Crystallography Open Database
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2300292 | CIF Paper | Ni0.9 O Zn0.1 | R -3 m :H | 2.95546; 2.95546; 7.2665 90; 90; 120 | 54.968 | Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O Journal of Applied Crystallography, 2010, 43, 699-709 |
2300293 | CIF Paper | Ni0.9 O Zn0.1 | R -3 m :H | 2.96064; 2.96064; 7.2592 90; 90; 120 | 55.105 | Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O Journal of Applied Crystallography, 2010, 43, 699-709 |
2300294 | CIF Paper | Ni0.9 O Zn0.1 | R -3 m :H | 2.9607; 2.9607; 7.25817 90; 90; 120 | 55.0994 | Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O Journal of Applied Crystallography, 2010, 43, 699-709 |
2300295 | CIF Paper | Fe2 Ni O4 | F d -3 m :2 | 8.35966; 8.35966; 8.35966 90; 90; 90 | 584.206 | Kremenović, Aleksandar; Antić, Bratislav; Vučinić-Vasić, Milica; Colomban, Philippe; Jovalekić, Čedomir; Bibić, Nataša; Kahlenberg, Volker; Leoni, Matteo Temperature-induced structure and microstructure evolution of nanostructured Ni~0.9~Zn~0.1~O Journal of Applied Crystallography, 2010, 43, 699-709 |
2300296 | CIF Paper | O2 Zr | P 1 21/c 1 | 5.1477; 5.2096; 5.3164 90; 99.215; 90 | 140.732 | Suzuki-Muresan, T.; Deniard, P.; Gautron, E.; Petříček, V.; Jobic, S.; Grambow, B. Minimization of absorption contrast for accurate amorphous phase quantification: application to ZrO~2~ nanoparticles Journal of Applied Crystallography, 2010, 43, 1092-1099 |
2300297 | CIF Paper | O1.985 Y0.03 Zr0.97 | P 42/n m c S | 3.6244; 3.6244; 5.156 90; 90; 90 | 67.731 | Suzuki-Muresan, T.; Deniard, P.; Gautron, E.; Petříček, V.; Jobic, S.; Grambow, B. Minimization of absorption contrast for accurate amorphous phase quantification: application to ZrO~2~ nanoparticles Journal of Applied Crystallography, 2010, 43, 1092-1099 |
2300298 | CIF Paper | O1.985 Y0.03 Zr0.97 | P 42/n m c S | 3.6132; 3.6132; 5.1649 90; 90; 90 | 67.429 | Suzuki-Muresan, T.; Deniard, P.; Gautron, E.; Petříček, V.; Jobic, S.; Grambow, B. Minimization of absorption contrast for accurate amorphous phase quantification: application to ZrO~2~ nanoparticles Journal of Applied Crystallography, 2010, 43, 1092-1099 |
2300299 | CIF Paper | Sb10 Te3 | R -3 m :H | 4.289; 4.289; 75.51 90; 90; 120 | 1202.9 | Schneider, Matthias N.; Seibald, Markus; Lagally, Patrick; Oeckler, Oliver Ambiguities in the structure determination of antimony tellurides arising from almost homometric structure models and stacking disorder Journal of Applied Crystallography, 2010, 43, 1012-1020 |
2300300 | CIF | Pb0.18 Sb7.82 Te3 | R -3 m :H | 4.2874; 4.2874; 64.3 90; 90; 120 | 1023.6 | Schneider, Matthias N.; Seibald, Markus; Lagally, Patrick; Oeckler, Oliver Ambiguities in the structure determination of antimony tellurides arising from almost homometric structure models and stacking disorder Journal of Applied Crystallography, 2010, 43, 1012-1020 |
2300301 | CIF | C6 H6 Cl N O6 | P 1 21/c 1 | 5.5046; 13.574; 17.423 90; 137.919; 90 | 872.5 | Ye, Heng-Yun; Cai, Hong-Ling; Ge, Jia-Zeng; Xiong, Ren-Gen Reversible structural phase transition of pyridinium-4-carboxylic acid perchlorate Journal of Applied Crystallography, 2010, 43, 1031-1035 |
