-5371 |
| 7247352 | CIF | C30 H26 N2 O3 | P 1 21/n 1 | 10.2545; 11.784; 18.9397 90; 91.018; 90 | 2288.29 | Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light Green Chemistry, 2023, 25, 8074-8081 |
| 7247353 | CIF | C33 H28 N2 O | P 1 21/c 1 | 16.0365; 8.141; 19.083 90; 93.993; 90 | 2485.3 | Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light Green Chemistry, 2023, 25, 8074-8081 |
| 7247354 | CIF | C58 H52 N4 O4 | I 1 2/a 1 | 18.5654; 11.0141; 23.246 90; 104.797; 90 | 4595.73 | Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light Green Chemistry, 2023, 25, 8074-8081 |
| 7247355 | CIF | C29 H27 Br N2 O2 | P 1 21/c 1 | 18.9264; 10.15909; 12.951 90; 100.384; 90 | 2449.37 | Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light Green Chemistry, 2023, 25, 8074-8081 |
| 7247356 | CIF | C35 H32 N2 O | P 1 21/n 1 | 11.9969; 12.1767; 18.3724 90; 103.405; 90 | 2610.8 | Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light Green Chemistry, 2023, 25, 8074-8081 |
| 7247357 | CIF | C29 H26 N2 O2 | P 1 21/n 1 | 10.605; 11.8204; 17.9554 90; 92.512; 90 | 2248.64 | Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light Green Chemistry, 2023, 25, 8074-8081 |
| 7247358 | CIF | C11.76 H8.47 N0.94 O0.94 | P c a 21 | 9.1217; 17.3684; 23.9176 90; 90; 90 | 3789.25 | Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light Green Chemistry, 2023, 25, 8074-8081 |
| 7247359 | CIF | C29 H26 N2 O | C 1 2/c 1 | 24.6112; 10.2554; 36.0411 90; 99.385; 90 | 8974.9 | Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light Green Chemistry, 2023, 25, 8074-8081 |
| 7247360 | CIF | C10 H13 Cd N O5 | P 61 | 9.3792; 9.3792; 22.4879 90; 90; 120 | 1713.21 | Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K. Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects CrystEngComm, 2023, 25, 5428-5435 |
| 7247361 | CIF | C10 H13 Cd N O5 | P 65 | 9.3938; 9.3938; 22.5064 90; 90; 120 | 1719.96 | Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K. Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects CrystEngComm, 2023, 25, 5428-5435 |
| 7247362 | CIF | C39 H39 Cd3 N3 O15 | P 21 21 2 | 9.5668; 23.3692; 17.0992 90; 90; 90 | 3822.84 | Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K. Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects CrystEngComm, 2023, 25, 5428-5435 |
| 7247364 | CIF | C32 H77 Dy N O59 P7 W12 | P 1 21/c 1 | 25.615; 14.6148; 24.466 90; 113.576; 90 | 8394.5 | Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO CrystEngComm, 2023, 25, 5851-5860 |
| 7247365 | CIF | C32 H77 Ho N O59 P7 W12 | P 1 21/c 1 | 25.749; 14.669; 24.645 90; 113.558; 90 | 8532.9 | Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO CrystEngComm, 2023, 25, 5851-5860 |
| 7247366 | CIF | C32 H77 N O59 P7 Tm W12 | P 1 21/c 1 | 25.235; 14.4532; 24.186 90; 113.447; 90 | 8092.9 | Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO CrystEngComm, 2023, 25, 5851-5860 |
| 7247367 | CIF | C32 H77 N O59 P7 W12 Yb | P 1 21/c 1 | 25.633; 14.6214; 24.546 90; 113.451; 90 | 8439.7 | Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO CrystEngComm, 2023, 25, 5851-5860 |
| 7247368 | CIF | C32 H77 Er N O59 P7 W12 | P 1 21/c 1 | 25.703; 14.6812; 24.6 90; 113.535; 90 | 8510.7 | Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO CrystEngComm, 2023, 25, 5851-5860 |
| 7247369 | CIF | C32 H77 Lu N O59 P7 W12 | P 1 21/c 1 | 25.34; 14.4644; 24.289 90; 113.49; 90 | 8164.8 | Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO CrystEngComm, 2023, 25, 5851-5860 |
| 7247370 | CIF | C30 H38 N2 O16 U2 | P 1 21/n 1 | 19.7847; 10.1109; 35.7831 90; 90.6793; 90 | 7157.6 | Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination CrystEngComm, 2023, 25, 5748-5758 |
| 7247371 | CIF | C34 H32 N2 O24 U4 | P -1 | 11.6695; 12.5806; 14.2442 87.165; 88.3831; 84.6902 | 2079.07 | Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination CrystEngComm, 2023, 25, 5748-5758 |
| 7247372 | CIF | C36 H24 N2 O16 U2 | P -1 | 9.7035; 9.714; 10.6933 79.359; 75.201; 71.662 | 919.03 | Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination CrystEngComm, 2023, 25, 5748-5758 |
| 7247373 | CIF | C72 H90 N8 O54 U5 | P -1 | 11.3984; 11.401; 21.9898 88.8056; 79.8563; 60.8371 | 2449.37 | Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination CrystEngComm, 2023, 25, 5748-5758 |
| 7247374 | CIF | C8 H8 N4 O4 | P -1 | 7.0461; 7.5519; 9.8725 96.563; 102.071; 108.791 | 476.88 | Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B. A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate CrystEngComm, 2023, 25, 5413-5419 |
| 7247375 | CIF | C8 H8 N4 O4 | P c a 21 | 23.936; 5.1742; 7.7436 90; 90; 90 | 959.04 | Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B. A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate CrystEngComm, 2023, 25, 5413-5419 |
| 7247376 | CIF | C8 H8 N4 O4 | P -1 | 4.9852; 9.8017; 10.6338 67.729; 86.664; 83.011 | 477.23 | Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B. A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate CrystEngComm, 2023, 25, 5413-5419 |
| 7247383 | CIF | C23 H19 N O3 S | P -1 | 8.9531; 9.9751; 11.6032 81.655; 89.531; 72.972 | 979.7 | Xia, Wen; Yang, Yawen; Zhang, Xiaohui; Hu, Liangzhen; Xiong, Yan Electrochemical synthesis of γ-keto sulfones containing a β-quaternary carbon center via 1,2-migration Green Chemistry, 2023, 25, 8273-8279 |
| 7247384 | CIF | C25 H24 O3 S | P 1 21/c 1 | 14.1955; 11.0133; 13.4688 90; 99.284; 90 | 2078.1 | Xia, Wen; Yang, Yawen; Zhang, Xiaohui; Hu, Liangzhen; Xiong, Yan Electrochemical synthesis of γ-keto sulfones containing a β-quaternary carbon center via 1,2-migration Green Chemistry, 2023, 25, 8273-8279 |
| 7247393 | CIF | C28 H42 Cu3 I5 N4 | P -1 | 10.1442; 10.9745; 17.6401 86.956; 83.873; 88.591 | 1949.5 | Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand CrystEngComm, 2023, 25, 5722-5729 |
| 7247394 | CIF | C26 H36 Cu2 F2 I4 N4 | P 1 21/c 1 | 15.6992; 16.7737; 12.7912 90; 107.856; 90 | 3206.1 | Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand CrystEngComm, 2023, 25, 5722-5729 |
| 7247395 | CIF | C26 H36 Br2 Cu2 I4 N4 | P 1 21/c 1 | 16.3175; 16.9139; 12.8313 90; 107.318; 90 | 3380.8 | Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand CrystEngComm, 2023, 25, 5722-5729 |
| 7247396 | CIF | C26 H36 Cu4 I8 N4 | P -1 | 7.9774; 8.6192; 14.768 81.554; 85.562; 84.147 | 997.2 | Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand CrystEngComm, 2023, 25, 5722-5729 |
| 7247397 | CIF | C26 H36 Cl2 Cu2 I4 N4 | P 1 21/c 1 | 16.048; 16.8794; 12.8451 90; 107.618; 90 | 3316.29 | Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand CrystEngComm, 2023, 25, 5722-5729 |
| 7247398 | CIF | C24 H12 O21 Yb5 | P 1 21/c 1 | 9.82977; 22.43648; 13.79565 90; 108.608; 90 | 2883.51 | Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I. Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs CrystEngComm, 2023, 25, 5629-5640 |
| 7247399 | CIF | C12 H12 O9 Yb | P -1 | 7.7973; 9.4775; 10.6851 68.823; 70.748; 74.995 | 686.3 | Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I. Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs CrystEngComm, 2023, 25, 5629-5640 |
| 7247400 | CIF | C48 H36 O30 Yb4 | P b c a | 9.59605; 26.1011; 37.7873 90; 90; 90 | 9464.49 | Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I. Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs CrystEngComm, 2023, 25, 5629-5640 |
| 7247401 | CIF | C22 H20 N2 O8 S | P 1 21/c 1 | 13.989; 7.878; 19.624 90; 101.67; 90 | 2118 | Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety CrystEngComm, 2023, 25, 5461-5469 |
| 7247402 | CIF | C19 H14 N2 O8 S | P -1 | 8.3923; 8.5678; 12.9934 79.779; 75.701; 78.675 | 879.5 | Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety CrystEngComm, 2023, 25, 5461-5469 |
| 7247403 | CIF | C18 H20 N3 O8 S | P -1 | 8.4052; 9.4814; 13.366 102.279; 106.083; 94.691 | 988.8 | Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety CrystEngComm, 2023, 25, 5461-5469 |
| 7247404 | CIF | C26 H28 N4 O13 S3 | P -1 | 7.5645; 11.3096; 18.1129 95.837; 97.142; 99.33 | 1505.4 | Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety CrystEngComm, 2023, 25, 5461-5469 |
| 7247405 | CIF | C14 H13 N2 O5 S | P -1 | 5.6484; 8.1619; 15.8411 81.03; 85.54; 76.678 | 701.29 | Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety CrystEngComm, 2023, 25, 5461-5469 |
| 7247406 | CIF | C16 H42 Mo8 N40 O22 | C 1 2/m 1 | 18.2829; 20.7; 10.448 90; 102.276; 90 | 3863.7 | Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases CrystEngComm, 2023, 25, 5942-5950 |
| 7247407 | CIF | C16 H88 Mo16 N32 Na8 O77 | F d d d :2 | 14.99; 31.7213; 46.9852 90; 90; 90 | 22341.6 | Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases CrystEngComm, 2023, 25, 5942-5950 |
| 7247408 | CIF | C16 H47 Mo12 N32 Na4 O42 | P -1 | 11.8391; 11.9219; 25.7883 98.134; 97.651; 91.857 | 3566.31 | Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases CrystEngComm, 2023, 25, 5942-5950 |
| 7247409 | CIF | C36 H31 Mo6 N18 O16 | P -1 | 11.1739; 12.6845; 27.1349 83.745; 81.094; 84.215 | 3763.17 | Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases CrystEngComm, 2023, 25, 5942-5950 |
| 7247410 | CIF | C14 H22 N4 O11 | C 1 2/c 1 | 18.5643; 15.172; 13.1988 90; 104.662; 90 | 3596.5 | Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations CrystEngComm, 2023, 25, 5682-5696 |
| 7247411 | CIF | C14 H14 N4 O7 | P 1 21/c 1 | 7.9228; 6.33067; 29.1969 90; 95.122; 90 | 1458.57 | Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations CrystEngComm, 2023, 25, 5682-5696 |
| 7247412 | CIF | C14 H18 N4 O9 | C 1 2/c 1 | 27.746; 6.6694; 17.362 90; 92.936; 90 | 3208.6 | Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations CrystEngComm, 2023, 25, 5682-5696 |
| 7247413 | CIF | C16 H16 N4 O5 | P -1 | 8.8706; 9.1259; 11.3422 80.367; 69.633; 67.65 | 795.46 | Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations CrystEngComm, 2023, 25, 5682-5696 |
| 7247415 | CIF | C6 H7 N3 O4 | P 1 21/c 1 | 15.9305; 7.0439; 15.4405 90; 116.292; 90 | 1553.38 | Prohens, Rafel; Barbas, Rafael; de la Torre, Beatriz G.; Albericio, Fernando; Frontera, Antonio An experimental and computational investigation of the elusive anhydrous form of Oxyma-B CrystEngComm, 2023, 25, 5818-5826 |
| 7247418 | CIF | C50 H64 Dy2 N22 O18 W | C 1 2/c 1 | 27.0713; 9.526; 24.0085 90; 93.82; 90 | 6177.6 | Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands CrystEngComm, 2023, 25, 6030-6038 |
| 7247419 | CIF | C50 H64 Dy2 Mo N22 O18 | C 1 2/c 1 | 26.9939; 9.5351; 24.0996 90; 93.714; 90 | 6190 | Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands CrystEngComm, 2023, 25, 6030-6038 |
| 7247420 | CIF | C31 H39 Dy Mo N15 O16.5 | P -1 | 10.5532; 11.6027; 18.7684 92.524; 95.871; 108.109 | 2165.8 | Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands CrystEngComm, 2023, 25, 6030-6038 |
| 7247421 | CIF | C29 H48 Dy N15 O16.5 W | P -1 | 10.4246; 11.7295; 18.732 93.031; 95.698; 108.135 | 2157.4 | Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands CrystEngComm, 2023, 25, 6030-6038 |
| 7247422 | CIF | C18 H21 Cd N3 O7 S | P 1 21/n 1 | 11.7573; 11.5545; 15.8209 90; 106.604; 90 | 2059.6 | Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties CrystEngComm, 2023, 25, 5673-5681 |
| 7247423 | CIF | C23 H23 Cd N5 O7 S | P 1 21/n 1 | 11.5878; 17.7103; 13.2737 90; 114.676; 90 | 2475.3 | Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties CrystEngComm, 2023, 25, 5673-5681 |
| 7247424 | CIF | C16 H22 Cd N4 O6 S4 | P -1 | 5.73025; 8.1274; 12.86566 74.1108; 89.5736; 84.1958 | 573.204 | Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties CrystEngComm, 2023, 25, 5673-5681 |
| 7247425 | CIF | C62 H68 Cd2 N14 O20 S2 | P 1 21/c 1 | 7.364; 23.3599; 19.2032 90; 93.423; 90 | 3297.49 | Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties CrystEngComm, 2023, 25, 5673-5681 |
| 7247426 | CIF | C34 H88 Dy2 Fe4 N10 O32 | P -1 | 11.053; 11.22; 13.17 80.21; 80.56; 75.51 | 1546 | Liu, Shujing; Zou, Chen; Wang, Hanjie; Chen, Sihuai; Yuan, Jun; Jia, Lihui Synthesis, structures, and magnetic properties of butterfly-shaped hexanuclear [FeIII4LnIII2] single-molecule magnets CrystEngComm, 2023, 25, 5893-5899 |
| 7247427 | CIF | C34 H88 Fe4 N10 O32 Y2 | P -1 | 10.8225; 11.1813; 12.9331 79.542; 79.911; 75.815 | 1478.02 | Liu, Shujing; Zou, Chen; Wang, Hanjie; Chen, Sihuai; Yuan, Jun; Jia, Lihui Synthesis, structures, and magnetic properties of butterfly-shaped hexanuclear [FeIII4LnIII2] single-molecule magnets CrystEngComm, 2023, 25, 5893-5899 |
| 7247429 | CIF | C29 H17 N S | P b c a | 15.7355; 8.0029; 31.7701 90; 90; 90 | 4000.8 | Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane CrystEngComm, 2023, 25, 5802-5809 |
| 7247430 | CIF | C29 H17 N S | P 1 21/c 1 | 13.152; 14.0836; 12.0152 90; 115.009; 90 | 2016.88 | Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane CrystEngComm, 2023, 25, 5802-5809 |
| 7247431 | CIF | C29 H17 N S | P 21 21 21 | 7.731; 8.1036; 32.103 90; 90; 90 | 2011.2 | Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane CrystEngComm, 2023, 25, 5802-5809 |
| 7247432 | CIF | C17 H18 S | P 21 21 21 | 9.4617; 11.8672; 13.219 90; 90; 90 | 1484.28 | Mukherjee, Nilanjana; Chatterjee, Tanmay Recyclable iodine-catalyzed oxidative C–H chalcogenation of 1,1-diarylethenes in water: green synthesis of trisubstituted vinyl sulfides and selenides Green Chemistry, 2023, 25, 8798-8807 |
| 7247433 | CIF | C16 H16 O3 S | P -1 | 8.19; 10.9737; 16.0251 92.841; 98.85; 91.328 | 1420.66 | Mei, Lan; Shu, Xiao-Rong; Liu, Fa-Liang; Li, Jiao-Zhe; Zhang, Jian-Feng; Tang, Keqi; Wei, Wen-Ting Multicomponent hydrosulfonylation of alkynes for the synthesis of vinyl sulfones Green Chemistry, 2023, 25, 8820-8825 |
| 7247437 | CIF | C29 H31 Cl2 Co I O3 P S | P 1 21 1 | 10.7008; 13.6759; 11.2342 90; 113.51; 90 | 1507.58 | Ma, Shuang-Shuang; Sun, Rui; Zhang, Zi-Heng; Guan, Peng-Xin; Lin, Jin-Qing; Li, Chun-Shan; Xu, Bao-Hua Co(dppbsa)-catalyzed reductive N,N-dimethylation of nitroaromatics with CO2 and hydrosilane Green Chemistry, 2023, 25, 8625-8632 |
| 7247438 | CIF | C35 H19 N7 | P -1 | 9.8862; 11.8127; 12.3102 93.827; 93.94; 111.868 | 1324.38 | Abou Taka, Ali; Reynolds, 3rd, Joseph E; Cole-Filipiak, Neil C; Shivanna, Mohana; Yu, Christine J.; Feng, Patrick; Allendorf, Mark D.; Ramasesha, Krupa; Stavila, Vitalie; McCaslin, Laura M. Comparing the structures and photophysical properties of two charge transfer co-crystals. Physical chemistry chemical physics : PCCP, 2023, 25, 27065-27074 |
| 7247439 | CIF | C27 H15 N5 | P 1 21/c 1 | 6.7312; 36.6599; 9.515 90; 106.283; 90 | 2253.79 | Abou Taka, Ali; Reynolds, 3rd, Joseph E; Cole-Filipiak, Neil C; Shivanna, Mohana; Yu, Christine J.; Feng, Patrick; Allendorf, Mark D.; Ramasesha, Krupa; Stavila, Vitalie; McCaslin, Laura M. Comparing the structures and photophysical properties of two charge transfer co-crystals. Physical chemistry chemical physics : PCCP, 2023, 25, 27065-27074 |
