Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1510837 | CIF | B2 Ta0.5 Zr0.5 | P 6/m m m | 3.12; 3.12; 3.4 90; 90; 120 | 28.663 | Post, B.; Glaser, F.W.; Moskowitz, D. Transition metal diborides Acta Metallurgica, 1954, 2, 20-25 |
| 1510845 | CIF | B2 Ti0.5 Zr0.5 | P 6/m m m | 3.098; 3.098; 3.39 90; 90; 120 | 28.177 | Glaser, F.W.; Post, B.; Moskowitz, D. Transition metal diborides Acta Metallurgica, 1954, 2, 20-25 |
| 1510962 | CIF | B309.91 Cr7.55 | R -3 m :H | 10.9637; 10.9637; 23.9577 90; 90; 120 | 2493.96 | Andersson, S.; Lundstroem, T. The solubility of chromium in beta-rhombohedral boron as determined in Cr B41 by single-crystal diffractometry Journal of Solid State Chemistry, 1970, 2, 603-611 |
| 1511155 | CIF | B Fe2.25 Mg0.75 O5 | P b a m | 9.37; 12.357; 3.055 90; 90; 90 | 353.723 | Takeuchi, Y. The crystal structure of vonsenite Mineralogical Journal (Japan), 1956, 2, 19-26 |
| 1511275 | CIF | B O3 Sm | P 1 | 6.493; 6.499; 6.242 107.79; 107.42; 93.33 | 236.037 | Kuznetsova, V.G.; Dzhurinskii, B.F.; Palkina, K.K.; Butman, L.A. The crystal structure of Sm B O3 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1976, 2, 286-289 |
| 1511474 | CIF | B4 Li4 O24 Si8 | P 1 21 1 | 5.0448; 13.1688; 13.3933 90; 90.069; 90 | 889.769 | Parise, J.B.; Gier, T.E. Hydrothermal synthesis and structure of Li4 B4 Si8 O24 International Journal of Inorganic Materials, 2000, 2, 81-86 |
| 1511582 | CIF | B6 Co20 Mn3 | F m -3 m | 10.518; 10.518; 10.518 90; 90; 90 | 1163.59 | Kuz'ma, Yu.B.; Plakhina, A.M.; Chepiga, M.V. Phase equilibria in the Cr-Co-B, Mn-Fe-B, and Mn-Co-B systems Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1966, 2, 1038-1043 |
| 1511584 | CIF | B6 Co21 Re2 | F m -3 m | 10.513; 10.513; 10.513 90; 90; 90 | 1161.93 | Kuz'ma, Yu.B.; Voroshilov, Yu.V. New compounds with W2 Cr21 C6 -type structure in some ternary sytems with cobalt Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1966, 2, 652-653 |
| 1511587 | CIF | B6 Co21 W2 | F m -3 m | 10.498; 10.498; 10.498 90; 90; 90 | 1156.96 | Kuz'ma, Yu.B.; Voroshilov, Yu.V. New compounds with W2Cr21C6-type structure in some ternary sytems with cobalt Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.), 1966, 2, 652-653 |
| 1511617 | CIF | B4 Ce O12 Sc3 | R 3 2 :H | 9.796; 9.796; 7.96 90; 90; 120 | 661.517 | Reynolds, T.A.; Peterson, G.A.; Keszler, D.A. Stoichiometric, trigonal huntite borate Ce Sc3 (B O3)4 International Journal of Inorganic Materials, 2000, 2, 101-106 |
| 1511696 | CIF | B4 Co2 Mo | I m m m | 3.079; 12.57; 3.018 90; 90; 90 | 116.806 | Nych, O.V.; Skolozdra, R.V.; Kuz'ma, Yu.B. Molybdenum-cobalt-boron system Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1966, 2, 1709-1712 |
| 1511754 | CIF | B4 La O12 Sc3 | R 3 2 :H | 9.819; 9.819; 7.987 90; 90; 120 | 666.882 | Lu, S.-F.; He, M.-Y.; Chen, W.-Z.; Lin, Z.-B.; Wang, G.-F.; Wu, Q.-J. Structure of medium temperature phase beta-(La Sc3 (B O3)4) crystal Materials Research Innovation, 1999, 2, 345-348 |
| 1511755 | CIF | B4 La O12 Sc3 | C 1 c 1 | 7.74; 9.864; 12.066 90; 105.48; 90 | 887.789 | Wang, G.-F.; Lu, S.-F.; Chen, W.-Z.; Wu, Q.-J.; He, M.-Y.; Lin, Z.-B. Structure of low temperature phase gamma-(La Sc3 (B O3)4) crystal Materials Research Innovation, 1999, 2, 341-344 |