2300302 | CIF | C6 H6 Cl N O6 | P 1 21/c 1 | 17.356; 13.241; 16.161 90; 138.055; 90 | 2482.5 | Ye, Heng-Yun; Cai, Hong-Ling; Ge, Jia-Zeng; Xiong, Ren-Gen Reversible structural phase transition of pyridinium-4-carboxylic acid perchlorate Journal of Applied Crystallography, 2010, 43, 1031-1035 |
2300303 | CIF Paper | C6 H6 N2 O2 | P c a 21 | 18.7169; 6.5215; 5.0014 90; 90; 90 | 610.48 | Probert, Michael R.; Robertson, Craig M.; Coome, Jonathan A.; Howard, Judith A. K.; Michell, Brian C.; Goeta, Andrés E. The XIPHOS diffraction facility for extreme sample conditions Journal of Applied Crystallography, 2010, 43, 1415-1418 |
2300304 | CIF Paper | C14 H14 O2 S | P -1 | 4.736; 10.819; 12.206 89.727; 78.904; 89.977 | 613.7 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300305 | CIF Paper | C14 H14 O2 S | C 1 2/c 1 | 24.003; 4.7435; 10.8255 90; 90.185; 90 | 1232.6 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300306 | CIF Paper | C14 H14 O2 S | C 1 2/c 1 | 24.012; 4.7429; 10.8321 90; 90.197; 90 | 1233.6 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300307 | CIF Paper | C14 H11 F N2 S | P 1 21/c 1 | 10.1; 11.365; 11.3 90; 97.464; 90 | 1286.1 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300309 | CIF Paper | C14 H11 F N2 S | P 1 21/c 1 | 10.1414; 11.3865; 11.3289 90; 97.4; 90 | 1297.31 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300310 | CIF Paper | C14 H11 F N2 S | P 1 21/c 1 | 10.1385; 11.3898; 11.3325 90; 97.467; 90 | 1297.5 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300311 | CIF Paper | C14 H11 F N2 S | P 1 21/c 1 | 10.1375; 11.3871; 11.3412 90; 97.482; 90 | 1298 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300312 | CIF Paper | C14 H11 F N2 S | P 1 21/c 1 | 10.137; 11.413; 11.345 90; 97.465; 90 | 1301.4 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300313 | CIF Paper | C17 H20 Cl2 N2 Pd | P 1 21/c 1 | 9.356; 9.9295; 19.357 90; 90.47; 90 | 1798.2 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300314 | CIF Paper | C17 H20 Cl2 N2 Pd | P 1 21/c 1 | 9.356; 9.9295; 19.357 90; 90.47; 90 | 1798.2 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300315 | CIF Paper | C16 H18 Cl2 N2 Pd | P -1 | 8.5305; 9.6211; 10.988 72.593; 78.78; 83.039 | 842.2 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300316 | CIF Paper | C16 H18 Cl2 N2 Pd | P -1 | 8.5305; 9.6211; 10.988 72.593; 78.78; 83.039 | 842.2 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300317 | CIF Paper | C13 H10 O S | P 1 21/n 1 | 8.007; 16.958; 8.031 90; 95.097; 90 | 1086.2 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300318 | CIF Paper | C13 H10 O S | P 1 21/n 1 | 8.007; 16.958; 8.031 90; 95.097; 90 | 1086.2 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300319 | CIF Paper | C12 H16 O3 | P 1 21/c 1 | 8.894; 16.22; 7.742 90; 90.214; 90 | 1116.9 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300320 | CIF Paper | C12 H16 O3 | P 1 21/c 1 | 8.894; 16.22; 7.742 90; 90.214; 90 | 1116.9 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300321 | CIF Paper | C13 H18 N2 O3 S | P 1 21/c 1 | 12.8651; 15.3291; 7.1435 90; 93.379; 90 | 1406.3 