| 7247442 | CIF | C18 H12 Cl2 N2 O | P 21 21 21 | 7.0782; 12.8899; 17.2503 90; 90; 90 | 1573.9 | Dubey, Ritesh; Singh, Sandeep Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures CrystEngComm, 2023, 25, 5697-5705 |
| 7247443 | CIF | C22 H16 Cl4 N2 O2 | P 1 21/c 1 | 11.404; 12.721; 15.241 90; 109.811; 90 | 2080 | Dubey, Ritesh; Singh, Sandeep Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures CrystEngComm, 2023, 25, 5697-5705 |
| 7247444 | CIF | C18 H12 Cl2 N2 O | P 1 21/c 1 | 22.923; 11.7148; 11.64 90; 92.091; 90 | 3123.7 | Dubey, Ritesh; Singh, Sandeep Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures CrystEngComm, 2023, 25, 5697-5705 |
| 7247445 | CIF | C22 H16 Cl4 N2 O2 | C 1 2/c 1 | 18.809; 3.8575; 29.184 90; 98.486; 90 | 2094.3 | Dubey, Ritesh; Singh, Sandeep Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures CrystEngComm, 2023, 25, 5697-5705 |
| 7247446 | CIF | C16 H12 Cl2 N2 O | P 1 21/c 1 | 10.5285; 7.097; 19.468 90; 99.747; 90 | 1433.7 | Dubey, Ritesh; Singh, Sandeep Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures CrystEngComm, 2023, 25, 5697-5705 |
| 7247447 | CIF | C22 H16 Cl4 N2 O2 | P 1 21/n 1 | 10.3339; 7.2993; 14.544 90; 104.972; 90 | 1059.8 | Dubey, Ritesh; Singh, Sandeep Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures CrystEngComm, 2023, 25, 5697-5705 |
| 7247448 | CIF | C22 H16 Cl4 N2 O2 | P 1 21/c 1 | 5.789; 14.243; 12.602 90; 98.64; 90 | 1027 | Dubey, Ritesh; Singh, Sandeep Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures CrystEngComm, 2023, 25, 5697-5705 |
| 7247449 | CIF | C18 H12 Cl2 N2 O | P 1 21/n 1 | 10.5269; 12.0193; 13.2546 90; 113.08; 90 | 1542.8 | Dubey, Ritesh; Singh, Sandeep Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures CrystEngComm, 2023, 25, 5697-5705 |
| 7247450 | CIF | C22 H16 Cl4 N2 O2 | P -1 | 7.4028; 7.9597; 9.349 100.674; 94.021; 100.27 | 529.64 | Dubey, Ritesh; Singh, Sandeep Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures CrystEngComm, 2023, 25, 5697-5705 |
| 7247451 | CIF | C18 H12 Cl2 N2 O | P 1 21 1 | 3.8427; 17.047; 11.6457 90; 97.752; 90 | 755.9 | Dubey, Ritesh; Singh, Sandeep Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures CrystEngComm, 2023, 25, 5697-5705 |
| 7247452 | CIF | C24 H16 Cl4 N2 O2 | P -1 | 7.9894; 9.4955; 15.762 85.572; 79.226; 71.653 | 1114.8 | Dubey, Ritesh; Singh, Sandeep Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures CrystEngComm, 2023, 25, 5697-5705 |
| 7247453 | CIF | C22 H16 Cl4 N2 O2 | P 43 21 2 | 8.0784; 8.0784; 32.831 90; 90; 90 | 2142.6 | Dubey, Ritesh; Singh, Sandeep Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures CrystEngComm, 2023, 25, 5697-5705 |
| 7247454 | CIF | C18 H12 Cl2 N2 O | P -1 | 8.127; 8.5365; 11.656 75.042; 86.122; 78.916 | 766.5 | Dubey, Ritesh; Singh, Sandeep Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures CrystEngComm, 2023, 25, 5697-5705 |
| 7247455 | CIF | C25 H24 Mn N4 O5 | C 1 2/c 1 | 20.8278; 14.7244; 7.739 90; 93.831; 90 | 2368.07 | Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J. Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers CrystEngComm, 2023, 25, 6539-6548 |
| 7247456 | CIF | C10.5 H9 Mn0.5 N2 O3 | I 1 2/a 1 | 20.3665; 4.5514; 21.1136 90; 101.761; 90 | 1916.06 | Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J. Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers CrystEngComm, 2023, 25, 6539-6548 |
| 7247457 | CIF | C24 H29 Mn2 N10 O13 | P n m a | 22.1459; 12.0673; 12.5517 90; 90; 90 | 3354.33 | Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J. Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers CrystEngComm, 2023, 25, 6539-6548 |
| 7247458 | CIF | C9 H11 Mn N4 O6.5 | P n n m | 11.4647; 15.947; 13.4871 90; 90; 90 | 2465.81 | Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J. Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers CrystEngComm, 2023, 25, 6539-6548 |
| 7247459 | CIF | C9 H10 Mn N4 O6 | C 1 c 1 | 14.414; 10.48; 7.74 90; 105.64; 90 | 1125.9 | Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J. Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers CrystEngComm, 2023, 25, 6539-6548 |
| 7247460 | CIF | C21 H23 Mn2 N9 O11 | C 1 m 1 | 12.318; 12.9645; 9.0482 90; 107.377; 90 | 1379 | Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J. Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers CrystEngComm, 2023, 25, 6539-6548 |
| 7247461 | CIF | C23.5 H18.83 Mn N4.83 O4.83 | C 1 2/c 1 | 23.2881; 10.4868; 24.8587 90; 114.461; 90 | 5526 | Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J. Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers CrystEngComm, 2023, 25, 6539-6548 |
| 7247462 | CIF | C26 H36 Mn2 N8 O12 | P 1 21/c 1 | 9.1364; 16.5273; 21.5295 90; 101.798; 90 | 3182.28 | Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J. Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers CrystEngComm, 2023, 25, 6539-6548 |
| 7247463 | CIF | Cl4 Co7.38 Na O16 P4 | I -4 2 m | 9.115; 9.115; 10.2056 90; 90; 90 | 847.91 | Yakubovich, Olga; Kiriukhina, Galina; Simonov, Sergei; Volkov, Anatoliy; Dimitrova, Olga NaCo7.38(PO4)4Cl4 in a series of homeotype compounds with stable cationic substructures derived from the sulphohalite archetype CrystEngComm, 2023, 25, 6006-6016 |
| 7247464 | CIF | C16 H11 N7 O11 | P 1 21/c 1 | 26.806; 7.7681; 20.357 90; 112.251; 90 | 3923.3 | Zhang, Rongzheng; Xu, Yuangang; Yang, Feng; Wang, Pengcheng; Lin, Qiuhan; Huang, Hui; Lu, Ming Synthesis, characterization and properties of new heat resistant energetic materials based on two C–C bridged pyrazole and benzene skeletons CrystEngComm, 2023, 25, 5827-5833 |
| 7247465 | CIF | C14 H12 N10 O14 | P -1 | 6.2299; 7.4168; 12.7696 103.819; 90.179; 95.701 | 569.9 | Zhang, Rongzheng; Xu, Yuangang; Yang, Feng; Wang, Pengcheng; Lin, Qiuhan; Huang, Hui; Lu, Ming Synthesis, characterization and properties of new heat resistant energetic materials based on two C–C bridged pyrazole and benzene skeletons CrystEngComm, 2023, 25, 5827-5833 |
| 7247467 | CIF | C10 H10 O3 | P 1 21/c 1 | 15.3694; 5.216; 22.3953 90; 97.797; 90 | 1778.76 | Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid CrystEngComm, 2023, 25, 5932-5941 |
| 7247468 | CIF | C10 H10 O3 | P 1 21/n 1 | 12.7762; 5.23515; 14.4736 90; 111.409; 90 | 901.27 | Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid CrystEngComm, 2023, 25, 5932-5941 |
| 7247469 | CIF | C10 H10 O3 | P 1 21/n 1 | 12.8223; 5.245; 14.5064 90; 111.569; 90 | 907.28 | Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid CrystEngComm, 2023, 25, 5932-5941 |
| 7247470 | CIF | C10 H10 O3 | P 1 21/n 1 | 12.8072; 5.24245; 14.4951 90; 111.513; 90 | 905.42 | Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid CrystEngComm, 2023, 25, 5932-5941 |
| 7247471 | CIF | C10 H10 O3 | P 1 21/n 1 | 12.747; 5.22886; 14.4507 90; 111.302; 90 | 897.37 | Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid CrystEngComm, 2023, 25, 5932-5941 |
| 7247472 | CIF | C10 H10 O3 | P 1 21/n 1 | 12.7632; 5.23201; 14.4635 90; 111.364; 90 | 899.46 | Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid CrystEngComm, 2023, 25, 5932-5941 |
| 7247473 | CIF | C10 H10 O3 | P 1 21/c 1 | 15.4013; 5.2236; 22.451 90; 97.71; 90 | 1789.86 | Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid CrystEngComm, 2023, 25, 5932-5941 |
| 7247474 | CIF | C10 H10 O3 | P 1 21/c 1 | 15.3811; 5.21845; 22.4123 90; 97.767; 90 | 1782.43 | Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid CrystEngComm, 2023, 25, 5932-5941 |
| 7247475 | CIF | C10 H10 O3 | P 1 21/c 1 | 15.3909; 5.22159; 22.4298 90; 97.735; 90 | 1786.17 | Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid CrystEngComm, 2023, 25, 5932-5941 |
| 7247476 | CIF | C10 H10 O3 | P 1 21/n 1 | 12.7932; 5.23468; 14.4811 90; 111.423; 90 | 902.77 | Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid CrystEngComm, 2023, 25, 5932-5941 |
| 7247477 | CIF | C10 H10 O3 | P 1 21/c 1 | 15.4043; 5.2267; 22.4631 90; 97.697; 90 | 1792.29 | Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid CrystEngComm, 2023, 25, 5932-5941 |
| 7247478 | CIF | C7 H8 O6 | P -1 | 7.1034; 7.4941; 15.5567 100.593; 91.274; 111.564 | 753.39 | Ghouari, Nasreddine; Benali-Cherif, Rim; Takouachet, Radhwane; Falek, Wahiba; Missaoui, Djallila; Rahmouni, Ali; Bendeif, El-Eulmi; Benali-Cherif, Nourredine Crystal engineering of a new pharmaceutical polymorph of gallic acid monohydrate: a structural comparative study and chemical computational quantum investigations CrystEngComm, 2023, 25, 6279-6290 |
| 7247479 | CIF | C20 H23 N5 O4 | P 1 21/n 1 | 11.4448; 8.3202; 20.9237 90; 104.738; 90 | 1926.87 | Liu, Mengjia; He, Ying; Wojtas, Lukasz; Shi, Xiaodong Design and synthesis of covalently tethered “isoG-star” as a recyclable host for selective cesium separation Green Chemistry, 2023, 25, 8494-8499 |
| 7247480 | CIF | C32.05 H47.58 N5 O8.68 Si | C 1 2 1 | 44.243; 19.9018; 17.7791 90; 110.985; 90 | 14616.5 | Liu, Mengjia; He, Ying; Wojtas, Lukasz; Shi, Xiaodong Design and synthesis of covalently tethered “isoG-star” as a recyclable host for selective cesium separation Green Chemistry, 2023, 25, 8494-8499 |
| 7247481 | CIF | C36 H42 N8 O6 | P 1 21/n 1 | 13.6491; 16.3995; 15.8476 90; 102.302; 90 | 3465.8 | Cai, Zhen-an; Du, Jing; Huang, Tiefan; Ding, Yanjun; Wu, Mingzai Chloroform-selective vapochromic behavior based on crystal-state host–guest complexation of an organic cage CrystEngComm, 2023, 25, 5778-5781 |
| 7247482 | CIF | C38 H44 Cl6 N8 O6 | I 1 2/a 1 | 16.4758; 14.6068; 19.2419 90; 114.749; 90 | 4205.4 | Cai, Zhen-an; Du, Jing; Huang, Tiefan; Ding, Yanjun; Wu, Mingzai Chloroform-selective vapochromic behavior based on crystal-state host–guest complexation of an organic cage CrystEngComm, 2023, 25, 5778-5781 |
| 7247486 | CIF | C H F O S | P 1 21/c 1 | 15.093; 8.0955; 20.7666 90; 105.204; 90 | 2448.56 | Li, Jiayu; Guo, Zipeng; Zhang, Xiaofeng; Meng, Xiaoli; Dai, Zhenyang; Gao, Meiyun; Guo, Shuo; Tang, Pingping Light-induced aryldifluoromethyl-sulfonylation/thioetherification of alkenes using arenethiolates as a photoreductant and sulfur source Green Chemistry, 2023, 25, 9292-9300 |
| 7247487 | CIF | C12 H18.86 F6 N Na O9 S2 | C 1 2/c 1 | 29.1334; 8.9809; 18.4512 90; 113.468; 90 | 4428.3 | Kobayashi, Akira; Yamagami, Jun; Ranjan, Subham; Takamizawa, Satoshi; Honda, Hisashi Solid state <sup>1</sup>H, <sup>7</sup>Li, and <sup>13</sup>C NMR studies on new ionic plastic crystals of crown ether-Li-TFSA complexes. Physical chemistry chemical physics : PCCP, 2023, 25, 27836-27847 |
| 7247488 | CIF | C12 H20 F6 N Na O9 S2 | C 1 2/c 1 | 29.292; 9.039; 18.545 90; 113.231; 90 | 4512 | Kobayashi, Akira; Yamagami, Jun; Ranjan, Subham; Takamizawa, Satoshi; Honda, Hisashi Solid state <sup>1</sup>H, <sup>7</sup>Li, and <sup>13</sup>C NMR studies on new ionic plastic crystals of crown ether-Li-TFSA complexes. Physical chemistry chemical physics : PCCP, 2023, 25, 27836-27847 |
| 7247489 | CIF | C20 H22 B F24 N O4 | P -1 | 8.6128; 11.9192; 14.6382 93.623; 94.957; 93.773 | 1490.27 | Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega Fluoroborate ionic liquids as sodium battery electrolytes. Physical chemistry chemical physics : PCCP, 2023, 25, 27718-27730 |
| 7247490 | CIF | C17 H30 B F12 O4 P | P -1 | 9.0301; 9.92; 14.9196 85.444; 80.521; 77.435 | 1285.34 | Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega Fluoroborate ionic liquids as sodium battery electrolytes. Physical chemistry chemical physics : PCCP, 2023, 25, 27718-27730 |
| 7247491 | CIF | C16 H26 B F12 N O4 | P 1 21/c 1 | 17.6281; 18.6841; 28.371 90; 96.401; 90 | 9286.17 | Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega Fluoroborate ionic liquids as sodium battery electrolytes. Physical chemistry chemical physics : PCCP, 2023, 25, 27718-27730 |
| 7247493 | CIF | C40 H50 Ag3 Cl4 F18 N2 P3 S8 | P b c m | 10.9437; 21.7335; 25.2207 90; 90; 90 | 5998.61 | Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode CrystEngComm, 2023, 25, 6096-6101 |
| 7247494 | CIF | C25 H31 Ag2 F6 N O6 S4 | P 1 21 1 | 11.5778; 12.0547; 12.4212 90; 111.23; 90 | 1615.94 | Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode CrystEngComm, 2023, 25, 6096-6101 |
| 7247495 | CIF | C43 H48 Ag4 Cl2 F12 N2 O12 S12 | C 1 2/c 1 | 24.3861; 10.5716; 24.9876 90; 106.3; 90 | 6182.9 | Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode CrystEngComm, 2023, 25, 6096-6101 |
| 7247496 | CIF | C20 H12 N2 S | P 1 21/c 1 | 11.3392; 5.6836; 24.2274 90; 93.381; 90 | 1558.68 | Pradhan, Asit Kumar; Ray, Manaswini; Parthasarathy, Venkatakrishnan; Mishra, Ashok Kumar Effects of donor and acceptor substituents on the photophysics of 4-ethynyl-2,1,3-benzothiadiazole derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 29327-29340 |
| 7247497 | CIF | C18 H16 N2 S | P 1 21/c 1 | 18.867; 10.278; 8.239 90; 92.057; 90 | 1596.6 | Pradhan, Asit Kumar; Ray, Manaswini; Parthasarathy, Venkatakrishnan; Mishra, Ashok Kumar Effects of donor and acceptor substituents on the photophysics of 4-ethynyl-2,1,3-benzothiadiazole derivatives. Physical chemistry chemical physics : PCCP, 2023, 25, 29327-29340 |
| 7247498 | CIF | C48 H35.787 O2 Si2 | P 1 21 1 | 11.19827; 27.60749; 18.08478 90; 90.5504; 90 | 5590.76 | Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki Probing local structure of glass with orientation-dependent luminescence. Physical chemistry chemical physics : PCCP, 2023, 25, 28113-28118 |
| 7247499 | CIF | C40 H32 O2 Si2 | P -1 | 10.4534; 12.101; 13.6441 110.811; 104.524; 95.283 | 1530.15 | Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki Probing local structure of glass with orientation-dependent luminescence. Physical chemistry chemical physics : PCCP, 2023, 25, 28113-28118 |
| 7247500 | CIF | C48 H36 O2 Si2 | P 1 21/n 1 | 11.2799; 17.2391; 18.9684 90; 102.339; 90 | 3603.3 | Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki Probing local structure of glass with orientation-dependent luminescence. Physical chemistry chemical physics : PCCP, 2023, 25, 28113-28118 |
| 7247501 | CIF | C48 H36 O2 Si2 | P 1 | 11.5209; 11.6461; 28.3488 90.306; 91.906; 101.613 | 3723.5 | Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki Probing local structure of glass with orientation-dependent luminescence. Physical chemistry chemical physics : PCCP, 2023, 25, 28113-28118 |
| 7247510 | CIF | C18 H21 N O5 | P 1 21/n 1 | 5.78002; 18.6163; 15.854 90; 95.564; 90 | 1697.89 | Zhao, Tian-Tian; Zhang, Xu-Gang; He, Wen-Bo; Xu, Peng-Fei A novel approach for synthesizing α-amino acids via formate mediated hydrogen transfer using a carbon source Green Chemistry, 2023, 25, 8539-8543 |
| 7247511 | CIF | C21 H18 Cl N O2 | P 1 21/n 1 | 10.4508; 12.4654; 14.1577 90; 99.135; 90 | 1820.98 | Zhao, Tian-Tian; Zhang, Xu-Gang; He, Wen-Bo; Xu, Peng-Fei A novel approach for synthesizing α-amino acids via formate mediated hydrogen transfer using a carbon source Green Chemistry, 2023, 25, 8539-8543 |