| 1511766 | CIF | C11 H24 Cl2 N2 O12 Ru | P n a 21 | 18.571; 7.464; 14.617 90; 90; 90 | 2026.1 | Rosario Vilaplana; M. Angustias Romero; Miguel Quirós; Juan M. Salas; Francisco González-Vílchez Synthesis, Structure and Antitumour Properties of a New 1,2-Propilenediaminetetraacetate-Ruthenium(III) Compound Metal Based Drugs, 1995, 2, 211-219 |
| 1512120 | CIF | Ba0.9 O3 Sr0.1 Ti | P 4 m m | 3.994; 3.994; 4.008 90; 90; 90 | 63.936 | Natheer B. Mahmood; Emad K. Al-Shakarchi; Brahim Elouadi Three Techniques Used to Produce BaTiO3 Fine Powder Journal of Modern Physics, 2011, 2, 1420-1428 |
| 1512121 | CIF | Ba0.8 O3 Sr0.2 Ti | P 4 m m | 3.989; 3.989; 3.995 90; 90; 90 | 63.569 | Natheer B. Mahmood; Emad K. Al-Shakarchi; Brahim Elouadi Three Techniques Used to Produce BaTiO3 Fine Powder Journal of Modern Physics, 2011, 2, 1420-1428 |
| 1512122 | CIF | Ba0.7 O3 Sr0.3 Ti | P 4 m m | 3.982; 3.982; 3.983 90; 90; 90 | 63.156 | Natheer, B. Mahmood; Emad, K. Al-Shakarchi; Brahim, Elouadi Three Techniques Used to Produce BaTiO3 Fine Powder Journal of Modern Physics, 2011, 2, 1420-1428 |
| 1512123 | CIF | Ba0.5 O3 Sr0.5 Ti | P m -3 m | 3.956; 3.956; 3.956 90; 90; 90 | 61.911 | Natheer, B. Mahmood; Emad, K. Al-Shakarchi; Brahim, Elouadi Three Techniques Used to Produce BaTiO3 Fine Powder Journal of Modern Physics, 2011, 2, 1420-1428 |
| 1512124 | CIF | O3 Sr Ti | P m -3 m | 3.899; 3.899; 3.899 90; 90; 90 | 59.273 | Natheer B. Mahmood; Emad K. Al-Shakarchi; Brahim Elouadi Three Techniques Used to Produce BaTiO3 Fine Powder Journal of Modern Physics, 2011, 2, 1420-1428 |
| 1512125 | CIF | Ba0.6 O3 Sr0.4 Ti | P m -3 m | 3.969; 3.969; 3.969 90; 90; 90 | 62.524 | Natheer B. Mahmood; Emad K. Al-Shakarchi; Brahim Elouadi Three Techniques Used to Produce BaTiO3 Fine Powder Journal of Modern Physics, 2011, 2, 1420-1428 |
| 1515411 | CIF | C21 H30 | P 1 21/c 1 | 9.5922; 7.2501; 24.0793 90; 95.81; 90 | 1665.98 | Bojase, Gomotsang; Nguyen, Thanh V.; Payne, Alan D.; Willis, Anthony C.; Sherburn, Michael S. Synthesis and properties of the ivyanes: the parent 1,1-oligocyclopropanes Chemical Science, 2011, 2, 229 |
| 1515412 | CIF | C24 H34 | P b c n | 10.5317; 13.1456; 13.7434 90; 90; 90 | 1902.71 | Bojase, Gomotsang; Nguyen, Thanh V.; Payne, Alan D.; Willis, Anthony C.; Sherburn, Michael S. Synthesis and properties of the ivyanes: the parent 1,1-oligocyclopropanes Chemical Science, 2011, 2, 229 |
| 1515414 | CIF | C12 H18 N2 O | P c c n | 21.8777; 24.4332; 8.9667 90; 90; 90 | 4793.1 | Andrews, Natalie J.; Haynes, Cally J. E.; Light, Mark E.; Moore, Stephen J.; Tong, Christine C.; Davis, Jeffery T.; Harrell Jr., William A.; Gale, Philip A. Structurally simple lipid bilayer transport agents for chloride and bicarbonate Chemical Science, 2011, 2, 256 |
| 1515415 | CIF | C14 H19 N3 S | I 41/a :2 | 29.2158; 29.2158; 7.5897 90; 90; 90 | 6478.3 | Andrews, Natalie J.; Haynes, Cally J. E.; Light, Mark E.; Moore, Stephen J.; Tong, Christine C.; Davis, Jeffery T.; Harrell Jr., William A.; Gale, Philip A. Structurally simple lipid bilayer transport agents for chloride and bicarbonate Chemical Science, 2011, 2, 256 |
| 1515416 | CIF | C50 H56 N4 O2 Pd | P 1 21/n 1 | 10.8887; 22.7188; 17.5682 90; 95.413; 90 | 4326.6 | Konnick, Michael M.; Decharin, Nattawan; Popp, Brian V.; Stahl, Shannon S. O2 insertion into a palladium(ii)-hydride bond: Observation of mechanistic crossover between HX-reductive-elimination and hydrogen-atom-abstraction pathways Chemical Science, 2011, 2, 326 |