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300322 | CIF Paper | C13 H18 N2 O3 S | P 1 21/c 1 | 12.8651; 15.3291; 7.1435 90; 93.379; 90 | 1406.3 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300323 | CIF Paper | C21 H21 N O3 S2 | P 1 21/c 1 | 11.7771; 11.4544; 14.9031 90; 95.945; 90 | 1999.6 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300324 | CIF Paper | C21 H21 N O3 S2 | P 1 21/c 1 | 11.7937; 11.4816; 14.9358 90; 95.972; 90 | 2011.5 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300325 | CIF Paper | C21 H21 N O3 S2 | P 1 21/c 1 | 11.7937; 11.4816; 14.9358 90; 95.972; 90 | 2011.5 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300326 | CIF Paper | C13 H10 F2 O S | P c a 21 | 8.3649; 5.5063; 25.129 90; 90; 90 | 1157.4 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300327 | CIF Paper | C15 H12 N2 O | P 1 21/n 1 | 7.55; 11.186; 13.954 90; 92.938; 90 | 1176.9 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300328 | CIF Paper | C13 H10 I N O2 S | P -1 | 7.4946; 7.7421; 11.4816 95.418; 103.879; 96.985 | 636.65 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300329 | CIF Paper | C13 H10 I N O2 S | P -1 | 7.5076; 7.76; 11.507 95.317; 103.999; 97.013 | 640.4 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300330 | CIF Paper | C13 H10 I N O2 S | P -1 | 7.5076; 7.76; 11.507 95.317; 103.999; 97.013 | 640.4 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300331 | CIF Paper | C7 H5 N O3 S | P 1 21/c 1 | 9.583; 6.9252; 11.8518 90; 103.815; 90 | 763.78 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300332 | CIF Paper | C7 H5 N O3 S | P 1 21/c 1 | 9.6083; 6.9347; 11.882 90; 103.834; 90 | 768.7 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300333 | CIF Paper | C7 H0 N O3 S | P 1 21/c 1 | 9.6083; 6.9347; 11.882 90; 103.834; 90 | 768.7 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300334 | CIF Paper | C6 H5 I N2 O2 | P 1 21/c 1 | 7.7617; 12.912; 15.663 90; 95.141; 90 | 1563.4 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300335 | CIF Paper | C12 H6 I2 N4 O4 | P 1 21/c 1 | 7.7617; 12.912; 15.663 90; 95.141; 90 | 1563.4 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300336 | CIF Paper | C15 H14 N2 O2 S | P 21 21 21 | 7.7598; 9.9684; 18.231 90; 90; 90 | 1410.2 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300338 | CIF Paper | C15 H14 N2 O2 S | P 21 21 21 | 7.7592; 9.9677; 18.23 90; 90; 90 | 1409.9 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300339 | CIF Paper | C17 H23 N3 O5 S2 | P 1 21/n 1 | 7.811; 17.503; 15.892 90; 103.305; 90 | 2114 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300341 | CIF Paper | C17 H23 N3 O5 S2 | P 1 21/n 1 | 7.811; 17.503; 15.892 90; 103.305; 90 | 2114 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300342 | CIF Paper | C7 H12 N4 O3 S | P 1 21 1 | 5.6095; 7.3299; 12.491 90; 93.297; 90 | 512.74 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300344 | CIF Paper | C7 H12 N4 O3 S | P 1 21 1 | 5.6245; 7.354; 12.521 90; 93.445; 90 | 517 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300345 | CIF Paper | C7 H8 N4 O S | P 1 21 1 | 5.6245; 7.354; 12.521 90; 93.445; 90 | 517 