| 7247514 | CIF | C26 H15 N O | P 1 21/c 1 | 7.687; 16.132; 14.951 90; 100.35; 90 | 1823.9 | Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism CrystEngComm, 2023, 25, 6303-6309 |
| 7247515 | CIF | C54 H33 Cl N2 | P n a 21 | 16.899; 5.502; 41.337 90; 90; 90 | 3843.4 | Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism CrystEngComm, 2023, 25, 6303-6309 |
| 7247516 | CIF | C27 H17 N | P 1 21/c 1 | 20.818; 5.388; 17.241 90; 107.1; 90 | 1848.4 | Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism CrystEngComm, 2023, 25, 6303-6309 |
| 7247517 | CIF | C33 H35 N5 O4 | P -1 | 7.1203; 12.9924; 16.795 90.201; 98.985; 98.48 | 1517.3 | Kang, Yanlei; Chen, Jiahui; Hu, Xiurong; Jiang, Yunliang; Li, Zhong A cocrystal prediction method of graph neural networks based on molecular spatial information and global attention CrystEngComm, 2023, 25, 6405-6415 |
| 7247520 | CIF | C23 H19 F N2 O11 | P -1 | 9.231; 11.1587; 11.8072 109.53; 108.436; 100.043 | 1032.67 | Zhang, Min; Gu, Dai-Lin; Zhen, Jian-Feng; Lu, Tong-Bu; Dai, Xia-Lin; Chen, Jia-Mei A novel drug–drug cocrystal of tegafur and myricetin: optimized properties of dissolution and tabletability CrystEngComm, 2023, 25, 6171-6179 |
| 7247522 | CIF | C144 H96 Ag9 Br24 Cl3 P8 Pt | R -3 :H | 19.102; 19.102; 90.1075 90; 90; 120 | 28474.1 | Wang, Meng; Li, Simin; Tang, Xiongkai; Zuo, Dongjie; Jia, Yanyuan; Guo, Shuo; Guan, Zong-Jie; Shen, Hui One-step preparation of Pt/Ag nanoclusters for CO<sub>2</sub> transformation. Physical chemistry chemical physics : PCCP, 2023, 25, 30373-30380 |
| 7247523 | CIF | C16 H32 F6 Li O8 P S4 | P 1 21/n 1 | 16.7168; 8.3892; 19.5667 90; 100.287; 90 | 2699.94 | Ugata, Yosuke; Chen, Yichuan; Miyazaki, Shuhei; Sasagawa, Shohei; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru High-concentration LiPF<sub>6</sub>/sulfone electrolytes: structure, transport properties, and battery application. Physical chemistry chemical physics : PCCP, 2023, 25, 29566-29575 |
| 7247524 | CIF | C5 H8 F3 Li O5 S2 | I 1 2/a 1 | 8.5408; 23.905; 10.7593 90; 91.014; 90 | 2196.4 | Ugata, Yosuke; Chen, Yichuan; Miyazaki, Shuhei; Sasagawa, Shohei; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru High-concentration LiPF<sub>6</sub>/sulfone electrolytes: structure, transport properties, and battery application. Physical chemistry chemical physics : PCCP, 2023, 25, 29566-29575 |
| 7247529 | CIF | C20 H20 O6 S | P b c n | 13.8459; 10.3707; 26.6399 90; 90; 90 | 3825.27 | Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes Green Chemistry, 2023, 25, 9086-9091 |
| 7247530 | CIF | C25 H24 O4 S | P -1 | 9.6633; 10.4825; 11.2824 84.233; 68.85; 83.784 | 1057.28 | Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes Green Chemistry, 2023, 25, 9086-9091 |
| 7247531 | CIF | C24 H0.25 O4 S | P 1 21/n 1 | 12.5068; 10.9444; 15.0198 90; 99.867; 90 | 2025.49 | Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes Green Chemistry, 2023, 25, 9086-9091 |
| 7247532 | CIF | C20 H22 O6 S | P -1 | 5.7239; 16.0544; 20.5787 94.727; 94.995; 90.152 | 1877.37 | Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes Green Chemistry, 2023, 25, 9086-9091 |
| 7247533 | CIF | C18 H18 O4 S | P 1 21/c 1 | 19.6119; 16.7818; 10.1615 90; 92.942; 90 | 3339.98 | Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes Green Chemistry, 2023, 25, 9086-9091 |
| 7247534 | CIF | C15 H16 I N2 O2 | P 1 21/c 1 | 8.4502; 21.4984; 8.7348 90; 105.103; 90 | 1532 | Shurikov, Matvey K.; Tretyakov, Evgeny V.; Petunin, Pavel V.; Votkina, Darya E.; Romanenko, Galina V.; Bogomyakov, Artem S.; Burguera, Sergi; Frontera, Antonio; Kukushkin, Vadim Yu.; Postnikov, Pavel S. Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding CrystEngComm, 2023, 25, 6152-6161 |
| 7247535 | CIF | C15 H16 I N2 O2 | P -1 | 9.7329; 12.393; 14.382 78.384; 72.269; 72.195 | 1562 | Shurikov, Matvey K.; Tretyakov, Evgeny V.; Petunin, Pavel V.; Votkina, Darya E.; Romanenko, Galina V.; Bogomyakov, Artem S.; Burguera, Sergi; Frontera, Antonio; Kukushkin, Vadim Yu.; Postnikov, Pavel S. Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding CrystEngComm, 2023, 25, 6152-6161 |
| 7247536 | CIF | C54 H46 N4 | P -1 | 9.0392; 9.0518; 13.7313 76.202; 74.883; 67.225 | 988.05 | Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C. The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines CrystEngComm, 2023, 25, 6317-6328 |
| 7247537 | CIF | C54 H50 N4 | P -1 | 8.9716; 9.2886; 13.8221 75.212; 76.005; 66.684 | 1009.8 | Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C. The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines CrystEngComm, 2023, 25, 6317-6328 |
| 7247538 | CIF | C56 H50 N4 | P -1 | 8.7173; 11.2718; 12.6826 108.163; 105.764; 104.337 | 1061.65 | Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C. The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines CrystEngComm, 2023, 25, 6317-6328 |
| 7247539 | CIF | C106 H101 N7 | P 1 21/c 1 | 9.0013; 26.7346; 9.0416 90; 114.066; 90 | 1986.7 | Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C. The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines CrystEngComm, 2023, 25, 6317-6328 |
| 7247540 | CIF | C56 H50 N4 | P -1 | 8.9471; 9.974; 13.4375 73.488; 75.543; 74.301 | 1087.2 | Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C. The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines CrystEngComm, 2023, 25, 6317-6328 |
| 7247541 | CIF | C10 H12 B F O4 Si | P 1 21/n 1 | 13.3215; 6.9213; 13.3412 90; 105.928; 90 | 1182.9 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247542 | CIF | C9 H10 B F3 O2 Si | P 1 21/c 1 | 8.3772; 11.1912; 12.2672 90; 102.988; 90 | 1120.64 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247543 | CIF | C9 H9 B F N O2 Si | P 1 21/c 1 | 9.9043; 9.509; 12.4382 90; 108.389; 90 | 1111.61 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247544 | CIF | C9 H10 B F O3 Si | P 1 21/m 1 | 7.5415; 6.9154; 10.0942 90; 95.474; 90 | 524.04 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247545 | CIF | C8 H10 B Cl O2 Si | P 1 21/n 1 | 14.5174; 10.1711; 14.6098 90; 95.774; 90 | 2146.31 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247546 | CIF | C9 H10 B N O2 Si | P 1 21/c 1 | 13.6654; 18.404; 8.4758 90; 96.021; 90 | 2119.89 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247547 | CIF | C8 H10 B F O2 Si | P n a 21 | 8.9458; 10.0166; 25.8341 90; 90; 90 | 2314.9 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247548 | CIF | C9 H10 B F3 O2 Si | P 1 21/n 1 | 14.0599; 10.9765; 14.9951 90; 94.876; 90 | 2305.8 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247549 | CIF | C11 H18 B2 O5 Si | P 1 21/c 1 | 7.0678; 16.2162; 12.8481 90; 97.58; 90 | 1459.69 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247550 | CIF | C8 H10 B Br O2 Si | I 41/a :2 | 15.6371; 15.6371; 17.646 90; 90; 90 | 4314.78 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247551 | CIF | C8 H10 B Cl O2 Si | I 41/a :2 | 15.507; 15.507; 17.3326 90; 90; 90 | 4167.92 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247552 | CIF | C9 H11 B O3 Si | I 41/a :2 | 15.5827; 15.5827; 17.2392 90; 90; 90 | 4186.03 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247553 | CIF | C8 H9 B Cl2 O2 Si | P 1 21/n 1 | 12.917; 9.3267; 18.3757 90; 91.43; 90 | 2213.09 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247554 | CIF | C8 H9 B F2 O2 Si | P -1 | 7.0164; 12.3417; 18.5513 93.405; 93.926; 105.818 | 1536.87 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247555 | CIF | C8 H10 B F O2 Si | P 1 21/n 1 | 8.5329; 17.0749; 13.9049 90; 101.787; 90 | 1983.2 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247556 | CIF | C9 H9 B F2 O3 Si | P -1 | 6.9101; 8.4399; 10.1501 86.142; 72.322; 70.59 | 531.58 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247557 | CIF | C8 H9 B F2 O2 Si | P 1 21/n 1 | 14.4016; 8.5877; 25.338 90; 95.665; 90 | 3118.4 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247558 | CIF | C8 H10 B I O2 Si | P b c a | 6.6288; 11.6079; 29.9883 90; 90; 90 | 2307.49 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247559 | CIF | C11 H19 B O2 Si2 | P -1 | 8.616; 9.8164; 17.2931 103.181; 93.671; 100.986 | 1389.12 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247560 | CIF | C9 H10 B F3 O2 Si | I 41/a :2 | 15.8197; 15.8197; 18.3035 90; 90; 90 | 4580.69 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247561 | CIF | C8 H9 B F2 O2 Si | P 1 21/c 1 | 8.3266; 6.6782; 18.9086 90; 96.84; 90 | 1043.96 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247562 | CIF | C8 H10 B F O2 Si | I 41/a :2 | 15.3391; 15.3391; 16.9322 90; 90; 90 | 3983.94 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247563 | CIF | C11 H15 B O4 Si | P 1 21/n 1 | 11.1355; 10.6673; 12.051 90; 112.31; 90 | 1324.3 | Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles CrystEngComm, 2023, 25, 6329-6342 |
| 7247564 | CIF | C17 H16 Mn0.5 N4 O3 | P -1 | 7.9293; 8.574; 11.9825 81.591; 88.173; 89.232 | 805.44 | Das, Chhatan; Debnath, Subhrajyoti; Patel, Vishwas D.; Gupta, Dhritiman; Banerjee, Anjan; Mahata, Partha Differential supercapacitor and Schottky diode behaviours in two new isostructural coordination polymers based on redox active metal ions CrystEngComm, 2023, 25, 6343-6353 |
| 7247565 | CIF | C17 H16 Fe0.5 N4 O3 | P -1 | 7.9266; 8.5888; 11.8991 82.016; 87.908; 89.364 | 801.69 | Das, Chhatan; Debnath, Subhrajyoti; Patel, Vishwas D.; Gupta, Dhritiman; Banerjee, Anjan; Mahata, Partha Differential supercapacitor and Schottky diode behaviours in two new isostructural coordination polymers based on redox active metal ions CrystEngComm, 2023, 25, 6343-6353 |
| 7247566 | CIF | As Br2 La3 S5 | C 1 c 1 | 22.3092; 7.1387; 7.1638 90; 98.471; 90 | 1128.45 | Cicirello, Andrea; Swindle, Andrew; Wang, Jian Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure CrystEngComm, 2023, 25, 6354-6360 |
| 7247567 | CIF | As2 Cl3 La5 S9 | P b c m | 7.0472; 7.1152; 37.1137 90; 90; 90 | 1860.96 | Cicirello, Andrea; Swindle, Andrew; Wang, Jian Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure CrystEngComm, 2023, 25, 6354-6360 |
| 7247568 | CIF | C45 H63 Cu3 N6 O16 P | P 63 | 19.794; 19.794; 9.0285 90; 90; 120 | 3063.47 | Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties CrystEngComm, 2023, 25, 6132-6136 |
| 7247569 | CIF | C45 H69 Cu3 N6 O19 P | F 41 3 2 | 37.4254; 37.4254; 37.4254 90; 90; 90 | 52420.3 | Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties CrystEngComm, 2023, 25, 6132-6136 |
| 7247572 | CIF | C34 H19 F6 I6 N2 P S | P 1 21/m 1 | 7.2546; 28.912; 9.1504 90; 92.873; 90 | 1916.84 | Kumar, Lavanya; Dash, Sibananda G.; Leko, Katarina; Trzybiński, Damian; Bregović, Nikola; Cinčić, Dominik; Arhangelskis, Mihails Elucidating mechanochemical reactivity of a ternary halogen-bonded cocrystal system by computational and calorimetric studies. Physical chemistry chemical physics : PCCP, 2023, 25, 28576-28580 |
| 7247573 | CIF | C76 H81 I N4 O10 Si2 | P 21 21 2 | 13.3936; 27.474; 9.584 90; 90; 90 | 3526.68 | Zhou, Hai-Jie; Yao, Yi-Ping; Zhang, Tonghui; Chen, Biao; Wang, Xu; Zhao, Hang; Zeng, Jie; Chen, Jian-Ai; Xiao, Xiao; Chen, Fen-Er New conformationally flexible and recyclable aryl iodine catalysts from an inexpensive chiral source for asymmetric oxidations Green Chemistry, 2023, 25, 10447-10457 |
| 7247574 | CIF | C56 H61 I N4 O8 Si2 | P 21 21 2 | 28.216; 13.252; 14.528 90; 90; 90 | 5432 | Zhou, Hai-Jie; Yao, Yi-Ping; Zhang, Tonghui; Chen, Biao; Wang, Xu; Zhao, Hang; Zeng, Jie; Chen, Jian-Ai; Xiao, Xiao; Chen, Fen-Er New conformationally flexible and recyclable aryl iodine catalysts from an inexpensive chiral source for asymmetric oxidations Green Chemistry, 2023, 25, 10447-10457 |
| 7247577 | CIF | C31 H19 N5 O4 Zn | P -1 | 10.807; 11.9118; 12.0215 118.315; 98.197; 98.075 | 1309.44 | Li, Ya-Ping; Zhang, Jian-Hua; Zhang, Xiao-Xia; Liu, Sui-Jun 2D → 3D polycatenated Zn(ii) metal–organic framework with good chemical stability as a fluorescent sensor toward salicylaldehyde, acetylacetone and H2PO4− CrystEngComm, 2023, 25, 6424-6433 |
| 7247578 | CIF | C9 H10 N2 O2 S2 | P 1 21/c 1 | 7.5418; 11.3152; 12.9845 90; 96.939; 90 | 1099.94 | Pal, Satyajit; Sarkar, Subhankar; Mukherjee, Anindita; Kundu, Anupam; Sen, Animesh; Rath, Jnanendra; Santra, Sougata; Zyryanov, Grigory V.; Majee, Adinath Metal-free, tert-butyl nitrite promoted C(sp2)–S coupling reaction: the synthesis of aryl dithiocarbamates and analysis of antimicrobial activity by ‘in silico’ and ‘in vitro’ methods for drug modification Green Chemistry, 2023, 25, 9847-9856 |
| 7247579 | CIF | C15 H14 N2 O6 | P 1 21/n 1 | 4.83768; 14.8178; 20.0275 90; 95.964; 90 | 1427.88 | Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation CrystEngComm, 2023, 25, 6185-6193 |
| 7247580 | CIF | C15 H16 Br N O4 | P 1 21/c 1 | 4.7204; 21.155; 15.1364 90; 92.616; 90 | 1509.95 | Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation CrystEngComm, 2023, 25, 6185-6193 |
| 7247581 | CIF | C15 H15 N O7 S | P 1 c 1 | 4.4714; 9.3275; 17.7797 90; 90.109; 90 | 741.54 | Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation CrystEngComm, 2023, 25, 6185-6193 |
| 7247582 | CIF | C15 H16 Cl N O4 | P 1 21/c 1 | 4.7037; 20.9656; 14.8427 90; 92.196; 90 | 1462.65 | Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation CrystEngComm, 2023, 25, 6185-6193 |
| 7247583 | CIF | C15 H16 N O7 P | P 1 21/c 1 | 7.9912; 21.7863; 9.0403 90; 100.091; 90 | 1549.56 | Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation CrystEngComm, 2023, 25, 6185-6193 |
| 7247584 | CIF | C15 H13 N O3 | P -1 | 3.89223; 10.76523; 15.40737 109.037; 94.011; 90.8565 | 608.291 | Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation CrystEngComm, 2023, 25, 6185-6193 |
| 7247585 | CIF | C15 H13 N O3 | P 1 21/c 1 | 3.82566; 15.0716; 21.1995 90; 92.4431; 90 | 1221.23 | Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation CrystEngComm, 2023, 25, 6185-6193 |
| 7247586 | CIF | C24 H64 N16 Sb4 Se10 Zn4 | C 1 2/c 1 | 30.4965; 7.825; 23.6797 90; 94.921; 90 | 5630 | Zhang, Lirong; Zhao, Huiling; Liu, Xin; Teri, Gele; Baiyin, Menghe Syntheses, crystal structure, and photoelectric properties of two Zn-based chalcogenidoantimonates Zn-Sb-Q (Q = S, Se). Physical chemistry chemical physics : PCCP, 2023, 25, 29709-29717 |
| 7247587 | CIF | C16 H48 N10 S6 Sb2 Zn2 | I 41/a :2 | 25.9513; 25.9513; 9.8863 90; 90; 90 | 6658.1 | Zhang, Lirong; Zhao, Huiling; Liu, Xin; Teri, Gele; Baiyin, Menghe Syntheses, crystal structure, and photoelectric properties of two Zn-based chalcogenidoantimonates Zn-Sb-Q (Q = S, Se). Physical chemistry chemical physics : PCCP, 2023, 25, 29709-29717 |
| 7247591 | CIF | C25 H28 N2 O7 | P -1 | 6.9004; 10.5029; 15.8453 95.066; 92.516; 100.761 | 1121.6 | Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro Multiple intermolecular interactions in guest inclusion by acyclic host compounds CrystEngComm, 2023, 25, 6137-6143 |
