Crystallography Open Database
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Searching journal of publication like 'IUCrJ' volume of publication is 4
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1544749 | CIF | C10 Cl8 | P 1 21/n 1 | 9.7188; 7.1598; 18.2787 90; 98.358; 90 | 1258.41 | Sarkar, Sounak; Row, Tayur N. Guru A heuristic approach to evaluate <i>peri</i> interactions <i>versus</i> intermolecular interactions in an overcrowded naphthalene IUCrJ, 2017, 4 |
| 1544782 | CIF | C30 H30 N4 O2 S2 Zn | F d d 2 | 36.662; 37.055; 5.1092 90; 90; 90 | 6940.9 | Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J. Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes IUCrJ, 2017, 4 |
| 1544783 | CIF | C28 H26 F2 N4 O6 S2 Zn | P 1 2/n 1 | 14.871; 4.9627; 20.315 90; 93.183; 90 | 1496.9 | Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J. Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes IUCrJ, 2017, 4 |
| 1544784 | CIF | C28 H20 F2 N4 S2 Zn | P 1 21/c 1 | 10.3095; 12.2083; 20.7566 90; 96.68; 90 | 2594.72 | Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J. Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes IUCrJ, 2017, 4 |
| 1544785 | CIF | C28 H20 F2 N4 S2 Zn | P n m a | 8.276; 24.824; 12.523 90; 90; 90 | 2573 | Mulijanto, Caroline Evania; Quah, Hong Sheng; Tan, Geok Kheng; Donnadieu, Bruno; Vittal, Jagadese J. Curved crystal morphology, photoreactivity and photosalient behaviour of mononuclear Zn(II) complexes IUCrJ, 2017, 4 |
| 1545111 | CIF | Ba | P 21/b 1 1 | 11.608; 11.634; 4.634 90; 90; 90 | 625.81 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545112 | CIF | Ba | P 21/b 1 1 | 11.6146; 11.6256; 4.6341 90; 90; 90 | 625.727 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545113 | CIF | Ba | P 21/b 1 1 | 11.5313; 11.6527; 4.6109 90; 90; 90 | 619.57 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545114 | CIF | Ba | P 21/b 1 1 | 11.5457; 11.5882; 4.599 90; 90; 90 | 615.318 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545115 | CIF | Ba | P 21/b 1 1 | 11.4996; 11.5527; 4.6035 90; 90; 90 | 611.582 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545116 | CIF | Ba | P 21/b 1 1 | 11.439; 11.53; 4.5937 90; 90; 90 | 605.9 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
| 1545241 | CIF | C14 H8 O6 Pb S | P n m a | 5.874; 13.082; 19.297 90; 90; 90 | 1482.85 | Alkordi, Mohamed H.; Belmabkhout, Youssef; Cairns, Amy; Eddaoudi, Mohamed Metal‒organic frameworks for H~2~ and CH~4~ storage: insights on the pore geometry‒sorption energetics relationship IUCrJ, 2017, 4, 131-135 |
| 1545537 | CIF | C26 H23 Cl N2 O7 | P 1 21/c 1 | 23.14; 5.19; 21.2642 90; 111.714; 90 | 2372.5 | Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini Acemetacin cocrystal structures by powder X-ray diffraction IUCrJ, 2017, 4 |
| 1545538 | CIF | C27 H26 Cl N3 O8 | P -1 | 21.348; 4.1931; 15.2174 90.567; 101.4; 89.473 | 1335.2 | Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini Acemetacin cocrystal structures by powder X-ray diffraction IUCrJ, 2017, 4 |
| 1545539 | CIF | C27 H24 Cl N3 O7 | P 1 21/c 1 | 4.8977; 40.914; 12.8874 90; 100.328; 90 | 2540.6 | Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini Acemetacin cocrystal structures by powder X-ray diffraction IUCrJ, 2017, 4 |
| 1545540 | CIF | C28 H25 Cl N2 O8 | P 1 21 1 | 17.2939; 4.8191; 16.9544 90; 113.529; 90 | 1295.5 | Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini Acemetacin cocrystal structures by powder X-ray diffraction IUCrJ, 2017, 4 |
| 1545541 | CIF | C26 H27 Cl N2 O7 | P -1 | 11.7638; 20.5548; 5.1627 89.543; 93.3; 96.276 | 1238.8 | Bolla, Geetha; Chernyshev, Vladimir; Nangia, Ashwini Acemetacin cocrystal structures by powder X-ray diffraction IUCrJ, 2017, 4 |