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300346 | CIF Paper | C25 H22 N O P S | P -1 | 10.2699; 11.1605; 11.1911 85.945; 67.75; 70.671 | 1118.07 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300347 | CIF Paper | C25 H22 N O P S | P -1 | 10.2699; 11.1605; 11.1911 85.945; 67.75; 70.671 | 1118.07 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300348 | CIF Paper | C13 H13 N O2 S | P -1 | 10.259; 11.05; 13.38 67.808; 87.291; 67.435 | 1288.4 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300349 | CIF Paper | C13 H13 N O2 S | P -1 | 10.289; 11.0563; 13.4402 67.823; 87.573; 67.616 | 1299.9 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300351 | CIF Paper | C13 H12 N O2 S | P -1 | 10.289; 11.0563; 13.4402 67.823; 87.573; 67.616 | 1299.9 | Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E. Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist? Journal of Applied Crystallography, 2011, 44, 213-215 |
2300352 | CIF Paper | Fe Li O4 P | P n m a | 10.4008; 6.0523; 4.7324 90; 90; 90 | 297.91 | Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles Journal of Applied Crystallography, 2011, 44, 287-294 |
2300353 | CIF Paper | Fe0.75 Li Mn0.25 O4 P | P n m a | 10.3789; 6.0394; 4.7211 90; 90; 90 | 295.931 | Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles Journal of Applied Crystallography, 2011, 44, 287-294 |
2300354 | CIF Paper | Fe0.5 Li Mn0.5 O4 P | P n m a | 10.4072; 6.06188; 4.73357 90; 90; 90 | 298.628 | Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles Journal of Applied Crystallography, 2011, 44, 287-294 |
2300355 | CIF Paper | Fe0.25 Li Mn0.75 O4 P | P n m a | 10.4303; 6.08084; 4.74531 90; 90; 90 | 300.971 | Jensen, Kirsten; Christensen, Mogens; Tyrsted, Christoffer; Brummerstedt Iversen, Bo Real-time synchrotron powder X-ray diffraction study of the antisite defect formation during sub- and supercritical synthesis of LiFePO~4~ and LiFe~1{-~<i>x</i>}Mn~<i>x~</i>PO~4~ nanoparticles Journal of Applied Crystallography, 2011, 44, 287-294 |
2300356 | CIF Paper | C2 H6 O6 | P 1 21/n 1 | 6.0514; 3.5482; 11.996 90; 106.26; 90 | 247.27 | Chakoumakos, Bryan C.; Cao, Huibo; Ye, Feng; Stoica, Alexandru D.; Popovici, Mihai; Sundaram, Madhan; Zhou, Wenduo; Hicks, J. Steve; Lynn, Gary W.; Riedel, Richard A. Four-circle single-crystal neutron diffractometer at the High Flux Isotope Reactor Journal of Applied Crystallography, 2011, 44, 655-658 |
2300357 | CIF Paper | C6 H24 N8 Ni O6 | P 63 2 2 | 8.8647; 8.8647; 11.3595 90; 90; 120 | 773.07 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
2300358 | CIF Paper | C6 H24 N8 Ni O6 | P 63 2 2 | 8.8647; 8.8647; 11.3595 90; 90; 120 | 773.07 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
2300359 | CIF Paper | C6 H24 N8 Ni O6 | P 61 2 2 | 8.806; 8.806; 33.147 90; 90; 120 | 2226 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
2300360 | CIF Paper | C6 H24 N8 Ni O6 | P 61 2 2 | 8.806; 8.806; 33.147 90; 90; 120 | 2226 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
2300361 | CIF Paper | C6 H24 N8 Ni O6 | P 63 2 2 | 8.8647; 8.8647; 11.3595 90; 90; 120 | 773.07 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