| 7247592 | CIF | C25 H28 N2 O8 | P -1 | 7.0715; 10.4603; 15.71 95.12; 94.102; 99.743 | 1136.3 | Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro Multiple intermolecular interactions in guest inclusion by acyclic host compounds CrystEngComm, 2023, 25, 6137-6143 |
| 7247593 | CIF | C26 H30 N2 O7 | P -1 | 7.0766; 10.505; 15.939 95.513; 93.85; 100.486 | 1155.4 | Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro Multiple intermolecular interactions in guest inclusion by acyclic host compounds CrystEngComm, 2023, 25, 6137-6143 |
| 7247594 | CIF | C22 H22 N2 O6 | P 1 21/n 1 | 10.8801; 12.8327; 13.3727 90; 93.49; 90 | 1863.6 | Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro Multiple intermolecular interactions in guest inclusion by acyclic host compounds CrystEngComm, 2023, 25, 6137-6143 |
| 7247595 | CIF | C22 H22 N2 O6 | C m c m | 6.6173; 13.6049; 20.3294 90; 90; 90 | 1830.2 | Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro Multiple intermolecular interactions in guest inclusion by acyclic host compounds CrystEngComm, 2023, 25, 6137-6143 |
| 7247596 | CIF | C26 H30 N2 O6 | P -1 | 7.1643; 9.8755; 17.073 84.131; 85.474; 72.254 | 1143 | Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro Multiple intermolecular interactions in guest inclusion by acyclic host compounds CrystEngComm, 2023, 25, 6137-6143 |
| 7247597 | CIF | C18 H36 Cl2 Co N12 O14 | P 1 21/c 1 | 9.7285; 9.8676; 16.7911 90; 97.648; 90 | 1597.6 | Kuang, Baolong; Wang, Tingwei; Zhang, Chao; Zhang, Han; Lu, Zujia; Xie, Zhiming; Xu, Meiqi; Yi, Zhenxin; Zhang, Jianguo 2-Imidazolidone metal complexes: increased hydrogen bonds and fused ring ligand ratio to be insensitive CrystEngComm, 2023, 25, 6449-6454 |
| 7247598 | CIF | C12 H24 Cl2 Cu N8 O12 | P -1 | 7.4339; 8.4275; 9.0714 87.583; 78.69; 77.157 | 543.34 | Kuang, Baolong; Wang, Tingwei; Zhang, Chao; Zhang, Han; Lu, Zujia; Xie, Zhiming; Xu, Meiqi; Yi, Zhenxin; Zhang, Jianguo 2-Imidazolidone metal complexes: increased hydrogen bonds and fused ring ligand ratio to be insensitive CrystEngComm, 2023, 25, 6449-6454 |
| 7247599 | CIF | C49 H47 F6 Fe | P 1 21/c 1 | 11.3155; 17.9907; 20.6727 90; 98.456; 90 | 4162.67 | Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood In the pursuit of a ‘disappearing’ anhydrous phase of the antipyrine–dipicolinic acid (ANT–DPA) co-crystal: explained through relative stability and charge density analyses CrystEngComm, 2023, 25, 6478-6488 |
| 7247600 | CIF | C18 H19 N3 O6 | C 1 2/c 1 | 18.4087; 8.0394; 23.69 90; 91.284; 90 | 3505.1 | Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood In the pursuit of a ‘disappearing’ anhydrous phase of the antipyrine–dipicolinic acid (ANT–DPA) co-crystal: explained through relative stability and charge density analyses CrystEngComm, 2023, 25, 6478-6488 |
| 7247601 | CIF | C30 H44 N2 O2 | P -1 | 6.447; 10.416; 11.367 82.665; 87.026; 72.301 | 721.2 | Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit Linker size dependent mechanical properties of di-imine based molecular crystals CrystEngComm, 2023, 25, 6416-6423 |
| 7247602 | CIF | C34 H52 N2 O2 | P -1 | 10.1433; 11.0854; 15.0978 87.297; 78.914; 89.006 | 1664 | Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit Linker size dependent mechanical properties of di-imine based molecular crystals CrystEngComm, 2023, 25, 6416-6423 |
| 7247603 | CIF | C32 H48 N2 O2 | C 1 2/c 1 | 18.8769; 6.1559; 26.9215 90; 106.511; 90 | 2999.4 | Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit Linker size dependent mechanical properties of di-imine based molecular crystals CrystEngComm, 2023, 25, 6416-6423 |
| 7247604 | CIF | C33 H50 N2 O2 | P 1 21/c 1 | 10.9128; 10.0522; 29.338 90; 90.55; 90 | 3218.2 | Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit Linker size dependent mechanical properties of di-imine based molecular crystals CrystEngComm, 2023, 25, 6416-6423 |
| 7247605 | CIF | C32 H28 Br O4 P | P 1 2/n 1 | 21.1054; 11.235; 24.6803 90; 106.321; 90 | 5616.3 | Li, Chaoyang; Niu, Xinyue; Xu, Wan; Bu, Zhanwei; Zhang, Wenjing; Wang, Qilin Distinct reactivities of ortho-chalcone-substituted organophosphines with activated alkynes: skeletal editing or periphery modification Green Chemistry, 2023, 25, 10587-10595 |
| 7247606 | CIF | C30 H23 Cl N O2 P | P -1 | 9.7322; 10.0029; 12.561 89.918; 88.573; 81.09 | 1207.7 | Li, Chaoyang; Niu, Xinyue; Xu, Wan; Bu, Zhanwei; Zhang, Wenjing; Wang, Qilin Distinct reactivities of ortho-chalcone-substituted organophosphines with activated alkynes: skeletal editing or periphery modification Green Chemistry, 2023, 25, 10587-10595 |
| 7247607 | CIF | C33 H26 Cl O5 P | P 1 21/c 1 | 14.9304; 9.0992; 21.2031 90; 106.572; 90 | 2760.89 | Li, Chaoyang; Niu, Xinyue; Xu, Wan; Bu, Zhanwei; Zhang, Wenjing; Wang, Qilin Distinct reactivities of ortho-chalcone-substituted organophosphines with activated alkynes: skeletal editing or periphery modification Green Chemistry, 2023, 25, 10587-10595 |
| 7247608 | CIF | C54 H40 Br2 O2 P2 | P -1 | 14.38; 15.4793; 17.346 101.507; 108.532; 108.298 | 3278.1 | Li, Chaoyang; Niu, Xinyue; Xu, Wan; Bu, Zhanwei; Zhang, Wenjing; Wang, Qilin Distinct reactivities of ortho-chalcone-substituted organophosphines with activated alkynes: skeletal editing or periphery modification Green Chemistry, 2023, 25, 10587-10595 |
| 7247616 | CIF | C12 H10 N2 | P 1 21/c 1 | 22.3235; 11.7383; 7.558 90; 92.989; 90 | 1977.8 | Baig, K. Mohamed Yusuf; Kole, Goutam Kumar Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight CrystEngComm, 2023, 25, 6204-6214 |
| 7247617 | CIF | C12 H12 Ag N3 O4 | P 1 21/n 1 | 7.799; 18.295; 8.984 90; 93.931; 90 | 1278.8 | Baig, K. Mohamed Yusuf; Kole, Goutam Kumar Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight CrystEngComm, 2023, 25, 6204-6214 |
| 7247618 | CIF | C12 H12 Ag B F4 N2 O | P 1 21/n 1 | 7.7806; 18.88; 9.48 90; 96.15; 90 | 1384.6 | Baig, K. Mohamed Yusuf; Kole, Goutam Kumar Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight CrystEngComm, 2023, 25, 6204-6214 |
| 7247619 | CIF | C12 H10 Ag F6 N2 Sb | P n m a | 12.102; 6.6333; 17.915 90; 90; 90 | 1438.1 | Baig, K. Mohamed Yusuf; Kole, Goutam Kumar Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight CrystEngComm, 2023, 25, 6204-6214 |
| 7247620 | CIF | C14 H10 Ag F3 N2 O2 | C 1 2/c 1 | 36.304; 5.3887; 15.575 90; 110.695; 90 | 2850.4 | Baig, K. Mohamed Yusuf; Kole, Goutam Kumar Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight CrystEngComm, 2023, 25, 6204-6214 |
| 7247621 | CIF | C13 H10 Ag F3 N2 O3 S | P 1 21/c 1 | 6.6106; 17.709; 12.3217 90; 94.626; 90 | 1437.8 | Baig, K. Mohamed Yusuf; Kole, Goutam Kumar Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight CrystEngComm, 2023, 25, 6204-6214 |
| 7247622 | CIF | C7 H7.5 N2 O1.75 | P 1 21/n 1 | 19.0792; 7.8359; 19.193 90; 94.076; 90 | 2862.1 | Wood, Oskar G.; Jones, Leanne; Hawes, Chris S. Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide CrystEngComm, 2023, 25, 6371-6378 |
| 7247623 | CIF | C56 H50 Cl6 N16 O9 Yb2 | P -1 | 13.2616; 16.7698; 16.9393 118.495; 93.043; 103.059 | 3167.76 | Wood, Oskar G.; Jones, Leanne; Hawes, Chris S. Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide CrystEngComm, 2023, 25, 6371-6378 |
| 7247624 | CIF | C14 H10 Cu N4 O2 | P 1 21/n 1 | 8.6982; 11.0452; 13.7542 90; 106.867; 90 | 1264.57 | Wood, Oskar G.; Jones, Leanne; Hawes, Chris S. Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide CrystEngComm, 2023, 25, 6371-6378 |
| 7247625 | CIF | C42 H36 Cl6 Eu2 N12 O6 | P -1 | 8.4097; 10.7232; 13.8568 79.116; 80.131; 79.915 | 1195.72 | Wood, Oskar G.; Jones, Leanne; Hawes, Chris S. Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide CrystEngComm, 2023, 25, 6371-6378 |
| 7247626 | CIF | C21 H18 Eu N9 O12 | P -1 | 8.5699; 11.7452; 14.2218 78.654; 77.154; 70.806 | 1306.15 | Wood, Oskar G.; Jones, Leanne; Hawes, Chris S. Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide CrystEngComm, 2023, 25, 6371-6378 |
| 7247627 | CIF | C21 H18 Gd N9 O12 | P -1 | 8.5744; 11.7399; 14.2153 78.681; 77.157; 70.824 | 1305.88 | Wood, Oskar G.; Jones, Leanne; Hawes, Chris S. Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide CrystEngComm, 2023, 25, 6371-6378 |
| 7247628 | CIF | C16 H16 Cu2 N4 O4 | P 1 21/c 1 | 12.4309; 10.4129; 13.1342 90; 104.761; 90 | 1644 | Wood, Oskar G.; Jones, Leanne; Hawes, Chris S. Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide CrystEngComm, 2023, 25, 6371-6378 |
| 7247629 | CIF | C8 H8 Br3 N Pb S | P 21 21 21 | 7.7383; 11.5787; 14.7269 90; 90; 90 | 1319.52 | Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations CrystEngComm, 2023, 25, 6556-6567 |
| 7247630 | CIF | C9 H10 Br3 N Pb S | P b c a | 17.703; 7.827; 20.1031 90; 90; 90 | 2785.5 | Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations CrystEngComm, 2023, 25, 6556-6567 |
| 7247631 | CIF | C19 H18 Br3 P Pb | P b c a | 22.601; 7.8074; 24.284 90; 90; 90 | 4285 | Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations CrystEngComm, 2023, 25, 6556-6567 |
| 7247632 | CIF | C20 H20 Br3 P Pb | P b c a | 22.297; 7.948; 25.2706 90; 90; 90 | 4478.4 | Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations CrystEngComm, 2023, 25, 6556-6567 |
| 7247633 | CIF | C20 H24 Br8 N2 Pb3 S2 | P 1 21/c 1 | 8.8791; 21.8322; 17.9977 90; 91.913; 90 | 3486.9 | Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations CrystEngComm, 2023, 25, 6556-6567 |
| 7247634 | CIF | C21 H22 Br3 P Pb | P 1 21/n 1 | 13.3422; 8.1688; 21.4738 90; 95.977; 90 | 2327.7 | Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations CrystEngComm, 2023, 25, 6556-6567 |
| 7247635 | CIF | C14 H8 N4 S2 | P 1 21/c 1 | 15.6685; 3.7842; 10.8705 90; 108.658; 90 | 610.67 | Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M. The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole CrystEngComm, 2023, 25, 6434-6440 |
| 7247636 | CIF | C14 H8 N4 S2 | P 1 21/c 1 | 8.4275; 6.304; 11.748 90; 93.544; 90 | 622.94 | Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M. The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole CrystEngComm, 2023, 25, 6434-6440 |
| 7247637 | CIF | C70 H40 N12 O8 S6 Zn2 | P -1 | 14.728; 15.36; 15.369 93.63; 113.88; 91.64 | 3167 | Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M. The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole CrystEngComm, 2023, 25, 6434-6440 |
| 7247638 | CIF | C46 H34 N10 O10 S6 Zn2 | P 1 21/c 1 | 17.1947; 18.5446; 15.7154 90; 100.974; 90 | 4919.52 | Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M. The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole CrystEngComm, 2023, 25, 6434-6440 |
| 7247639 | CIF | C28 H16 N4 O5 S2 Zn | C 1 2/c 1 | 32.53; 8.664; 22.1 90; 96.56; 90 | 6188 | Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M. The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole CrystEngComm, 2023, 25, 6434-6440 |
| 7247640 | CIF | C2 D3 F3 O | P 1 21/c 1 | 4.6413; 16.1899; 8.557 90; 91.691; 90 | 642.7 | Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R. The rich structural phase behaviour of 2,2,2-trifluoroethanol CrystEngComm, 2023, 25, 6291-6302 |
| 7247641 | CIF | C2 D3 F3 O | P 1 21/c 1 | 4.654; 16.259; 8.577 90; 91.615; 90 | 648.8 | Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R. The rich structural phase behaviour of 2,2,2-trifluoroethanol CrystEngComm, 2023, 25, 6291-6302 |
| 7247642 | CIF | C2 D3 F3 O | P 1 21/c 1 | 4.863; 33.054; 8.8694 90; 91.519; 90 | 1425.2 | Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R. The rich structural phase behaviour of 2,2,2-trifluoroethanol CrystEngComm, 2023, 25, 6291-6302 |
| 7247643 | CIF | C9 H14 N4 O8 | P 1 21 1 | 7.712; 7.481; 11.062 90; 108.44; 90 | 605.4 | Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine CrystEngComm, 2023, 25, 6549-6555 |
| 7247644 | CIF | C9 H13 Ag N4 O8 | P 21 21 21 | 4.6969; 15.1122; 17.3305 90; 90; 90 | 1230.13 | Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine CrystEngComm, 2023, 25, 6549-6555 |
| 7247645 | CIF | C24 H38 Co F6 N4 O6 | P 1 21/c 1 | 10.0114; 16.1179; 11.3898 90; 120.466; 90 | 1584.13 | Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5) CrystEngComm, 2023, 25, 6194-6203 |
| 7247646 | CIF | C24 H38 F6 N4 Ni O6 | P 1 21/c 1 | 9.9328; 15.9853; 11.4746 90; 120.609; 90 | 1568.06 | Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5) CrystEngComm, 2023, 25, 6194-6203 |
| 7247647 | CIF | C22 H34 F6 N4 Ni O6 | P 1 21/c 1 | 8.9504; 15.8017; 11.5358 90; 118.8; 90 | 1429.7 | Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5) CrystEngComm, 2023, 25, 6194-6203 |
| 7247648 | CIF | C23 H36 Co0.5 F6 N4 Ni0.5 O6 | P 1 21/c 1 | 18.333; 15.836; 11.701 90; 120.036; 90 | 2940.9 | Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5) CrystEngComm, 2023, 25, 6194-6203 |
| 7247649 | CIF | C23 H36 Co F6 N4 O6 | P 1 21/c 1 | 18.514; 15.792; 11.787 90; 120.86; 90 | 2958.3 | Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5) CrystEngComm, 2023, 25, 6194-6203 |
| 7247650 | CIF | C23 H36 F6 N4 Ni O6 | P 1 21/c 1 | 18.564; 15.699; 11.768 90; 120.67; 90 | 2949.9 | Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5) CrystEngComm, 2023, 25, 6194-6203 |
| 7247665 | CIF | C48 H100 S4 Sn | P 1 21/c 1 | 71.41; 8.12; 9.297 90; 91.38; 90 | 5389 | Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals CrystEngComm, 2023, 25, 5782-5786 |
| 7247666 | CIF | C56 H116 S4 Sn | P 1 21/c 1 | 81.184; 7.8878; 9.253 90; 91.117; 90 | 5924.2 | Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals CrystEngComm, 2023, 25, 5782-5786 |
| 7247667 | CIF | C64 H132 S4 Sn | P 1 c 1 | 45.6447; 8.1335; 9.3171 90; 92.133; 90 | 3456.6 | Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals CrystEngComm, 2023, 25, 5782-5786 |
| 7247670 | CIF | C20 H8 I3 N4 S10 | C 1 2/m 1 | 20.7416; 9.9967; 7.4017 90; 107.298; 90 | 1465.31 | Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>. Physical chemistry chemical physics : PCCP, 2023, 25, 31410-31417 |
| 7247671 | CIF | C20 H8 I3 N4 S10 | C 1 2/m 1 | 20.7153; 9.9754; 7.3562 90; 107.185; 90 | 1452.25 | Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>. Physical chemistry chemical physics : PCCP, 2023, 25, 31410-31417 |
| 7247672 | CIF | C20 H8 I3 N4 S10 | C 1 2/m 1 | 20.718; 9.96; 7.3352 90; 107.07; 90 | 1446.9 | Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>. Physical chemistry chemical physics : PCCP, 2023, 25, 31410-31417 |
| 7247673 | CIF | C18 H18 N2 O S2 | P -1 | 9.2114; 13.4808; 14.52 76.969; 75.035; 72.648 | 1640.93 | Xiao, Xiao; Mu, Tong; Sukhanov, Andrey A.; Zhou, Yihang; Yu, Peiran; Yu, Fabiao; Elmali, Ayhan; Zhao, Jianzhang; Karatay, Ahmet; Voronkova, Violeta K. The effect of thionation of the carbonyl group on the photophysics of compact spiro rhodamine-naphthalimide electron donor-acceptor dyads: intersystem crossing, charge separation, and electron spin dynamics. Physical chemistry chemical physics : PCCP, 2023, 25, 31667-31682 |