| 1545680 | CIF Paper | C14 H10 Cl2 N2 O2 | P -1 | 8.4492; 9.1167; 9.1545 81.461; 77.033; 80.551 | 673.27 | Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4 |
| 1545681 | CIF Paper | C14 H10 Cl2 N2 O2 | P -1 | 8.3558; 12.7516; 13.0135 78.05; 77.167; 88.734 | 1322.24 | Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4 |
| 1545682 | CIF Paper | C14 H10 Cl2 N2 O2 | P -1 | 7.2798; 13.2794; 14.5473 87.618; 80.816; 75.707 | 1345.3 | Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4 |
| 1545683 | CIF | C14 H10 Cl2 N2 O2 | P -1 | 7.4309; 13.296; 14.694 87.6; 80.034; 75.859 | 1386.5 | Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4 |
| 1545684 | CIF | C14 H10 Br2 N2 O2 | P -1 | 8.3928; 9.2815; 9.3877 81.62; 75.049; 81.589 | 694.45 | Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4 |
| 1545685 | CIF | C14 H10 I2 N2 O2 | P -1 | 8.4678; 9.6066; 9.6522 81.239; 84.45; 72.336 | 738.36 | Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals IUCrJ, 2017, 4 |
| 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 |
| 1546267 | CIF | C12 H8 Cl5 N O | P -1 | 7.316; 8.942; 11.763 70.15; 84.67; 76.24 | 703 | 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 |
| 1546268 | CIF | C12 H8 Cl5 N O | P -1 | 7.389; 8.922; 12.014 69.82; 85.61; 76.26 | 722.1 | 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 |
| 1546269 | CIF | C12 H8 Cl5 N O | P -1 | 7.3382; 8.8986; 11.8245 69.945; 85.055; 76.133 | 704.17 | 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 |
| 1546270 | CIF | C12 H8 Cl5 N O | P -1 | 7.3857; 8.9202; 12.0227 69.77; 85.869; 76.324 | 722.1 | 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 |
| 1546475 | CIF | C3 H10 O11 Sm | P 1 21/c 1 | 11.5863; 9.608; 10.1371 90; 118.906; 90 | 987.88 | Matvienko, Alexander A.; Maslennikov, Daniel V.; Zakharov, Boris A.; Sidelnikov, Anatoly A.; Chizhik, Stanislav A.; Boldyreva, Elena V. Structural aspects of displacive transformations: what can optical microscopy contribute? Dehydration of Sm~2~(C~2~O~4~)~3~·10H~2~O as a case study IUCrJ, 2017, 4 |
| 1546476 | CIF | C3 H6 O9 Sm | P 1 21/c 1 | 8.4368; 9.7963; 9.4986 90; 90.393; 90 | 785.04 | Matvienko, Alexander A.; Maslennikov, Daniel V.; Zakharov, Boris A.; Sidelnikov, Anatoly A.; Chizhik, Stanislav A.; Boldyreva, Elena V. Structural aspects of displacive transformations: what can optical microscopy contribute? Dehydration of Sm~2~(C~2~O~4~)~3~·10H~2~O as a case study IUCrJ, 2017, 4 |
| 1546775 | CIF | B2 Ca O8 Si2 | P n a m | 6.8576; 8.1526; 7.7457 90; 90; 90 | 433.04 | Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite IUCrJ, 2017, 4 |
| 1546776 | CIF | B2 Ca O8 Si2 | P n a m | 6.3537; 7.9518; 8.0112 90; 90; 90 | 404.75 | Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite IUCrJ, 2017, 4 |
| 1546777 | CIF | B2 Ca O8 Si2 | P -1 | 5.479; 5.532; 6.681 91.74; 104.57; 95.59 | 194.7 | Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite IUCrJ, 2017, 4 |
| 1546778 | CIF | B4 Ca2 O16 Si4 | P 1 21/c 1 | 7.9989; 7.8697; 6.249 90; 89.75; 90 | 393.4 | Pakhomova, Anna; Bykova, Elena; Bykov, Maxim; Glazyrin, Konstantin; Gasharova, Biliana; Liermann, Hanns-Peter; Mezouar, Mohamed; Gorelova, Liudmila; Krivovichev, Sergey; Dubrovinsky, Leonid A closer look into close packing: pentacoordinated silicon in a high-pressure polymorph of danburite IUCrJ, 2017, 4 |
| 1546928 | CIF | C2 D5 N O2 | I 1 | 5.1; 6.285; 5.4295 85.815; 114.456; 104.136 | 153.545 | Bull, Craig L.; Flowitt-Hill, Giles; de Gironcoli, Stefano; Küçükbenli, Emine; Parsons, Simon; Pham, Cong Huy; Playford, Helen Y.; Tucker, Matthew G. ζ-Glycine: insight into the mechanism of a polymorphic phase transition IUCrJ, 2017, 4, 569-574 |
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