| 1515417 | CIF | C100 H96 B Cl3 F24 N4 Ni2 | P -1 | 15.022; 18.047; 20.367 105.35; 111.153; 100.049 | 4736.7 | Laskowski, Carl A.; Hillhouse, Gregory L. Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands Chemical Science, 2011, 2, 321 |
| 1515418 | CIF | C91 H96 B Cl3 F24 N4 Ni2 Si | P -1 | 13.729; 17.963; 20.822 69.525; 73.169; 82.761 | 4603 | Laskowski, Carl A.; Hillhouse, Gregory L. Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands Chemical Science, 2011, 2, 321 |
| 1515419 | CIF | C88 H84 B Cl F24 N4 Ni2 O2 | P -1 | 12.531; 17.5339; 21.5138 106.672; 104.999; 91.05 | 4352 | Laskowski, Carl A.; Hillhouse, Gregory L. Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands Chemical Science, 2011, 2, 321 |
| 1515420 | CIF | C74 H69 B F24 N5 Ni | P 1 21/c 1 | 20.61; 12.802; 30.984 90; 95.837; 90 | 8132.7 | Laskowski, Carl A.; Hillhouse, Gregory L. Synthesis and carbene-transfer reactivity of dimeric nickel carbene cations supported by N-heterocyclic carbene ligands Chemical Science, 2011, 2, 321 |
| 1515421 | CIF | C22.27 H24.8 Cl0.47 N2 | P 1 21/c 1 | 12.378; 11.7627; 24.4212 90; 92.43; 90 | 3552.5 | Zhang, Chen; Das, Deepankar; Seidel, Daniel Azomethine ylide annulations: facile access to polycyclic ring systems Chemical Science, 2011, 2, 233 |
| 1515422 | CIF | C23 H26 N2 O2 | P 1 21/c 1 | 8.9485; 12.2725; 17.1292 90; 93.113; 90 | 1878.36 | Zhang, Chen; Das, Deepankar; Seidel, Daniel Azomethine ylide annulations: facile access to polycyclic ring systems Chemical Science, 2011, 2, 233 |
| 1515423 | CIF | C13 H17 Cl2 N5 O2 Pt | P -1 | 6.848; 11.736; 12.384 65.95; 79.94; 76.84 | 881.2 | Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility Chemical Science, 2011, 2, 216 |
| 1515424 | CIF | C13 H14.33 Cl2 N5 O0.67 Pt | P 1 21/c 1 | 12.588; 18.736; 20.805 90; 106.39; 90 | 4707.4 | Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility Chemical Science, 2011, 2, 216 |
| 1515425 | CIF | C13 H13 Cl2 N5 O4 Pt | P 1 21/c 1 | 10.669; 10.411; 15.689 90; 108.89; 90 | 1648.8 | Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility Chemical Science, 2011, 2, 216 |
| 1515426 | CIF | C13 H19 Cl2 N5 O3 Pt S | P 1 21/c 1 | 9.474; 7.1809; 27.9371 90; 91.94; 90 | 1899.52 | Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility Chemical Science, 2011, 2, 216 |
| 1515427 | CIF | C57 H65 F3 Si2 | P 1 21/c 1 | 14.7922; 17.7744; 18.0925 90; 98.265; 90 | 4707.52 | Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E. A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells Chemical Science, 2011, 2, 363 |
| 1515428 | CIF | C45 H53 F3 Si2 | P 1 21/c 1 | 9.0009; 12.9917; 33.9922 90; 96.2183; 90 | 3951.56 | Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E. A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells Chemical Science, 2011, 2, 363 |
| 1515429 | CIF | C44 H53 N O2 Si2 | P -1 | 7.3935; 7.7475; 17.3713 96.23; 100.619; 94.648 | 967.02 | Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E. A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells Chemical Science, 2011, 2, 363 |
| 1515430 | CIF | C45 H53 F3 Si2 | P -1 | 7.7521; 15.8341; 17.6273 70.941; 80.257; 81.988 | 2007.37 | Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E. A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells Chemical Science, 2011, 2, 363 |