| 7247674 | CIF | C44 H44 N4 O2 S2 | P -1 | 10.1465; 12.0918; 16.0775 71.168; 85.399; 83.566 | 1853.15 | Xiao, Xiao; Mu, Tong; Sukhanov, Andrey A.; Zhou, Yihang; Yu, Peiran; Yu, Fabiao; Elmali, Ayhan; Zhao, Jianzhang; Karatay, Ahmet; Voronkova, Violeta K. The effect of thionation of the carbonyl group on the photophysics of compact spiro rhodamine-naphthalimide electron donor-acceptor dyads: intersystem crossing, charge separation, and electron spin dynamics. Physical chemistry chemical physics : PCCP, 2023, 25, 31667-31682 |
| 7247675 | CIF | C19 H15 Br N2 O | P 1 21/n 1 | 6.2672; 14.7584; 17.2093 90; 94.681; 90 | 1586.4 | Bhattacharyya, Arghyadeep; Das, Akash; Guchhait, Nikhil Interrogating the nature of aggregates formed in a model azine based ESIPT coupled AIE active probe: stark differences in photodynamics in the solid state and aggregates in water. Physical chemistry chemical physics : PCCP, 2023, 25, 31702-31713 |
| 7247679 | CIF | C6 Cl5 N O2 | R -3 :H | 8.716; 8.716; 10.946 90; 90; 120 | 720.15 | Gebbia, Jonathan F.; Aristizabal, Andrés Henao; Negrier, Philippe; Aguilà, David; Tamarit, Josep Lluis; Pardo, Luis Carlos Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation. Physical chemistry chemical physics : PCCP, 2023, 25, 30553-30562 |
| 7247680 | CIF | C6 Cl5 N O2 | R -3 :H | 8.744; 8.744; 11.068 90; 90; 120 | 732.86 | Gebbia, Jonathan F.; Aristizabal, Andrés Henao; Negrier, Philippe; Aguilà, David; Tamarit, Josep Lluis; Pardo, Luis Carlos Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation. Physical chemistry chemical physics : PCCP, 2023, 25, 30553-30562 |
| 7247681 | CIF | C33 H24 In N3 O9 | R -3 :H | 13.8174; 13.8174; 26.1691 90; 90; 120 | 4326.9 | Wang, Rui; Jiang, Nan; Luo, Rong; Yu, Hai-Jun; Yin, Yi; Bi, Shuang-Yu; Zhang, Dong-Mei; Shao, Feng Efficient detection of Al3+ and B4O72− over trigonal prism In(iii) complex CrystEngComm, 2023, 25, 6627-6634 |
| 7247682 | CIF | C22 H28 N8 Ni O11 | P -1 | 10.949; 11.9806; 12.0973 112.946; 106.988; 99.066 | 1329.49 | Roy, Subhadip; Mal, Susital; Banik, Rupak; Das, Subrata; Dlháň, Ľubor; Titiš, Ján; Boča, Roman; Kirillov, Alexander M.; Novikov, Alexander S.; Hazendonk, Paul; Butcher, Ray J.; Bauza, Antonio; Frontera, Antonio Two isostructural complexes of Ni(ii) and Zn(ii) with violurate and pyridine: a detailed structural, theoretical, magnetic, and NMR investigation CrystEngComm, 2023, 25, 6503-6511 |
| 7247683 | CIF | C22 H28 N8 O11 Zn | P -1 | 11.1064; 12.1528; 12.3032 113.663; 106.663; 98.98 | 1385.8 | Roy, Subhadip; Mal, Susital; Banik, Rupak; Das, Subrata; Dlháň, Ľubor; Titiš, Ján; Boča, Roman; Kirillov, Alexander M.; Novikov, Alexander S.; Hazendonk, Paul; Butcher, Ray J.; Bauza, Antonio; Frontera, Antonio Two isostructural complexes of Ni(ii) and Zn(ii) with violurate and pyridine: a detailed structural, theoretical, magnetic, and NMR investigation CrystEngComm, 2023, 25, 6503-6511 |
| 7247685 | CIF | C8 H20 Cl4 Mn N2 O4 | P 1 21/c 1 | 16.1956; 7.178; 7.2126 90; 100.097; 90 | 825.49 | Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation CrystEngComm, 2023, 25, 6568-6591 |
| 7247686 | CIF | C6 H20 Cl4 Mn N2 O6 | C 1 2/c 1 | 21.3208; 7.0794; 11.144 90; 107.916; 90 | 1600.49 | Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation CrystEngComm, 2023, 25, 6568-6591 |
| 7247687 | CIF | C10 H28 Cl4 Mn N2 O6 | P -1 | 5.9046; 7.8188; 11.5638 91.74; 99.872; 104.651 | 507.33 | Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation CrystEngComm, 2023, 25, 6568-6591 |
| 7247688 | CIF | C12 H28 Cl4 Mn N2 O4 | P -1 | 7.137; 7.2664; 19.6318 85.695; 87.366; 88.66 | 1013.96 | Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation CrystEngComm, 2023, 25, 6568-6591 |
| 7247689 | CIF | C18 H6 N30 O36 | P 1 21/c 1 | 14.815; 8.0553; 16.905 90; 92.113; 90 | 2016.1 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247690 | CIF | C6 H2 N10 O12 | P 1 21/c 1 | 15.104; 8.246; 17.1411 90; 92.235; 90 | 2133.3 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247691 | CIF | C3 H N5 O6 | P 1 21/c 1 | 14.6452; 7.9546; 16.7946 90; 92.018; 90 | 1955.3 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247692 | CIF | C3 N5 O6 | C 1 c 1 | 19.5713; 7.6509; 14.6982 90; 127.661; 90 | 1742.3 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247693 | CIF | C3 H N5 O6 | P 1 21/c 1 | 14.7836; 8.0383; 16.867 90; 92.078; 90 | 2003.1 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247694 | CIF | C3 N5 O6 | C 1 c 1 | 19.3994; 7.5957; 14.5289 90; 127.637; 90 | 1695.3 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247695 | CIF | C3 N5 O6 | C 1 c 1 | 19.319; 7.5668; 14.458 90; 127.623; 90 | 1674 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247696 | CIF | C6 H2 N10 O12 | P 1 21/c 1 | 14.937; 8.1341; 16.989 90; 92.17; 90 | 2062.7 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247697 | CIF | C3 H N5 O6 | P 1 21/c 1 | 14.2569; 7.6573; 16.6118 90; 92.197; 90 | 1812.17 | Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R. High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole. Physical chemistry chemical physics : PCCP, 2023, 25, 31646-31654 |
| 7247700 | CIF | C19 H20 N2 O S | P 1 21/c 1 | 10.5007; 19.5547; 8.6349 90; 97.941; 90 | 1756.07 | Ahmed, Muhammad Naeem; Akhtar, Maheen; Andleeb, Hina; Bashir, Muhammad Adnan; Ibrahim, Mahmoud A. A.; Sidhom, Peter A.; Arshad, Ifzan; Tahir, Muhammad Nawaz; Gil, Diego M.; Gomila, Rosa M.; Frontera, Antonio Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions CrystEngComm, 2023, 25, 6710-6718 |
| 7247701 | CIF | C22 H26 N2 O4 S | P 1 21/c 1 | 10.4066; 24.9033; 8.8792 90; 97.936; 90 | 2279.08 | Ahmed, Muhammad Naeem; Akhtar, Maheen; Andleeb, Hina; Bashir, Muhammad Adnan; Ibrahim, Mahmoud A. A.; Sidhom, Peter A.; Arshad, Ifzan; Tahir, Muhammad Nawaz; Gil, Diego M.; Gomila, Rosa M.; Frontera, Antonio Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions CrystEngComm, 2023, 25, 6710-6718 |
| 7247702 | CIF | C21 H27 N3 O12 Tb | P -1 | 10.4819; 10.9273; 12.5634 104.646; 108.134; 97.016 | 1291.14 | Zhao, Yuming; Zhang, Rudie; Xiao, Cheng; Yue, Dan; Qin, Bowen; Liu, Jinhui; Wang, Zhenling; Fu, Yu A dual-emission Tb-based MOF induced by ESPT for ratiometric ammonia sensing CrystEngComm, 2023, 25, 6528-6532 |
| 7247703 | CIF | C13 H8 F7 N3 | P 1 21/c 1 | 11.5372; 11.7335; 10.3893 90; 104.132; 90 | 1363.9 | Han, Wei; Chen, Yu-Lan; Tang, Xi; Zhou, Jie; Ma, Mengtao; Shen, Zhi-Liang; Chu, Xue-Qiang Water-promoted defluorinative synthesis of fluoroalkylated 1,5-diazapentadienes by using (NH4)2CO3 as an NH2 and NH source Green Chemistry, 2023, 25, 9672-9679 |
| 7247704 | CIF | C19 H14 F7 N O3 S | P -1 | 6.2755; 8.141; 19.0094 81.051; 85.123; 84.276 | 952.2 | Han, Wei; Chen, Yu-Lan; Tang, Xi; Zhou, Jie; Ma, Mengtao; Shen, Zhi-Liang; Chu, Xue-Qiang Water-promoted defluorinative synthesis of fluoroalkylated 1,5-diazapentadienes by using (NH4)2CO3 as an NH2 and NH source Green Chemistry, 2023, 25, 9672-9679 |
| 7247705 | CIF | C120 H72 Hf6 O32 | R -3 :H | 30.238; 30.238; 15.131 90; 90; 120 | 11981 | Ma, Yali; Wang, Haitang; Wang, Hailong; Wang, Jiani; Jiang, Shuaiyu; Zheng, Qiang; Jia, Songyan; Li, Xue; Ma, Tianyi A stable ultra-microporous hafnium-based metal–organic framework with high performance for CO2 adsorption and separation CrystEngComm, 2023, 25, 6489-6495 |
| 7247709 | CIF | C16 H14 Br Cl3 N2 O S | C 1 2/c 1 | 35.975; 6.3852; 17.1343 90; 104.246; 90 | 3814.8 | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes CrystEngComm, 2023, 25, 6758-6776 |
| 7247710 | CIF | C23 H16 Cl4 N3 O5 S | P -1 | 7.7627; 11.9414; 14.9934 110.029; 96.939; 103.891 | 1235.79 | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes CrystEngComm, 2023, 25, 6758-6776 |
| 7247711 | CIF | C20 H18 Cl3 N2 O5.5 S | P 1 21/n 1 | 7.8551; 46.374; 12.4658 90; 90.468; 90 | 4540.8 | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes CrystEngComm, 2023, 25, 6758-6776 |
| 7247712 | CIF | C22 H22 Cl3 N2 O10 S | P 1 | 7.5563; 8.3022; 20.6593 83.732; 82.528; 89.714 | 1277.3 | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes CrystEngComm, 2023, 25, 6758-6776 |
| 7247713 | CIF | C18 H15 Cl3 N2 O5 S | P -1 | 10.2522; 10.7638; 11.0528 112.364; 105.711; 96.357 | 1054.06 | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes CrystEngComm, 2023, 25, 6758-6776 |
| 7247714 | CIF | C22 H18 Cl3 N3 O3 S | P -1 | 8.0219; 12.3226; 23.9838 97.644; 99.212; 90.462 | 2318.4 | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes CrystEngComm, 2023, 25, 6758-6776 |
| 7247715 | CIF | C16 H15 Cl3 N2 O5 S2 | I 1 2/a 1 | 16.9432; 6.7811; 34.455 90; 98.406; 90 | 3916.1 | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes CrystEngComm, 2023, 25, 6758-6776 |
| 7247716 | CIF | C20 H16 Cl3 N2 O3 S | P -1 | 7.488; 11.3843; 13.028 83.111; 83.102; 75.116 | 1060.94 | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes CrystEngComm, 2023, 25, 6758-6776 |
| 7247717 | CIF | C23 H14 Cl3 N2 O4 S2 | C 1 2/c 1 | 28.7499; 6.6873; 26.7737 90; 106.37; 90 | 4938.8 | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes CrystEngComm, 2023, 25, 6758-6776 |
| 7247718 | CIF | C32 H32 Cl6 N4 O11 S3 | P -1 | 8.4631; 12.0147; 21.5955 82.36; 88.44; 88.592 | 2175.1 | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes CrystEngComm, 2023, 25, 6758-6776 |
| 7247719 | CIF | C20 H25 Cl3 N2 O10.42 S | P 21 21 21 | 7.6028; 9.9444; 35.6016 90; 90; 90 | 2691.67 | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes CrystEngComm, 2023, 25, 6758-6776 |
| 7247720 | CIF | C32 H42 Cl6 N4 O13 S3 | P 1 | 10.5568; 10.9083; 20.8988 86.078; 77.368; 66.24 | 2148.81 | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes CrystEngComm, 2023, 25, 6758-6776 |
| 7247721 | CIF | C34 H36 Cl6 N4 O10 S2 | P -1 | 7.6541; 15.9993; 17.8133 73.851; 78.295; 85.648 | 2051.33 | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes CrystEngComm, 2023, 25, 6758-6776 |
| 7247722 | CIF | C20 H17 Cl3 N2 O6 S | P -1 | 7.4874; 8.0833; 19.8791 94.572; 98.318; 94.709 | 1181.34 | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes CrystEngComm, 2023, 25, 6758-6776 |
| 7247723 | CIF | C16 H14 Cl3 N2 O5 P S | I 1 2/a 1 | 17.2992; 6.8054; 34.882 90; 99.792; 90 | 4046.8 | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes CrystEngComm, 2023, 25, 6758-6776 |
| 7247724 | CIF | C40 H30 Cl6 N4 O6 S2 | P -1 | 10.729; 12.8274; 16.0617 78.507; 83.668; 85.091 | 2148.36 | Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S. Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes CrystEngComm, 2023, 25, 6758-6776 |
| 7247725 | CIF | C21 H17 Br F2 N2 O | P 1 21/n 1 | 9.5594; 19.9216; 10.3113 90; 110.294; 90 | 1841.8 | Pan, Dongping; Liu, Fu-Xiaomin; Zeng, Zhongyi; Ye, Junwei; Cai, Ying; Wang, Shengdong; Zhou, Zhi; Yi, Wei Practical conversion of gem-difluorocyclopropenes for the chemodivergent assembly of fluorinated heterocyclic frameworks Green Chemistry, 2023, 25, 10630-10637 |
| 7247726 | CIF | C17 H15 F N2 O2 | P -1 | 8.8203; 9.1068; 10.6468 67.05; 88.22; 71.172 | 740.95 | Pan, Dongping; Liu, Fu-Xiaomin; Zeng, Zhongyi; Ye, Junwei; Cai, Ying; Wang, Shengdong; Zhou, Zhi; Yi, Wei Practical conversion of gem-difluorocyclopropenes for the chemodivergent assembly of fluorinated heterocyclic frameworks Green Chemistry, 2023, 25, 10630-10637 |
| 7247727 | CIF | C17 H16 F2 N2 O | F d d 2 | 37.7194; 16.9142; 9.49011 90; 90; 90 | 6054.63 | Pan, Dongping; Liu, Fu-Xiaomin; Zeng, Zhongyi; Ye, Junwei; Cai, Ying; Wang, Shengdong; Zhou, Zhi; Yi, Wei Practical conversion of gem-difluorocyclopropenes for the chemodivergent assembly of fluorinated heterocyclic frameworks Green Chemistry, 2023, 25, 10630-10637 |
| 7247728 | CIF | C24 H21 F N2 O3 S | P 1 21/c 1 | 11.0253; 19.0234; 11.08 90; 117.375; 90 | 2063.7 | Pan, Dongping; Liu, Fu-Xiaomin; Zeng, Zhongyi; Ye, Junwei; Cai, Ying; Wang, Shengdong; Zhou, Zhi; Yi, Wei Practical conversion of gem-difluorocyclopropenes for the chemodivergent assembly of fluorinated heterocyclic frameworks Green Chemistry, 2023, 25, 10630-10637 |
| 7247730 | CIF | C48 H48 Co2 N4 O16 | P 21 21 21 | 12.994; 18.489; 20.221 90; 90; 90 | 4858 | Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A. Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions CrystEngComm, 2023, 25, 6786-6795 |
| 7247731 | CIF | C34 H26 Co N4 O6 | P c c n | 10.3085; 16.7006; 18.9218 90; 90; 90 | 3257.5 | Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A. Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions CrystEngComm, 2023, 25, 6786-6795 |
| 7247732 | CIF | C28 H23 N3 Ni O7 | R -3 :H | 26.789; 26.789; 25.456 90; 90; 120 | 15821 | Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A. Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions CrystEngComm, 2023, 25, 6786-6795 |
| 7247733 | CIF | C70 H55 N9 Ni2 O12 | P c c n | 10.4988; 16.7826; 18.4931 90; 90; 90 | 3258.43 | Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A. Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions CrystEngComm, 2023, 25, 6786-6795 |
| 7247734 | CIF | C8 H4 N4 O2 | P 1 21/c 1 | 7.74397; 5.37413; 18.739 90; 99.3886; 90 | 769.42 | Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V. What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties CrystEngComm, 2023, 25, 6719-6739 |
| 7247735 | CIF | C8 H3 N5 O4 | P n a 21 | 14.2846; 9.9978; 6.3863 90; 90; 90 | 912.06 | Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V. What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties CrystEngComm, 2023, 25, 6719-6739 |
| 7247736 | CIF | C8 H3 N5 O4 | P b c a | 8.6598; 12.7026; 15.575 90; 90; 90 | 1713.28 | Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V. What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties CrystEngComm, 2023, 25, 6719-6739 |
| 7247737 | CIF | C8 H3 N5 O5 | P n a 21 | 14.40027; 10.46252; 6.13809 90; 90; 90 | 924.784 | Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V. What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties CrystEngComm, 2023, 25, 6719-6739 |
| 7247738 | CIF | C8 H4 N4 O3 | P 1 21/c 1 | 8.0979; 15.91; 18.7119 90; 95.287; 90 | 2400.54 | Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V. What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties CrystEngComm, 2023, 25, 6719-6739 |
| 7247739 | CIF | C8 H2 N6 O6 | P c a 21 | 12.53304; 8.30693; 9.61288 90; 90; 90 | 1000.81 | Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V. What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties CrystEngComm, 2023, 25, 6719-6739 |
| 7247740 | CIF | C42 H35 Cu O3 P2 S | P 1 21/c 1 | 22.7584; 9.418; 18.1546 90; 112.265; 90 | 3601.1 | Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Kumar, Abhinav; Muddassir, Mohd. The supramolecular frameworks and electrocatalytic properties of two new structurally diverse tertiary phosphane-appended nickel(ii) and copper(i) thiosquarates CrystEngComm, 2023, 25, 6822-6836 |