2300362 | CIF Paper | C8 H14 N2 O8 | C 1 2/c 1 | 15.805; 5.6535; 12.126 90; 107.55; 90 | 1033.1 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
2300363 | CIF Paper | C8 H14 N2 O8 | C 1 2/c 1 | 15.8205; 5.68202; 12.09246 90; 107.333; 90 | 1037.66 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
2300364 | CIF Paper | C8 H14 N2 O8 | C 1 2/c 1 | 15.82035; 5.68088; 12.09343 90; 107.332; 90 | 1037.53 | Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem Journal of Applied Crystallography, 2011, 44, 763-771 |
2300365 | CIF HKL | Ge O2 | P 31 2 1 | 4.989; 4.989; 5.6527 90; 90; 120 | 121.847 | Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals Journal of Applied Crystallography, 2012, 45, 272-278 |
2300366 | CIF | Ge0.97 O2 Si0.03 | P 32 2 1 | 4.983; 4.983; 5.6339 90; 90; 120 | 121.149 | Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals Journal of Applied Crystallography, 2012, 45, 272-278 |
2300367 | CIF | Ge0.96 O2 Si0.04 | P 31 2 1 | 4.9805; 4.9805; 5.627 90; 90; 120 | 120.88 | Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals Journal of Applied Crystallography, 2012, 45, 272-278 |
2300368 | CIF HKL | Ge0.9 O2 Si0.1 | P 32 2 1 | 4.97517; 4.97517; 5.60565 90; 90; 120 | 120.163 | Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals Journal of Applied Crystallography, 2012, 45, 272-278 |
2300369 | CIF HKL | Ge0.83 O2 Si0.17 | P 31 2 1 | 4.9707; 4.9707; 5.5873 90; 90; 120 | 119.555 | Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals Journal of Applied Crystallography, 2012, 45, 272-278 |
2300370 | CIF | O2 Si | P 32 2 1 | 4.91636; 4.91636; 5.4084 90; 90; 120 | 113.211 | Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals Journal of Applied Crystallography, 2012, 45, 272-278 |
2300371 | CIF HKL Paper | C9 H13 N3 O5 | P 21 21 21 | 5.0784; 13.9046; 14.6992 90; 90; 90 | 1037.96 | Coome, J. A.; Goeta, A. E.; Howard, J. A. K.; Probert, M. R. <i>Masquerade</i>: removing non-sample scattering from integrated reflection intensities Journal of Applied Crystallography, 2012, 45, 292-298 |
2300372 | CIF HKL Paper | C17 H14 O | P b c a | 15.4307; 10.2659; 16.4124 90; 90; 90 | 2599.9 | Rajasekar, M.; Muthu, K.; Bhagavannarayana, G.; Meenakshisundaram, S. P. Synthesis, structure, growth and characterization of an organic crystal: 1,5-diphenylpenta-2,4-dien-1-one Journal of Applied Crystallography, 2012, 45, 914-920 |
2300373 | CIF Paper | H18 O12 S | I 1 2 1 | 7.44247; 7.445; 26.1168 90; 125.043; 90 | 1184.78 | Maynard-Casely, Helen E.; Brand, Helen E. A.; Wallwork, Kia S. Structure and thermal expansion of sulfuric acid octahydrate Journal of Applied Crystallography, 2012, 45, 1198-1207 |
2300374 | CIF Paper | C25 H30 N4 O3 | P 21 21 21 | 35.9422; 12.91819; 4.99532 90; 90; 90 | 2319.37 | Bushmarinov, Ivan S.; Dmitrienko, Artem O.; Korlyukov, Alexander A.; Antipin, Mikhail Yu. Rietveld refinement and structure verification using `Morse' restraints Journal of Applied Crystallography, 2012, 45, 1187-1197 |
2300375 | CIF Paper | Al2 O3 | R -3 c :H | 4.76029; 4.76029; 12.992 90; 90; 120 | 254.96 | Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi Journal of Applied Crystallography, 2013, 46, 14-24 |
