Crystallography Open Database
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Result: there are 1146 entries in the selection
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Searching journal of publication like 'IuCrJ'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1545868 | CIF | C123 H113.6 I12 N24 O12.14 Zn6 | P -1 | 14.8303; 17.913; 29.8943 96.803; 93.488; 110.229 | 7355 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545869 | CIF | C123 H112.85 I11.99 N24 O12.39 Zn5.99 | P -1 | 14.8303; 17.913; 29.8943 96.803; 93.488; 110.229 | 7355 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545870 | CIF | C71.25 H57.96 Br1.92 I6 N12 Zn3 | C 1 2/c 1 | 35.8691; 14.8864; 31.2823 90; 102.711; 90 | 16294.2 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1545871 | CIF | C60.92 H58.15 I6 N12 O5.89 Zn3 | C 1 2/c 1 | 34.0465; 14.9235; 30.8377 90; 100.629; 90 | 15399.6 | Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ, 2016, 3, 139-151 |
| 1546012 | CIF Paper | C12 H10 Cl I O4 | P 1 21/c 1 | 12.232; 12.7073; 17.15 90; 103.5; 90 | 2592.1 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546013 | CIF | C12 H10 F6 I P | P 1 21/n 1 | 5.9721; 12.9442; 18.387 90; 96.195; 90 | 1413.1 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546014 | CIF | C33 H22 Cl2 F18 I2 O3 | P -1 | 11.7183; 13.4322; 14.8978 113.429; 107.498; 101.366 | 1913 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546015 | CIF | C36 H24 B0.5 Br5.5 F8 | P 43 3 2 | 15.4248; 15.4248; 15.4248 90; 90; 90 | 3669.9 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546016 | CIF | C36 H24 B Br3 Cl2 F10 | P 41 3 2 | 15.2905; 15.2905; 15.2905 90; 90; 90 | 3574.9 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546017 | CIF | C14 H12 B Br F4 O2 | P -1 | 8.1574; 10.0848; 10.157 89.158; 72.819; 66.607 | 727.64 | Cavallo, Gabriella; Murray, Jane S.; Politzer, Peter; Pilati, Tullio; Ursini, Maurizio; Resnati, Giuseppe Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts IUCrJ, 2017, 4 |
| 1546113 | CIF | C24 H18 B F10 N | P -4 21 c | 22.206; 22.206; 8.692 90; 90; 90 | 4286.1 | Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine Validation of experimental charge-density refinement strategies: when do we overfit? IUCrJ, 2017, 4 |
| 1546114 | CIF | C24 H18 B F10 N | P -4 21 c | 22.206; 22.206; 8.692 90; 90; 90 | 4286.1 | Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine Validation of experimental charge-density refinement strategies: when do we overfit? IUCrJ, 2017, 4 |
| 1546115 | CIF | C20 H23 P S | P b c a | 10.9323; 14.5698; 21.091 90; 90; 90 | 3359.4 | Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine Validation of experimental charge-density refinement strategies: when do we overfit? IUCrJ, 2017, 4 |
| 1546116 | CIF | C20 H23 P S | P b c a | 10.932; 14.57; 21.091 90; 90; 90 | 3359.4 | Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine Validation of experimental charge-density refinement strategies: when do we overfit? IUCrJ, 2017, 4 |
| 1546261 | CIF | C14 H15 N3 O4 | C 1 2/c 1 | 28.685; 6.783; 13.975 90; 94.175; 90 | 2712 | Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R. Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering IUCrJ, 2017, 4 |
| 1546262 | CIF | C14 H15 N3 O4 | C 1 2/c 1 | 28.86; 6.791; 14.243 90; 95.4097; 90 | 2779 | Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R. Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering IUCrJ, 2017, 4 |
| 1546263 | CIF | C14 H13 N3 O6 | P 1 21/c 1 | 8.439; 14.091; 12.167 90; 95.5; 90 | 1440.2 | Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R. Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering IUCrJ, 2017, 4 |
| 1546264 | CIF | C14 H13 N3 O6 | P 1 21/c 1 | 8.574; 14.346; 12.19 90; 94.44; 90 | 1495 | Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R. Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering IUCrJ, 2017, 4 |
| 1546265 | CIF | C14 H14 N2 O4 | P -1 | 6.631; 7.032; 14.216 87.967; 88.58; 80.207 | 652.7 | Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R. Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering IUCrJ, 2017, 4 |
| 1546266 | CIF | C14 H14 N2 O4 | P -1 | 6.7302; 7.1859; 14.298 88.158; 88.34; 78.636 | 677.4 | Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R. Exploring the salt‒cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering IUCrJ, 2017, 4 |
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