| 7247741 | CIF | C37.25 H33.73 Cl0.27 Ni O5.64 P2 S1.85 | P -1 | 9.658; 10.04345; 18.763 76.6204; 85.3079; 81.3483 | 1748.37 | Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Kumar, Abhinav; Muddassir, Mohd. The supramolecular frameworks and electrocatalytic properties of two new structurally diverse tertiary phosphane-appended nickel(ii) and copper(i) thiosquarates CrystEngComm, 2023, 25, 6822-6836 |
| 7247742 | CIF | C24 H23 Br O S | P 21 21 21 | 6.8294; 14.2435; 20.7154 90; 90; 90 | 2015.08 | Fan, Xin-Yang; Li, Jia-Cheng; Zhou, Ji-Jia; Zhou, Bo; Ye, Long-Wu Chiral Brønsted acid-catalyzed asymmetric dearomative spirocyclization of alkynyl thioethers Green Chemistry, 2023, 25, 10638-10643 |
| 7247743 | CIF | C42 H32 B2 F4 N8 | P 1 21/c 1 | 11.505; 37.012; 9.556 90; 111.92; 90 | 3775 | Behera, Kanhu Charan; Ravikanth, Mangalampalli A white light emitting single halochromic hydrazine bridged bis(3-pyrrolyl BODIPY) fluorophore. Physical chemistry chemical physics : PCCP, 2023, 25, 32584-32593 |
| 7247745 | CIF | C20 H26 Cl Cu N9 O4 | P 1 21/c 1 | 7.0295; 27.8164; 12.8722 90; 99.071; 90 | 2485.5 | Diyali, Nilankar; Chettri, Meena; Saha, Subhajit; Saha, Ankita; Kundu, Subhankar; Mondal, Debasish; Dhak, Debasis; Biswas, Bhaskar Electrocatalytic hydrogen production activity with a copper(ii)-dipyridylamine complex in acidic water CrystEngComm, 2023, 25, 6837-6844 |
| 7247750 | CIF | C30 H18 Mn N4 O4 | P 1 2/n 1 | 7.959; 10.7872; 29.582 90; 93.461; 90 | 2535.1 | Li, Duqingcuo; Liu, Yichen; Xiang, Ruifang; Li, Yuyan; Qin, Tianrui; Dong, Xiu Yan; Sakiyama, Hiroshi; Muddassir, Mohd.; Liu, Jianqiang Synthesis, structure, and investigation of unique magnetic properties in two novel Mn-based coordination polymers CrystEngComm, 2023, 25, 6777-6785 |
| 7247751 | CIF | C24 H17 Mn N4 O5 | P -1 | 9.584; 10.552; 11.7635 93.832; 111.246; 108.96 | 1025.39 | Li, Duqingcuo; Liu, Yichen; Xiang, Ruifang; Li, Yuyan; Qin, Tianrui; Dong, Xiu Yan; Sakiyama, Hiroshi; Muddassir, Mohd.; Liu, Jianqiang Synthesis, structure, and investigation of unique magnetic properties in two novel Mn-based coordination polymers CrystEngComm, 2023, 25, 6777-6785 |
| 7247762 | CIF | C8.34 H11 Co N9.17 O0.17 | I -4 3 m | 17.1155; 17.1155; 17.1155 90; 90; 90 | 5013.8 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247763 | CIF | C8 H10 Co N10.44 | I -4 3 m | 16.9979; 16.9979; 16.9979 90; 90; 90 | 4911.2 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247764 | CIF | C10 H16 Co N4 O | I -4 3 m | 17.0426; 17.0426; 17.0426 90; 90; 90 | 4950 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247765 | CIF | C8 H10 Co N13.73 | I -4 3 m | 16.8057; 16.8057; 16.8057 90; 90; 90 | 4746.5 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247766 | CIF | C8 H10 Co N13 | I -4 3 m | 16.9247; 16.9247; 16.9247 90; 90; 90 | 4848 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247767 | CIF | C8 H10 Co N13.33 | I -4 3 m | 16.6284; 16.6284; 16.6284 90; 90; 90 | 4597.81 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247768 | CIF | C8 H10 Co N10.08 | I -4 3 m | 17.074; 17.074; 17.074 90; 90; 90 | 4977.4 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247769 | CIF | C10.92 H21.67 Co N4 O2.92 | I -4 3 m | 17.2086; 17.2086; 17.2086 90; 90; 90 | 5096.1 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247770 | CIF | C11.75 H25 Co N4 O3.75 | I -4 3 m | 17.223; 17.223; 17.223 90; 90; 90 | 5108.9 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247771 | CIF | C8 H10 Co N13.83 | I -4 3 m | 16.7265; 16.7265; 16.7265 90; 90; 90 | 4679.67 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247772 | CIF | C8 H10 Co N13.33 | I -4 3 m | 16.4992; 16.4992; 16.4992 90; 90; 90 | 4491.47 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247773 | CIF | C11.83 H25.33 Co N4 O3.83 | I -4 3 m | 17.164; 17.164; 17.164 90; 90; 90 | 5056.56 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247774 | CIF | C11 H19 Co N4 O1.5 | I -4 3 m | 17.1155; 17.1155; 17.1155 90; 90; 90 | 5013.82 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247775 | CIF | C12.5 H28 Co N4 O4.5 | I -4 3 m | 16.9823; 16.9823; 16.9823 90; 90; 90 | 4897.7 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247776 | CIF | C13.42 H31.67 Co N4 O5.42 | I -4 3 m | 17.1651; 17.1651; 17.1651 90; 90; 90 | 5057.54 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247777 | CIF | C12.83 H29.33 Co N4 O4.83 | I -4 3 m | 16.8677; 16.8677; 16.8677 90; 90; 90 | 4799.2 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247778 | CIF | C11.67 H21 Co N4 O1.83 | I -4 3 m | 16.923; 16.923; 16.923 90; 90; 90 | 4846.5 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247779 | CIF | C8 H10 Co N13.33 | I -4 3 m | 16.5684; 16.5684; 16.5684 90; 90; 90 | 4548.22 | Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A. High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67 CrystEngComm, 2023, 25, 6533-6538 |
| 7247782 | CIF | C23 H26 F3 N3 O2 | P 1 21/c 1 | 11.276; 6.42; 29.326 90; 96.45; 90 | 2109.5 | Krawczyk, Marta S.; Krawczyk, Monika K.; Majerz, Irena Polymorphism of amantadinium niflumate CrystEngComm, 2023, 25, 6748-6757 |
| 7247783 | CIF | C23 H26 F3 N3 O2 | P 1 21/c 1 | 16.953; 6.359; 20.573 90; 108.29; 90 | 2105.8 | Krawczyk, Marta S.; Krawczyk, Monika K.; Majerz, Irena Polymorphism of amantadinium niflumate CrystEngComm, 2023, 25, 6748-6757 |
| 7247814 | CIF | C31 H26 Cd2 N4 O11 | P 1 2/c 1 | 10.3061; 8.9312; 16.601 90; 95.428; 90 | 1521.2 | Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes CrystEngComm, 2023, 25, 6067-6079 |
| 7247815 | CIF | C15.5 H18 Cd N2 O8 | C 1 2/c 1 | 11.0328; 17.1307; 19.2872 90; 93.281; 90 | 3639.3 | Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes CrystEngComm, 2023, 25, 6067-6079 |
| 7247816 | CIF | C23 H23 Cd N4 O8.5 | C 1 2/c 1 | 27.3243; 10.2895; 17.8117 90; 105.53; 90 | 4824.99 | Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes CrystEngComm, 2023, 25, 6067-6079 |
| 7247817 | CIF | C33 H38 Cd2 N4 O15 | P -1 | 10.0583; 10.1823; 20.6673 97.263; 94.133; 119.439 | 1806.38 | Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes CrystEngComm, 2023, 25, 6067-6079 |
| 7247818 | CIF | C9 H8 O4 | P 1 21/c 1 | 12.2633; 6.5624; 11.4726 90; 111.627; 90 | 858.28 | Muthusamy, Ramya; Karuppannan, Srinivasan Liquid–liquid phase separation and crystallization of aspirin polymorphs from a water–acetonitrile mixed solvent medium through a swift cooling process CrystEngComm, 2023, 25, 6611-6621 |
| 7247819 | CIF | C9 H8 O4 | P 1 21/c 1 | 11.429; 6.597; 11.395 90; 95.75; 90 | 854.8 | Muthusamy, Ramya; Karuppannan, Srinivasan Liquid–liquid phase separation and crystallization of aspirin polymorphs from a water–acetonitrile mixed solvent medium through a swift cooling process CrystEngComm, 2023, 25, 6611-6621 |
| 7247820 | CIF | C74 H101 Co2 Ho2 N7 O37 | C 1 2/c 1 | 26.692; 15.981; 19.803 90; 96.761; 90 | 8389 | Ahmed, Naushad; Sahu, Prem Prakash Ferromagnetically coupled CoII2LnIII2 complexes (where LnIII = Ho, Er, Yb): experimental and theoretical investigations CrystEngComm, 2023, 25, 6592-6601 |
| 7247821 | CIF | C74 H101 Co2 N7 O37 Yb2 | C 1 2/c 1 | 26.7585; 16.0409; 19.8206 90; 96.4; 90 | 8454.6 | Ahmed, Naushad; Sahu, Prem Prakash Ferromagnetically coupled CoII2LnIII2 complexes (where LnIII = Ho, Er, Yb): experimental and theoretical investigations CrystEngComm, 2023, 25, 6592-6601 |
| 7247831 | CIF | C50 H33 N3 O2 | R -3 :H | 39.4459; 39.4459; 12.5093 90; 90; 120 | 16856.5 | Amiri, Kamran; Nayebzadeh, Behrouz; Kamangar, Mohammad; Babazadeh, Mohammad; Ariafard, Alireza; Shiri, Farshad; Rominger, Frank; Balalaie, Saeed Synthesis of a fused N-bridged [3.3.1]nonadiquinoline multicyclic skeleton via a metal-free formal [4 + 2] cycloaddition/Mannich/dearomatization domino reaction Green Chemistry, 2023, 25, 9203-9208 |
| 7247832 | CIF | C4 H9 O11 | P -1 | 6.345; 7.2323; 10.5606 94.218; 100.28; 97.907 | 469.9 | Ragupathi, Ayyakkannu; Charpe, Vaibhav Pramod; Hwu, Jih Ru; Hwang, Kuo Chu Oxidative destruction of chlorinated persistent organic pollutants by hydroxyl radicals via ozone and UV light irradiation Green Chemistry, 2023, 25, 9695-9704 |
| 9004190 | CIF | As Ca Co0.04 Cu0.01 H Mg0.06 Ni0.67 O5 Zn0.22 | P 21 21 21 | 7.455; 8.955; 5.916 90; 90; 90 | 394.949 | Cesbron, F. P.; Ginderow, D.; Giraud, R.; Pelisson, P.; Pillard, F. La nickelaustinite Ca(Ni,Zn)(AsO4)(OH): Nouvelle espece minerale du district cobalto-nickelifere de Bou-Azzer, Maroc Note: signs changed on y-coordinates of O1 and O2 The Canadian Mineralogist, 1987, 25, 401-407 |
| 9004191 | CIF | Al K0.95 Na0.05 O8 Si3 | C -1 | 8.5714; 12.9646; 7.2217 90.6; 115.9; 87.7 | 721.3 | Blasi, A.; De Pol Blasi, C.; Zanazzi, P. F. A re-examination of the Pellotsalo microcline: Mineralogical implications and genetic considerations The Canadian Mineralogist, 1987, 25, 527-537 |
| 9004192 | CIF | B3 K Na2 O30 Si12 | P 6/m c c | 10.253; 10.253; 13.503 90; 90; 120 | 1229.31 | Grice, J. D.; Ercit, T. S.; Van Velthuizen, J.; Dunn, P. J. Poudretteite, KNa2B3Si12O30, a new member of the osumilite group from Mont Saint-Hilaire, Quebec, and its crystal structure The Canadian Mineralogist, 1987, 25, 763-766 |
| 9004193 | CIF | Be Ca2 H9 O16 P3 Zn | P -1 | 7.13; 7.43; 12.479 94.3; 102.1; 82.7 | 640.363 | Hawthorne, F. C.; Grice, J. D. The crystal structure of ehrleite, a tetrahedral sheet structure The Canadian Mineralogist, 1987, 25, 767-774 |
| 9006525 | CIF | Al2 O5 Si | P b n m | 7.4857; 7.675; 5.7751 90; 90; 90 | 331.795 | Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T. Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 0.00 GPa Physics and Chemistry of Minerals, 1997, 25, 39-47 |
| 9006526 | CIF | Al2 O5 Si | P b n m | 7.4732; 7.652; 5.7631 90; 90; 90 | 329.562 | Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T. Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 1.23 GPa Physics and Chemistry of Minerals, 1997, 25, 39-47 |
| 9006527 | CIF | Al2 O5 Si | P b n m | 7.4537; 7.6238; 5.756 90; 90; 90 | 327.088 | Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T. Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 2.54 GPa Physics and Chemistry of Minerals, 1997, 25, 39-47 |
| 9006528 | CIF | Al2 O5 Si | P b n m | 7.4345; 7.5989; 5.7507 90; 90; 90 | 324.88 | Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T. Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 3.72 GPa Physics and Chemistry of Minerals, 1997, 25, 39-47 |
| 9006529 | CIF | Al2 O5 Si | P b n m | 7.4146; 7.5739; 5.745 90; 90; 90 | 322.624 | Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T. Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 5.29 GPa Physics and Chemistry of Minerals, 1997, 25, 39-47 |
| 9006530 | CIF | D2 Mn O2 | P -3 m 1 | 3.318; 3.318; 4.717 90; 90; 120 | 44.973 | Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S. Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.0 GPa Physics and Chemistry of Minerals, 1998, 25, 130-137 |
| 9006531 | CIF | D2 Mn O2 | P -3 m 1 | 3.305; 3.305; 4.675 90; 90; 120 | 44.224 | Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S. Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.7 GPa Physics and Chemistry of Minerals, 1998, 25, 130-137 |
| 9006532 | CIF | D2 Mn O2 | P -3 m 1 | 3.281; 3.281; 4.579 90; 90; 120 | 42.689 | Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S. Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 2.4 GPa Physics and Chemistry of Minerals, 1998, 25, 130-137 |
| 9006533 | CIF | D2 Mn O2 | P -3 m 1 | 3.25; 3.25; 4.497 90; 90; 120 | 41.136 | Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S. Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 4.6 GPa Physics and Chemistry of Minerals, 1998, 25, 130-137 |
| 9006534 | CIF | D2 Mn O2 | P -3 m 1 | 3.208; 3.208; 4.416 90; 90; 120 | 39.358 | Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S. Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 7.8 GPa Physics and Chemistry of Minerals, 1998, 25, 130-137 |
| 9006535 | CIF | Co D2 O2 | P -3 m 1 | 3.1834; 3.1834; 4.6445 90; 90; 120 | 40.762 | Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S. Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.0 GPa Physics and Chemistry of Minerals, 1998, 25, 130-137 |
| 9006536 | CIF | Co D2 O2 | P -3 m 1 | 3.167; 3.167; 4.6 90; 90; 120 | 39.956 | Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S. Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.5 GPa Physics and Chemistry of Minerals, 1998, 25, 130-137 |
| 9006537 | CIF | Co D2 O2 | P -3 m 1 | 3.139; 3.139; 4.483 90; 90; 120 | 38.254 | Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S. Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 3.3 GPa Physics and Chemistry of Minerals, 1998, 25, 130-137 |
| 9006538 | CIF | Co D2 O2 | P -3 m 1 | 3.109; 3.109; 4.414 90; 90; 120 | 36.949 | Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S. Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 5.6 GPa Physics and Chemistry of Minerals, 1998, 25, 130-137 |
| 9006539 | CIF | Co D2 O2 | P -3 m 1 | 3.084; 3.084; 4.363 90; 90; 120 | 35.937 | Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S. Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 7.5 GPa Physics and Chemistry of Minerals, 1998, 25, 130-137 |
| 9006540 | CIF | Co D2 O2 | P -3 m 1 | 3.059; 3.059; 4.283 90; 90; 120 | 34.709 | Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S. Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 9.5 GPa Physics and Chemistry of Minerals, 1998, 25, 130-137 |
| 9006541 | CIF | Mn7 O12 Si | I 41/a c d :2 | 9.4264; 9.4264; 18.6962 90; 90; 90 | 1661.29 | Miletich, R.; Allan, D. R.; Angel, R. J. Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample in air: P = 0.0001 GPa Physics and Chemistry of Minerals, 1998, 25, 183-192 |
| 9006542 | CIF | Mn7 O12 Si | I 41/a c d :2 | 9.4266; 9.4266; 18.6952 90; 90; 90 | 1661.27 | Miletich, R.; Allan, D. R.; Angel, R. J. Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample in Diamond Anvil Cell without pressure medium: P = 0.0001 GPa Physics and Chemistry of Minerals, 1998, 25, 183-192 |
| 9006543 | CIF | Mn7 O12 Si | I 41/a c d :2 | 9.4007; 9.4007; 18.6574 90; 90; 90 | 1648.81 | Miletich, R.; Allan, D. R.; Angel, R. J. Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 1.38 GPa Physics and Chemistry of Minerals, 1998, 25, 183-192 |
| 9006544 | CIF | Mn7 O12 Si | I 41/a c d :2 | 9.3786; 9.3786; 18.6234 90; 90; 90 | 1638.08 | Miletich, R.; Allan, D. R.; Angel, R. J. Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 2.66 GPa Physics and Chemistry of Minerals, 1998, 25, 183-192 |
| 9006545 | CIF | Mn7 O12 Si | I 41/a c d :2 | 9.348; 9.348; 18.5739 90; 90; 90 | 1623.08 | Miletich, R.; Allan, D. R.; Angel, R. J. Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 4.51 GPa Physics and Chemistry of Minerals, 1998, 25, 183-192 |