| 1515431 | CIF | C45 H53 F3 Si2 | P 1 21/c 1 | 13.6256; 28.5329; 10.5392 90; 101.974; 90 | 4008.26 | Shu, Ying; Lim, Yee-Fun; Li, Zhong; Purushothaman, Balaji; Hallani, Rawad; Kim, Jo Eun; Parkin, Sean R.; Malliaras, George G.; Anthony, John E. A survey of electron-deficient pentacenes as acceptors in polymer bulk heterojunction solar cells Chemical Science, 2011, 2, 363 |
| 1515432 | CIF | C53 H51 O6 Ti | P -1 | 9.536; 10.7745; 21.214 87.903; 87.712; 88.606 | 2175.9 | Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N. Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides Chemical Science, 2011, 2, 331 |
| 1515433 | CIF | C43 H39 Cl3 D N O6 Ti | P -1 | 12.0648; 12.6467; 14.4497 109.368; 96.4954; 106.998 | 1934.4 | Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N. Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides Chemical Science, 2011, 2, 331 |
| 1515434 | CIF | C40 H29 Cl6 N5 O14 Ti | P -1 | 11.2931; 13.344; 15.1141 96.792; 102.423; 93.434 | 2200.11 | Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N. Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides Chemical Science, 2011, 2, 331 |
| 1515435 | CIF | C35 H34 Cl2 D2 N2 O6 Ti | P 1 21/n 1 | 12.3148; 13.2234; 20.372 90; 94.795; 90 | 3305.8 | Kongprakaiwoot, Natcharee; Quiroz-Guzman, Mauricio; Oliver, Allen G.; Brown, Seth N. Gauging electronic dissymmetry in bis-chelates of titanium(iv) using sterically and electronically variable 2,2′-biphenoxides Chemical Science, 2011, 2, 331 |
| 1515436 | CIF | C21 H18 O2 S | P 1 21 1 | 11.6322; 5.663; 13.3325 90; 102.479; 90 | 857.51 | Liu, Yu; Ma, Shengming Unique reactivity of Grignard reagents towards cyclopropenyl-carboxylates—highly selective carbon–carbon bond cleavage Chemical Science, 2011, 2, 811 |
| 1515437 | CIF | C24 H21 I O4 S | P -1 | 10.4567; 14.5947; 16.071 82.184; 80.017; 70.323 | 2266.47 | Liu, Yu; Ma, Shengming Unique reactivity of Grignard reagents towards cyclopropenyl-carboxylates—highly selective carbon‒carbon bond cleavage Chemical Science, 2011, 2, 811 |
| 1515438 | CIF | C36 H31 F3 N Ni O3 | P 1 21/n 1 | 13.992; 11.424; 18.291 90; 101.06; 90 | 2869.4 | Vogt, Matthias; de Bruin, Bas; Berke, Heinz; Trincado, Mónica; Grützmacher, Hansjörg Amino olefin nickel(i) and nickel(0) complexes as dehydrogenation catalysts for amine boranes Chemical Science, 2011, 2, 723 |
| 1515439 | CIF | C48 H38 N Ni P | P -1 | 11.413; 12.0679; 14.4208 98.677; 95.682; 114.432 | 1758.7 | Vogt, Matthias; de Bruin, Bas; Berke, Heinz; Trincado, Mónica; Grützmacher, Hansjörg Amino olefin nickel(i) and nickel(0) complexes as dehydrogenation catalysts for amine boranes Chemical Science, 2011, 2, 723 |
| 1515440 | CIF | C12 H8 Cl N O2 S2 | P 1 21/n 1 | 13.4561; 7.103; 13.8346 90; 109.73; 90 | 1244.7 | Belenguer, Ana M.; Friščić, Tomislav; Day, Graeme M.; Sanders, Jeremy K. M. Solid-state dynamic combinatorial chemistry: reversibility and thermodynamic product selection in covalent mechanosynthesis Chemical Science, 2011, 2, 696 |
| 1515441 | CIF | C14 H14 S2 | P 1 21 1 | 7.6164; 5.7256; 14.7508 90; 94.881; 90 | 640.93 | Belenguer, Ana M.; Friščić, Tomislav; Day, Graeme M.; Sanders, Jeremy K. M. Solid-state dynamic combinatorial chemistry: reversibility and thermodynamic product selection in covalent mechanosynthesis Chemical Science, 2011, 2, 696 |
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