2300376 | CIF Paper | Ni Si | P 21 3 | 4.49678; 4.49678; 4.49678 90; 90; 90 | 90.9295 | Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi Journal of Applied Crystallography, 2013, 46, 14-24 |
2300377 | CIF Paper | Ni Si | P m m n :2 | 3.2735; 3.02662; 4.69776 90; 90; 90 | 46.544 | Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi Journal of Applied Crystallography, 2013, 46, 14-24 |
2300378 | CIF | Ag3 Mg | F m -3 m | 4.1526; 4.1526; 4.1526 90; 90; 90 | 71.608 | Laine, E.; Tarne, T.; Haemaelaeinen, M. Thermal expansion of the Ag3 Mg alloy in the ordered and disordered states Journal of Applied Crystallography, 1969, 2, 95-101 |
2300379 | CIF | B Lu O3 | R -3 c :H | 4.9153; 4.9153; 16.212 90; 90; 120 | 339.209 | Bernstein, J.L.; Keve, E.T.; Abrahams, S.C. Application of Normal Probability Plot Analysis to Lutetium Orthoborate Structure Factors and Parameters Journal of Applied Crystallography, 1971, 4, 284-290 |
2300380 | CIF Paper | C15 H4 Cu2 O10 | F m -3 m | 26.3034; 26.3034; 26.3034 90; 90; 90 | 18198.5 | Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai Generation and applications of structure envelopes for porous metal‒organic frameworks Journal of Applied Crystallography, 2013, 46, 346-353 |
2300381 | CIF Paper | C33 H4 Cu2 O10 | F m -3 m | 26.3167; 26.3167; 26.3167 90; 90; 90 | 18226.1 | Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai Generation and applications of structure envelopes for porous metal‒organic frameworks Journal of Applied Crystallography, 2013, 46, 346-353 |
2300382 | CIF Paper | C8.5 H7 Cu N5 O2 | C 1 2/c 1 | 28.697; 9.2637; 9.3223 90; 116.087; 90 | 2225.8 | Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai Generation and applications of structure envelopes for porous metal‒organic frameworks Journal of Applied Crystallography, 2013, 46, 346-353 |
2300383 | CIF Paper | C356 H32 Y4 | C m c 21 | 11.22205; 34.8174; 11.22569 90; 90; 90 | 4386.13 | Maki, Sachiko; Nishibori, Eiji; Kawaguchi, Daisuke; Sakata, Makoto; Takata, Masaki; Inoue, Takashi; Shinohara, Hisanori Element-selective charge density visualization of endohedral metallofullerenes using synchrotron X-ray multi-wavelength anomalous powder diffraction data Journal of Applied Crystallography, 2013, 46, 649-655 |
2300384 | CIF HKL | C13 H10 O | P 21 21 21 | 7.979; 10.274; 12.103 90; 90; 90 | 992.2 | Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H. Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone Journal of Applied Crystallography, 2013, 46, 656-662 |
2300385 | CIF HKL | C13 H10 O | P 21 21 21 | 7.7145; 10.2301; 12.0269 90; 90; 90 | 949.2 | Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H. Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone Journal of Applied Crystallography, 2013, 46, 656-662 |
2300386 | CIF | C13 H10 O | P 21 21 21 | 7.9958; 10.2907; 12.174 90; 90; 90 | 1001.7 | Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H. Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone Journal of Applied Crystallography, 2013, 46, 656-662 |