| 9006546 | CIF | Mn7 O12 Si | I 41/a c d :2 | 9.3309; 9.3309; 18.5455 90; 90; 90 | 1614.68 | Miletich, R.; Allan, D. R.; Angel, R. J. Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 5.63 GPa Physics and Chemistry of Minerals, 1998, 25, 183-192 |
| 9006547 | CIF | Mn7 O12 Si | I 41/a c d :2 | 9.2998; 9.2998; 18.4957 90; 90; 90 | 1599.62 | Miletich, R.; Allan, D. R.; Angel, R. J. Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 7.69 GPa Physics and Chemistry of Minerals, 1998, 25, 183-192 |
| 9006555 | CIF | Fe0.39 Mg0.61 O3 Si | P 1 21/c 1 | 9.6519; 8.9075; 5.2004 90; 108.59; 90 | 423.773 | Angel, R. J.; McCammon, C. A.; Woodland, A. B. Structure, ordering and cation interactions in Ca-free P2_1/c clinopyroxenes Sample: H162 Note: x coordinate of O2B changed by author, May, 2004 Physics and Chemistry of Minerals, 1998, 25, 249-258 |
| 9006556 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.4545; 11.4545; 11.4545 90; 90; 90 | 1502.89 | Zhang, L.; Ahsbahs, H.; Kutoglu, A. Hydrostatic compression and crystal structure of pyrope to 33 GPa Sample: P = 0.0 GPa Physics and Chemistry of Minerals, 1998, 25, 301-307 |
| 9006557 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.3846; 11.3846; 11.3846 90; 90; 90 | 1475.55 | Zhang, L.; Ahsbahs, H.; Kutoglu, A. Hydrostatic compression and crystal structure of pyrope to 33 GPa Sample: P = 3.48 GPa Physics and Chemistry of Minerals, 1998, 25, 301-307 |
| 9006558 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.2893; 11.2893; 11.2893 90; 90; 90 | 1438.8 | Zhang, L.; Ahsbahs, H.; Kutoglu, A. Hydrostatic compression and crystal structure of pyrope to 33 GPa Sample: P = 8.57 GPa Physics and Chemistry of Minerals, 1998, 25, 301-307 |
| 9006559 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.2353; 11.2353; 11.2353 90; 90; 90 | 1418.25 | Zhang, L.; Ahsbahs, H.; Kutoglu, A. Hydrostatic compression and crystal structure of pyrope to 33 GPa Sample: P = 11.53 GPa Physics and Chemistry of Minerals, 1998, 25, 301-307 |
| 9006560 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.1717; 11.1717; 11.1717 90; 90; 90 | 1394.31 | Zhang, L.; Ahsbahs, H.; Kutoglu, A. Hydrostatic compression and crystal structure of pyrope to 33 GPa Sample: P = 15.28 GPa Physics and Chemistry of Minerals, 1998, 25, 301-307 |
| 9006561 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.0335; 11.0335; 11.0335 90; 90; 90 | 1343.2 | Zhang, L.; Ahsbahs, H.; Kutoglu, A. Hydrostatic compression and crystal structure of pyrope to 33 GPa Sample: P = 24.07 GPa Physics and Chemistry of Minerals, 1998, 25, 301-307 |
| 9006562 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 10.9339; 10.9339; 10.9339 90; 90; 90 | 1307.15 | Zhang, L.; Ahsbahs, H.; Kutoglu, A. Hydrostatic compression and crystal structure of pyrope to 33 GPa Sample: P = 32.47 GPa Physics and Chemistry of Minerals, 1998, 25, 301-307 |
| 9006563 | CIF | Al1.388 Ca0.742 Fe0.162 Mg0.016 O6 Si1.5 | C 1 2/c 1 | 9.719; 8.814; 5.305 90; 106.04; 90 | 436.752 | Okui, M.; Sawada, H.; Marumo, F. Structure refinement of a nonstoichiometric pyroxene synthesized under ambient pressure Physics and Chemistry of Minerals, 1998, 25, 318-322 |
| 9006564 | CIF | Al0.536 Fe2 H2 Na0.5 O12 Si3.464 | C 1 2/m 1 | 5.277; 9.14; 9.78 90; 101; 90 | 463.04 | Manceau, A.; Chateigner, D.; Gates, W. P. Polarized EXAFS, distance-valence least-squares modelling (DVLS), and quantitative texture analysis approaches to the structural refinement of Garfield nontronite Physics and Chemistry of Minerals, 1998, 25, 347-365 |
| 9006565 | CIF | Fe6.5 H2 Mg0.1 Mn0.4 O24 Si8 | P n m n | 9.388; 18.387; 5.347 90; 90; 90 | 922.984 | Sueno, S.; Matsuura, S.; Gibbs, G. V.; Boisen, M. B. A crystal chemical study of protoanthophyllite: orthoamphiboles with the protoamphibole structure Sample: PFA Hiruka Village Physics and Chemistry of Minerals, 1998, 25, 366-377 |
| 9006566 | CIF | Fe4.699 H2 Mg0.901 Mn1.4 O24 Si8 | P n m n | 9.425; 18.303; 5.345 90; 90; 90 | 922.043 | Sueno, S.; Matsuura, S.; Gibbs, G. V.; Boisen, M. B. A crystal chemical study of protoanthophyllite: orthoamphiboles with the protoamphibole structure Sample: PMFA Yokene Mine Physics and Chemistry of Minerals, 1998, 25, 366-377 |
| 9006567 | CIF | Cd K2 O4 Si | F -4 3 m | 7.947; 7.947; 7.947 90; 90; 90 | 501.891 | Dollase, W. A. Transformations of the stuffed cristobalites, K2MSiO4, M = Mg, Zn, Co, Cd, with temperature and composition Physics and Chemistry of Minerals, 1998, 25, 389-392 |
| 9006568 | CIF | Ca O5 Si2 | P -1 | 7.243; 7.546; 6.501 81.43; 84.82; 69.6 | 329.031 | Kudoh, Y.; Kanzaki, M. Crystal chemical characteristics of alpha-CaSi2O5, a new high pressure calcium silicate with five-coordinated silicon synthesized at 1500 C and 10 GPa Physics and Chemistry of Minerals, 1998, 25, 429-433 |
| 9006569 | CIF | Al1.839 Cr0.078 Fe0.283 Mg0.777 Ni0.014 O4 Si0.003 Zn0.007 | F d -3 m :2 | 8.1252; 8.1252; 8.1252 90; 90; 90 | 536.417 | Menegazzo, G.; Carbonin, S. Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: TS11B1, unheated, T = 25 C Physics and Chemistry of Minerals, 1998, 25, 541-547 |
| 9006570 | CIF | Al1.835 Cr0.078 Fe0.29 Mg0.774 Ni0.014 O4 Si0.002 Zn0.007 | F d -3 m :2 | 8.1233; 8.1233; 8.1233 90; 90; 90 | 536.04 | Menegazzo, G.; Carbonin, S. Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: TS11B2, quenched from T = 1150 C after 3 hours Physics and Chemistry of Minerals, 1998, 25, 541-547 |
| 9006571 | CIF | Al1.839 Cr0.078 Fe0.283 Mg0.777 Ni0.014 O4 Si0.003 Zn0.007 | F d -3 m :2 | 8.1218; 8.1218; 8.1218 90; 90; 90 | 535.743 | Menegazzo, G.; Carbonin, S. Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: TS11B3, quenched from T = 1150 C after 5 hours Physics and Chemistry of Minerals, 1998, 25, 541-547 |
| 9006572 | CIF | Al1.835 Cr0.079 Fe0.221 Mg0.775 Ni0.014 O4 Zn0.007 | F d -3 m :2 | 8.107; 8.107; 8.107 90; 90; 90 | 532.82 | Menegazzo, G.; Carbonin, S. Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: TS11B4, quenched from T = 1150 C after 27 hours Physics and Chemistry of Minerals, 1998, 25, 541-547 |
| 9006573 | CIF | Al1.84 Cr0.078 Fe0.213 Mg0.776 Ni0.014 O4 Si0.003 Zn0.007 | F d -3 m :2 | 8.1082; 8.1082; 8.1082 90; 90; 90 | 533.057 | Menegazzo, G.; Carbonin, S. Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: TS11B5, quenched from T = 1150 C after 49 hours Physics and Chemistry of Minerals, 1998, 25, 541-547 |
| 9006574 | CIF | Al1.838 Cr0.078 Fe0.216 Mg0.776 Ni0.014 O4 Si0.002 Zn0.007 | F d -3 m :2 | 8.106; 8.106; 8.106 90; 90; 90 | 532.623 | Menegazzo, G.; Carbonin, S. Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: TS11B6, quenched from T = 1150 C after 202 hours Physics and Chemistry of Minerals, 1998, 25, 541-547 |
| 9006575 | CIF | Al1.839 Cr0.078 Fe0.216 Mg0.776 Ni0.014 O4 Si0.002 Zn0.007 | F d -3 m :2 | 8.111; 8.111; 8.111 90; 90; 90 | 533.609 | Menegazzo, G.; Carbonin, S. Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: TS11B7, temperature lowered from T = 1150 C to 280 C in 117 hours Physics and Chemistry of Minerals, 1998, 25, 541-547 |
| 9006576 | CIF | Al1.808 Cr0.127 Fe0.225 Mg0.825 Ni0.008 O4 Si0.001 Ti0.004 Zn0.002 | F d -3 m :2 | 8.1259; 8.1259; 8.1259 90; 90; 90 | 536.555 | Menegazzo, G.; Carbonin, S. Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: LE20A1, unheated Physics and Chemistry of Minerals, 1998, 25, 541-547 |
| 9006577 | CIF | Al1.802 Cr0.125 Fe0.219 Mg0.808 Ni0.008 O4 Si0.001 Ti0.004 Zn0.002 | F d -3 m :2 | 8.1171; 8.1171; 8.1171 90; 90; 90 | 534.814 | Menegazzo, G.; Carbonin, S. Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: LE20A3, quenched from T = 1150 C after 0.5 hours Physics and Chemistry of Minerals, 1998, 25, 541-547 |
| 9006578 | CIF | Al1.775 Cr0.125 Fe0.218 Mg0.808 Ni0.008 O4 Si0.002 Ti0.004 Zn0.002 | F d -3 m :2 | 8.1166; 8.1166; 8.1166 90; 90; 90 | 534.715 | Menegazzo, G.; Carbonin, S. Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: LE20A4, quenched from T = 1150 C after 5.5 hours Physics and Chemistry of Minerals, 1998, 25, 541-547 |
| 9006579 | CIF | Al1.771 Cr0.125 Fe0.222 Mg0.808 Ni0.009 O4 Si0.001 Ti0.004 Zn0.002 | F d -3 m :2 | 8.1142; 8.1142; 8.1142 90; 90; 90 | 534.241 | Menegazzo, G.; Carbonin, S. Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: LE20A5, quenched from T = 1150 C after 30.5 hours Physics and Chemistry of Minerals, 1998, 25, 541-547 |
| 9006580 | CIF | Al O3 Sc | P b n m | 4.9371; 5.2322; 7.2042 90; 90; 90 | 186.098 | Ross, N. L. High pressure study of ScAlO3 perovskite Sample: P = 0.0 GPa Physics and Chemistry of Minerals, 1998, 25, 597-602 |
| 9006581 | CIF | Al O3 Sc | P b n m | 4.9192; 5.2155; 7.1684 90; 90; 90 | 183.913 | Ross, N. L. High pressure study of ScAlO3 perovskite Sample: P = 2.58 GPa Physics and Chemistry of Minerals, 1998, 25, 597-602 |
| 9006582 | CIF | Al O3 Sc | P b n m | 4.9149; 5.2121; 7.162 90; 90; 90 | 183.469 | Ross, N. L. High pressure study of ScAlO3 perovskite Sample: P = 3.21 GPa Physics and Chemistry of Minerals, 1998, 25, 597-602 |
| 9006583 | CIF | Al O3 Sc | P b n m | 4.904; 5.2033; 7.1416 90; 90; 90 | 182.232 | Ross, N. L. High pressure study of ScAlO3 perovskite Sample: P = 4.72 GPa Physics and Chemistry of Minerals, 1998, 25, 597-602 |
| 9007508 | CIF | B F4 K | P n m a | 8.6588; 5.48; 7.0299 90; 90; 90 | 333.57 | Brunton, G. The crystal structure of KBF4 Acta Crystallographica, Section B, 1969, 25, 2161-2162 |
| 9007509 | CIF | Al2.71 Ca1.9 Fe0.15 H3 Mg0.45 O14 Si2.79 | A 1 2/m 1 | 8.83; 5.9; 19.17 90; 97.12; 90 | 990.998 | Galli, E.; Alberti, A. On the crystal structure of pumpellyite Acta Crystallographica, Section B, 1969, 25, 2276-2281 |
| 9009594 | CIF | Al2.126 Ca2 H22 O15.72 Si1.434 | P 63/m | 5.755; 5.755; 25.12 90; 90; 120 | 720.512 | Galli, E.; Passaglia, E. Vertumnite: its crystal structure and relationship with natural and synthetic phases Locality: Campomorto, Montalto di Castro Tschermaks Mineralogische und Petrographische Mitteilungen, 1978, 25, 33-46 |
| 9009595 | CIF | Al F7 Mg Na2 | I m m a | 7.06; 10; 7.303 90; 90; 90 | 515.592 | Giuseppetti, G.; Tadini, C. Re-examination of the crystal structure of weberite Tschermaks Mineralogische und Petrographische Mitteilungen, 1978, 25, 57-62 |
| 9009596 | CIF | Fe2 H14 Mn O16 P2 | P -1 | 10.228; 9.837; 7.284 90.17; 98.44; 117.44 | 641.284 | Fanfani, L.; Tomassini, M.; Zanazzi, P. F.; Zanzari, A. R. The crystal structure of strunzite, a contribution to the crystal chemistry of basic ferric-manganous hydrated phosphates Tschermaks Mineralogische und Petrographische Mitteilungen, 1978, 25, 77-87 |
| 9009597 | CIF | As3 H Mn O9 Pb3 | P 1 n 1 | 7.26; 6.78; 11.09 90; 91.5; 90 | 545.694 | Pertlik, F. The crystal structure of trigonite, Pb3Mn(AsO3)2(AsO2(OH)) Tschermaks Mineralogische und Petrographische Mitteilungen, 1978, 25, 95-105 |
| 9009598 | CIF | As2 Fe0.65 H2.65 O9 Pb2 Zn0.35 | P 1 21/m 1 | 7.763; 6.046; 9.022 90; 112.5; 90 | 391.215 | Hofmeister, W.; Tillmanns, E. Strukturelle untersuchungen an arsenbrackebuschit Tschermaks Mineralogische und Petrographische Mitteilungen, 1978, 25, 153-163 |
| 9009907 | CIF | As2 Ir | P 1 21/c 1 | 6.0549; 6.0717; 6.1587 90; 113.197; 90 | 208.111 | Kjekshus, A. On the properties of binary compounds with the CoSb2 type crystal structure Acta Chemica Scandinavica, 1971, 25, 411-422 |
| 9009908 | CIF | As2 Co | P 1 21/c 1 | 5.9106; 5.868; 5.9587 90; 116.432; 90 | 185.064 | Kjekshus, A. On the properties of binary compounds with the CoSb2 type crystal structure Acta Chemica Scandinavica, 1971, 25, 411-422 |
| 9009909 | CIF | Cu O3 Te | P m c n | 7.604; 5.837; 12.705 90; 90; 90 | 563.906 | Lindqvist, O. On the crystal structures of CuTeO3 and CuTe2O5 Acta Chemica Scandinavica, 1971, 25, 740-740 |
| 9011089 | CIF | Ga | C 1 2/c 1 | 2.766; 8.053; 3.332 90; 92.02; 90 | 74.173 | Bosio, L.; Defrain, A.; Curien, H.; Rimsky, A. Structure cristalline du gallium-beta Sample: at T = 248.15 K Note: structure known as beta phase Acta Crystallographica, Section B, 1969, 25, 995-995 |
| 9011090 | CIF | Fe7 O10 Si | P 1 21/m 1 | 21.4; 3.06; 5.88 90; 98; 90 | 381.299 | Smuts, J.; Steyn, J. G. D.; Boeyens, J. C. A. The crystal structure of an iron silicate, iscorite Acta Crystallographica, Section B, 1969, 25, 1251-1255 |
| 9011091 | CIF | Ca5 H O13 P3 | P 63/m | 9.424; 9.424; 6.879 90; 90; 120 | 529.086 | Sudarsanan, K.; Young, R. A. Significant precision in crystal structural details: Holly Springs hydroxyapatite Locality: Holly Springs, Cherokee County, Georgia, USA Sample: X-23-4 Acta Crystallographica, Section B, 1969, 25, 1534-1543 |
| 9011092 | CIF | Ca5 H O13 P3 | P 63/m | 9.424; 9.424; 6.879 90; 90; 120 | 529.086 | Sudarsanan, K.; Young, R. A. Significant precision in crystal structural details: Holly Springs hydroxyapatite Locality: Holly Springs, Cherokee County, Georgia, USA Sample: X-23-6 Acta Crystallographica, Section B, 1969, 25, 1534-1543 |
| 9011093 | CIF | Ca5 H O13 P3 | P 63/m | 9.424; 9.424; 6.879 90; 90; 120 | 529.086 | Sudarsanan, K.; Young, R. A. Significant precision in crystal structural details: Holly Springs hydroxyapatite Locality: Holly Springs, Cherokee County, Georgia, USA Sample: X-23-10 Acta Crystallographica, Section B, 1969, 25, 1534-1543 |
| 9011094 | CIF | Ca5 H O13 P3 | P 63/m | 9.424; 9.424; 6.879 90; 90; 120 | 529.086 | Sudarsanan, K.; Young, R. A. Significant precision in crystal structural details: Holly Springs hydroxyapatite Locality: Holly Springs, Cherokee County, Georgia, USA Sample: Neutron Acta Crystallographica, Section B, 1969, 25, 1534-1543 |
| 9011099 | CIF | Cl Fe2 O12 Te4 | P -1 | 8.89; 5.08; 6.63 103.17; 107.08; 77.87 | 275.366 | Dusausoy, Y.; Protas, J. Determination et etude de la structure cristalline de la rodalquilarite, chlorotellurite acide de fer Acta Crystallographica, Section B, 1969, 25, 1551-1558 |
| 9011100 | CIF | C H30 Ca3 Mn O25 S | P 63 | 11.06; 11.06; 10.5 90; 90; 120 | 1112.32 | Granger, M. M.; Protas, J. Determination et etude de la structure cristalline de la jouravskite Ca3MnIV(SO4)(CO3)(OH)*12(H2O) Acta Crystallographica, Section B, 1969, 25, 1943-1951 |
| 9011101 | CIF | B5 H4 N O10 | P 1 21/c 1 | 9.47; 7.63; 11.65 90; 97.08; 90 | 835.365 | Merlino, S.; Sartori, F. The crystal structure of lardellite, NH4B5O7(OH)2*H2O Acta Crystallographica, Section B, 1969, 25, 2264-2270 |
| 9011102 | CIF | C H20 Na2 O13 | C 1 c 1 | 12.83; 9.026; 13.44 90; 123; 90 | 1305.31 | Taga, T. Crystal structure of Na2CO3*10H2O Acta Crystallographica, Section B, 1969, 25, 2656-2657 |
| 9011602 | CIF | Al | F m -3 m | 4.046; 4.046; 4.046 90; 90; 90 | 66.233 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2 Physical Review, 1925, 25, 753-761 |
| 9011603 | CIF | Ni | F m -3 m | 3.499; 3.499; 3.499 90; 90; 90 | 42.838 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2 Physical Review, 1925, 25, 753-761 |
| 9011604 | CIF | Cu | F m -3 m | 3.597; 3.597; 3.597 90; 90; 90 | 46.539 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1,2 & 3 Physical Review, 1925, 25, 753-761 |
| 9011605 | CIF | Mo | I m -3 m | 3.142; 3.142; 3.142 90; 90; 90 | 31.018 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2 Physical Review, 1925, 25, 753-761 |
| 9011606 | CIF | Mo | I m -3 m | 3.136; 3.136; 3.136 90; 90; 90 | 30.841 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 3 & 4 Physical Review, 1925, 25, 753-761 |
| 9011607 | CIF | Ag | F m -3 m | 4.079; 4.079; 4.079 90; 90; 90 | 67.867 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2 Physical Review, 1925, 25, 753-761 |
| 9011608 | CIF | Ag | F m -3 m | 4.058; 4.058; 4.058 90; 90; 90 | 66.825 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 3 & 4 Physical Review, 1925, 25, 753-761 |
| 9011609 | CIF | W | I m -3 m | 3.155; 3.155; 3.155 90; 90; 90 | 31.405 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2 Physical Review, 1925, 25, 753-761 |
| 9011610 | CIF | W | I m -3 m | 3.157; 3.157; 3.157 90; 90; 90 | 31.465 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: run 3 Physical Review, 1925, 25, 753-761 |
| 9011611 | CIF | W | I m -3 m | 3.158; 3.158; 3.158 90; 90; 90 | 31.495 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 3 & 4 Physical Review, 1925, 25, 753-761 |
| 9011612 | CIF | Au | F m -3 m | 4.065; 4.065; 4.065 90; 90; 90 | 67.171 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2 Physical Review, 1925, 25, 753-761 |
| 9011613 | CIF | Au | F m -3 m | 4.073; 4.073; 4.073 90; 90; 90 | 67.568 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1,2 & 3 Physical Review, 1925, 25, 753-761 |
| 9011614 | CIF | Bi | P 63/m m c | 4.539; 4.539; 11.829 90; 90; 120 | 211.057 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2 Physical Review, 1925, 25, 753-761 |
| 9011655 | CIF | Sc | P 4/n m m :1 | 4.73; 4.73; 3.18 90; 90; 90 | 71.146 | Vohra, Y. K.; Grosshans, W.; Holzapfel, W. B. High-pressure phase transformation in scandium Sample: at P = 33.5 GPa Physical Review B, 1982, 25, 6019-6021 |
| 9011876 | CIF | Ca5 H2 O10 Si2 | P 1 1 21/b | 8.9207; 11.4481; 5.0759 90; 90; 108.32 | 492.103 | Kuznetsova, T. P.; Nevskii, N. N.; Ilyukhin, V. V.; Belov, N. V. Refinement of the crystal structure of calcium chondrodite Ca5[SiO4]2(OH)2=Ca(OH)2*2Ca2SiO4 Locality: synthetic Soviet Physics Crystallography, 1980, 25, 91-92 |
| 9011877 | CIF | Ca2 Na6 O14 P2 Si2 | P 1 2/c 1 | 7.303; 12.201; 14.715 90; 91.93; 90 | 1310.42 | Krutik, V. M.; Pushcharovsky, D. Y.; Khomyakov, A. P.; Pobedimskaya, E. A.; Belov, N. V. Anion radical of mixed type (four [S4O12] rings and P orthotetrahedra) in the structure of monoclinic fosinaite Soviet Physics Crystallography, 1980, 25, 138-142 |
| 9011878 | CIF | Ce2 H8 Na4 O33 Si12 | P m m 2 | 7.5; 15.62; 7.35 90; 90; 90 | 861.052 | Shumyatskaya, N. G.; Voronkov, A. A.; Pyatenko, Y. A. Sazhinite, Na2Ce[Si6O14(OH)]*nH2O: a new representative of the dalyite family in crystal chemistry Soviet Physics Crystallography, 1980, 25, 419-423 |
| 9011899 | CIF | C Mn Na3 O7 P | P 1 21/m 1 | 8.997; 6.741; 5.163 90; 90.16; 90 | 313.128 | Kurova, T. A.; Shumyatskaya, N. G.; Voronkov, A. A.; Pyatenko, Y. A. Crystal structure of sidorenkite Na3Mn(PO4)(CO3) Soviet Physics Doklady, 1980, 25, 156-157 |
| 9011900 | CIF | B2 Ca Fe0.11 Mg0.89 O5 | P 1 1 21/b | 12.45; 5.514; 11.145 90; 90; 104.13 | 741.948 | Simonov, M. A.; Egorov-Tismenko Y K; Yamnova, M. A.; Belokoneva, E. L.; Belov, N. V. Crystal structure of natural monoclinic kurchatovite Ca2(Mg0.86Fe0.14)(Mg0.92Fe0.08)[B2O5]2 Soviet Physics Doklady, 1980, 25, 1125-1128 |
| 9012513 | CIF | Fe5 H6 O20 P4 | C 1 2/c 1 | 17.492; 9.038; 9.349 90; 96.23; 90 | 1469.28 | Corbin, D. R.; Whitney, J. F.; Fultz, W. C.; Stucky, G. D.; Eddy, M. M.; Cheetham, A. K. Synthesis of open-framework transition-metal phosphates using organometallic precursors in acidic media. Preparation and structural characterization of Fe5P4O20H10 and NaFe3P3O12 Note: structure from ICSD Inorganic Chemistry, 1986, 25, 2279-2280 |
| 9012514 | CIF | Fe3 Na O12 P3 | C 1 2/c 1 | 11.998; 12.328; 6.5 90; 114.185; 90 | 877.037 | Corbin, D. R.; Whitney, J. F.; Fultz, W. C.; Stucky, G. D.; Eddy, M. M.; Cheetham, A. K. Synthesis of open-framework transition-metal phosphates using organometallic precursors in acidic media. Preparation and structural characterization of Fe5P4O20H10 and NaFe3P3O12 Note: structure from ICSD Inorganic Chemistry, 1986, 25, 2279-2280 |
| 9012547 | CIF | H3 Na O5 S | C 1 c 1 | 7.799; 7.79; 8.23 90; 119.95; 90 | 433.237 | Grimvall, S. The crystal structure of NaHSO4H2O Acta Chemica Scandinavica, 1971, 25, 3213-3219 |
| 9013144 | CIF | Ca0.44 Ce2.1 Fe1.72 La1.46 Mg0.4 Nb0.04 O22 Si4 Ti2.84 | P 1 21/a 1 | 13.4656; 5.7356; 11.0977 90; 100.636; 90 | 842.386 | Li, G.; Yang, G.; Ma, Z.; Shi, N.; Xiong, M.; Sheng, G.; Fan, H. The crystal structure of a new mineral dingdaohengite-(Ce) Kuangwu Xuebao, 2005, 25, 313-320 |
| 9013145 | CIF | Ca0.44 Ce2.1 Fe1.72 La1.46 Mg0.4 Nb0.04 O22 Si4 Ti2.84 | C 1 2/m 1 | 13.4656; 5.7356; 11.0977 90; 100.636; 90 | 842.386 | Li, G.; Yang, G.; Ma, Z.; Shi, N.; Xiong, M.; Sheng, G.; Fan, H. The crystal structure of a new mineral dingdaohengite-(Ce) Kuangwu Xuebao, 2005, 25, 313-320 |
| 9013414 | CIF | Fe | I m -3 m | 2.858; 2.858; 2.858 90; 90; 90 | 23.345 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2 Physical Review, 1925, 25, 753-761 |
| 9013415 | CIF | Fe | I m -3 m | 2.855; 2.855; 2.855 90; 90; 90 | 23.271 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 3 & 4 Physical Review, 1925, 25, 753-761 |
| 9013416 | CIF | Pd | F m -3 m | 3.859; 3.859; 3.859 90; 90; 90 | 57.468 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2 Physical Review, 1925, 25, 753-761 |
| 9013417 | CIF | Pt | F m -3 m | 3.912; 3.912; 3.912 90; 90; 90 | 59.868 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of three runs Physical Review, 1925, 25, 753-761 |
| 9013418 | CIF | Pb | F m -3 m | 4.92; 4.92; 4.92 90; 90; 90 | 119.095 | Davey, W. P. Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2 Physical Review, 1925, 25, 753-761 |
| 9013469 | CIF | Ca2 Fe2 O5 | P n m a | 5.4253; 14.7687; 5.598 90; 90; 90 | 448.538 | Berggren, J. Refinement of the crystal structure of dicalcium ferrite, Ca2Fe2O5 Acta Chemica Scandinavica, 1971, 25, 3616-3624 |
| 9014118 | CIF | Na Nb O3 | P b m a | 5.566; 15.52; 5.506 90; 90; 90 | 475.632 | Sakowski-Cowley A C; Lukaszewicz, K.; Megaw, H. D. The structure of sodium niobate at room temperature, and the problem of reliability in pseudosymmetric structures Acta Crystallographica, Section B, 1969, 25, 851-865 |
| 9014372 | CIF | Al6 B3 F Fe3 Na O30 Si6 | R 3 m :H | 15.869; 15.869; 7.188 90; 90; 120 | 1567.61 | Barton, R. Refinement of the crystal structure of buergerite and the absolute orientation of tourmalines Acta Crystallographica, Section B, 1969, 25, 1524-1533 |
| 9015441 | CIF | N O6 P V | P b c a | 6.8064; 9.2567; 17.732 90; 90; 90 | 1117.2 | Amoros, P.; Beltran-Porter D; Le Bail, A.; Ferey, G.; Villeneuve, G. Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved from X-ray powder diffraction _cod_database_code 1000080 European Journal of Solid State and Inorganic Chemistry, 1988, 25, 599-607 |
| 9015591 | CIF | Li Nb3 O8 | P 1 21/a 1 | 15.262; 5.033; 7.457 90; 107.34; 90 | 546.767 | Lundberg, M. The crystal structure of LiNb3O8 Note: isostructural with lithiotantite Acta Chemica Scandinavica, 1971, 25, 3337-3346 |
| 9016197 | CIF | O6 P Rb V | P b c a | 6.8182; 9.291; 17.631 90; 90; 90 | 1116.89 | Amoros, P.; Beltran-Porter D; Le Bail, A.; Ferey, G.; Villeneuve, G. Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved from X-ray powder diffraction _cod_database_code 1000081 European Journal of Solid State and Inorganic Chemistry, 1988, 25, 599-607 |
| 9016263 | CIF | Ba Be F O4 P | F 1 | 6.889; 16.814; 6.902 90.01; 89.99; 90.32 | 799.458 | Simonov, M. A.; Egorov-Tismenko Y K; Belov, N. V. Use of modern X-ray equipment to solve fine problems of structural mineralogy by the example of the crystal structure of babefphite BaBe(PO4)F Soviet Physics Crystallography, 1980, 25, 28-31 |
| 9016662 | CIF | Ag4 Mn S6 Sb2 | P 1 21/n 1 | 10.31; 8.07; 6.62 90; 92.68; 90 | 550.193 | Hruskova, J.; Synecek, V. The crystal structure of samsonite, 2 Ag2S*MnS*Sb2S3 Acta Crystallographica, Section B, 1969, 25, 1004-1006 |
| 9017211 | CIF | Al0.824 Ca3 Fe1.176 O8 Ti | P m m a | 5.42; 11.064; 5.5383 90; 90; 90 | 332.115 | Sharygin, V. V.; Lazic, B.; Armbruster, T. M.; Murashko, M. N.; Wirth, R.; Galuskina, I. O.; Galuskin, E. V.; Vapnik, Y.; Britvin, S. N.; Logvinova, A. M. Shulamitite Ca3TiFe3+AlO8 - a new perovskite-related mineral from Hatrurim Basin, Israel European Journal of Mineralogy, 2013, 25, 97-111 |
| 9017212 | CIF | Ba O24 Si7 Yb6 | P 1 21/m 1 | 5.5173; 27.26; 6.815 90; 106.73; 90 | 981.601 | Wierzbicka-Wieczorek M; Kolitsch, U. BaYb6(Si2O7)2(Si3O10) - the first silicate containing both Si2O7 and Si3O10 groups: synthesis, crystal chemistry and topology European Journal of Mineralogy, 2013, 25, 509-517 |
| 9017213 | CIF | Al Cs0.02 K0.83 Na0.15 O8 Si3 | C 1 2/m 1 | 8.5497; 13.0216; 7.1843 90; 115.988; 90 | 718.959 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Sample H002 European Journal of Mineralogy, 2013, 25, 597-614 |
| 9017214 | CIF | Al K0.93 Na0.07 O8 Si3 | C 1 2/m 1 | 8.5739; 12.9874; 7.2018 90; 116.042; 90 | 720.521 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Sample H003 European Journal of Mineralogy, 2013, 25, 597-614 |
| 9017215 | CIF | Al K0.92 Na0.08 O8 Si3 | C 1 2/m 1 | 8.5739; 12.9874; 7.2018 90; 116.042; 90 | 720.521 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Gemini RT Data, Sample H003 European Journal of Mineralogy, 2013, 25, 597-614 |
| 9017216 | CIF | Al K0.92 Na0.08 O8 Si3 | C 1 2/m 1 | 8.575; 12.984; 7.2008 90; 116.028; 90 | 720.41 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 293 K, Sample H003_RTend European Journal of Mineralogy, 2013, 25, 597-614 |
| 9017217 | CIF | Al K0.92 Na0.08 O8 Si3 | C 1 2/m 1 | 8.5752; 12.986; 7.2013 90; 116.023; 90 | 720.619 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 293 K, Sample H003_RT European Journal of Mineralogy, 2013, 25, 597-614 |
| 9017218 | CIF | Al K0.92 Na0.08 O8 Si3 | C 1 2/m 1 | 8.6159; 12.9806; 7.1991 90; 115.956; 90 | 723.93 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 600 K, Sample H003 European Journal of Mineralogy, 2013, 25, 597-614 |
| 9017219 | CIF | Al K0.92 Na0.08 O8 Si3 | C 1 2/m 1 | 8.6609; 12.977; 7.2003 90; 115.876; 90 | 728.124 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 900 K, Sample H003 European Journal of Mineralogy, 2013, 25, 597-614 |
| 9017220 | CIF | Al K0.92 Na0.08 O8 Si3 | C 1 2/m 1 | 8.6849; 12.9747; 7.203 90; 115.819; 90 | 730.638 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 1075 K, Sample H003 European Journal of Mineralogy, 2013, 25, 597-614 |
| 9017221 | CIF | Al1.04 Ba0.02 K0.4 Na0.58 O8 Si2.96 | C 1 2/m 1 | 8.3463; 12.9877; 7.1683 90; 116.18; 90 | 697.324 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Sample San40, cation-exchanged sanidine European Journal of Mineralogy, 2013, 25, 597-614 |
| 9017222 | CIF | Al Ba0.02 K0.98 O8 Si3 | C 1 2/m 1 | 8.6032; 13.0237; 7.1885 90; 115.994; 90 | 723.961 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Sample San100 European Journal of Mineralogy, 2013, 25, 597-614 |
| 9017223 | CIF | Al3.1 Ca2.5 Cl1.9 F2.1 Fe0.3 K6.5 Mg0.1 Na1.6 O29 Si9.6 | P m m n :2 | 7.0618; 38.42; 6.5734 90; 90; 90 | 1783.46 | Sharygin, V. V.; Pekov, I. V.; Zubkova, N. V.; Khomyakov, A. P.; Stoppa, F.; Pushcharovsky, D. Y. Umbrianite, K7Na2Ca2[Al3Si10O29]F2Cl2, a new mineral species from melilitolite of the Pian di Celle volcano, Umbria, Italy European Journal of Mineralogy, 2013, 25, 655-669 |
| 9017224 | CIF | Al0.38 As3 Ca0.73 Cu0.4 Fe0.9 K0.3 Mn0.13 Na1.69 O12 Zn0.32 | C 1 2/c 1 | 12.64; 13.007; 6.7 90; 113.828; 90 | 1007.64 | Krivovichev, S. V.; Vergasova, L. P.; Filatov, S. K.; rybin D S; Britvin, S. N.; Ananiev, V. V. Hatertite, Na2(Ca,Na)(Fe3+,Cu)2(AsO4)3, a new alluaudite-group mineral from Tolbachik fumaroles, Kamchatka peninsula, Russia European Journal of Mineralogy, 2013, 25, 683-691 |
| 9017225 | CIF | As Cu5 H8 O15 | P m n 21 | 3.0113; 14.259; 14.932 90; 90; 90 | 641.152 | Mills, S. J.; Kampf, A. R.; McDonald, A. M.; Bindi, L.; Christy, A. G.; Kolitsch, U.; Favreau, G. The crystal structure of parnauite: a copper arsenate-sulphate with translational disorder of structural rods European Journal of Mineralogy, 2013, 25, 693-704 |
| 9017226 | CIF | As0.5 Cu2.5 H2.15 O6.575 | P m n 21 | 3.0088; 14.212; 14.89 90; 90; 90 | 636.712 | Mills, S. J.; Kampf, A. R.; McDonald, A. M.; Bindi, L.; Christy, A. G.; Kolitsch, U.; Favreau, G. The crystal structure of parnauite: a copper arsenate-sulphate with translational disorder of structural rods European Journal of Mineralogy, 2013, 25, 693-704 |
| 9017227 | CIF | As Cu4.5 O15.25 S0.5 | P 1 1 21 | 6.02; 13.99; 15.42 90; 90; 90.01 | 1298.67 | Mills, S. J.; Kampf, A. R.; McDonald, A. M.; Bindi, L.; Christy, A. G.; Kolitsch, U.; Favreau, G. The crystal structure of parnauite: a copper arsenate-sulphate with translational disorder of structural rods Note: theoretical data European Journal of Mineralogy, 2013, 25, 693-704 |
| 9017228 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.2958; 7.2958; 15.396 90; 90; 90 | 819.509 | Knight, K. S.; Marshall, W. G.; Henderson, C. M. B.; Chamberlain, A. A. Equation of state and a high-pressure structural phase transition in the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Note: P = 4.13 GPa European Journal of Mineralogy, 2013, 25, 909-917 |
| 9017229 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4 21 2 (a-1/4,b+1/4,c) | 7.2623; 7.2623; 15.252 90; 90; 90 | 804.406 | Knight, K. S.; Marshall, W. G.; Henderson, C. M. B.; Chamberlain, A. A. Equation of state and a high-pressure structural phase transition in the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Note: P = 4.77 GPa European Journal of Mineralogy, 2013, 25, 909-917 |
| 9017230 | CIF | Pb5.38 S15.5 Sb6.62 | P -1 | 4.1192; 17.4167; 19.1664 96.127; 90.015; 91.229 | 1366.88 | Orlandi, P.; Biagioni, C.; Moelo, Y.; Bonaccorsi, E. Lead-antimony sulfosalts from Tuscany (Italy). XIV. Disulfodadsonite, Pb11Sb13S30(S2)0.5, a new mineral from the Ceragiola marble quarry, Apuan Alps: occurrence and crystal structure European Journal of Mineralogy, 2013, 25, 1005-1016 |
| 9017913 | CIF | Fe H7 O8 S | P -1 | 8.935; 11.631; 6.661 95.58; 90.28; 97.28 | 683.293 | Giacovazzo, C.; Menchetti, S. Sulla struttura della amarantite Rendiconti della Societa Italiana di Mineralogia e Petrologia, 1969, 25, 399-406 |
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