2300387 | CIF HKL Paper | B3 Ba5 F O9 | P n m a | 7.60788; 14.8299; 10.2865 90; 90; 90 | 1160.57 | Rashchenko, Sergey V.; Bekker, Tatyana B.; Bakakin, Vladimir V.; Seryotkin, Yurii V.; Kokh, Alexander E.; Gille, Peter; Popov, Arthur I.; Fedorov, Pavel P. A new mechanism of anionic substitution in fluoride borates Journal of Applied Crystallography, 2013, 46, 1081-1084 |
2300388 | CIF Paper | As0.84 Cu1.08 Mn0.94 | P 4/n m m :2 | 3.82; 3.82; 6.318 90; 90; 90 | 92.2 | Wadley, P.; Crespi, A.; Gázquez, J.; Roldán, M.A.; García, P.; Novak, V.; Campion, R.; Jungwirth, T.; Rinaldi, C.; Martí, X.; Holy, V.; Frontera, C.; Rius, J. Obtaining the structure factors for an epitaxial film using Cu X-ray radiation Journal of Applied Crystallography, 2013, 46, 1749-1754 |
2300389 | CIF | C33 H33 N3 O6 Pd S3 | P 1 21/c 1 | 8.5627; 10.4508; 35.5429 90; 94.294; 90 | 3171.7 | Coles, Simon J.; Hursthouse, Michael B. Focusing optics for molybdenum radiation: a bright laboratory source for small-molecule crystallography Journal of Applied Crystallography, 2004, 37, 988 |
2300390 | CIF | C33 H33 N3 O6 Pd S3 | P 1 21/c 1 | 8.5467; 10.4343; 35.4794 90; 94.325; 90 | 3155 | Coles, Simon J.; Hursthouse, Michael B. Focusing optics for molybdenum radiation: a bright laboratory source for small-molecule crystallography Journal of Applied Crystallography, 2004, 37, 988 |
2300391 | CIF | B12 Cs2 Li2 O20 | I -4 2 d | 10.467; 10.467; 8.922 90; 90; 90 | 977.48 | Herreros-Cedrés, Javier; Hernández-Rodriguez, Cecilio; Kaminsky, Werner Absolute optical rotation of CsLiB6O10 Journal of Applied Crystallography, 2005, 38, 544 |
2300392 | CIF | C10 H16 N O1.5 | P 21 21 21 | 7.3188; 11.2018; 24.0156 90; 90; 90 | 1968.89 | Krebs, Frederik C.; Jørgensen, Mikkel; Lebech, Bente; Frydenvang, Karla A perdeuterated cryoprotectant for neutron studies and a demonstration of its use for neutron powder diffraction onL-(−)-ephedrine hemihydrate Journal of Applied Crystallography, 2001, 34, 203 |
2300393 | CIF | C10 H16 N O1.5 | P 21 21 21 | 7.3105; 11.1878; 23.979 90; 90; 90 | 1961.2 | Krebs, Frederik C.; Jørgensen, Mikkel; Lebech, Bente; Frydenvang, Karla A perdeuterated cryoprotectant for neutron studies and a demonstration of its use for neutron powder diffraction onL-(−)-ephedrine hemihydrate Journal of Applied Crystallography, 2001, 34, 203 |
2300442 | CIF | Gd K O8 W2 | C 1 2/c 1 | 10.652; 10.374; 7.582 90; 130.8; 90 | 634.2 | Pujol, M. C.; Solé, R.; Massons, J.; Gavaldà, Jna.; Solans, X.; Zaldo, C.; Díaz, F.; Aguiló, M. Structural study of monoclinic KGd(WO4)2and effects of lanthanide substitution Journal of Applied Crystallography, 2001, 34, 1 |
2300443 | CIF | C12 H24 B2 F8 Fe N24 | P 1 21/n 1 | 17.566; 10.0964; 18.696 90; 114.458; 90 | 3018.3 | Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp X-ray structure study of the light-induced metastable states of the spin-crossover compound [Fe(mtz)6](BF4)2 Journal of Applied Crystallography, 2001, 34, 229 |
2300444 | CIF | C12 H24 B2 F8 Fe N24 | P 1 21/n 1 | 17.4887; 10.0914; 18.517 90; 115.243; 90 | 2955.9 | Kusz, Joachim; Spiering, Hartmut; Gütlich, Philipp X-ray structure study of the light-induced metastable states of the spin-crossover compound [Fe(mtz)6](BF4)2 Journal of Applied Crystallography, 2001, 34, 229 |
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